data_1
_audit_creation_date               2020-04-23
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number       '2018/3'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Bourhis, L.J., Dolomanov, O.V., Gildea, R.J., Howard, J.A.K., Puschmann, H.
 (2015). Acta Cryst. A71, 59-75.

Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C36 H42 Br2 N4 O2 Zn2'
_chemical_formula_sum              'C36 H42 Br2 N4 O2 Zn2'
_chemical_formula_weight           853.29
_chemical_melting_point            ?
_chemical_oxdiff_formula           'C H N O Zn'
_chemical_oxdiff_usercomment       WX-450
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Br' 'Br' -0.2901 2.4595
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Zn' 'Zn' 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system        'monoclinic'
_space_group_IT_number             14
_space_group_name_H-M_alt          'P 1 21/c 1'
_space_group_name_Hall             '-P 2ybc'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'

_cell_length_a                     12.7361(5)
_cell_length_b                     9.8452(2)
_cell_length_c                     27.552(3)
_cell_angle_alpha                  90
_cell_angle_beta                   91.026(7)
_cell_angle_gamma                  90
_cell_volume                       3454.2(4)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      3960
_cell_measurement_temperature      293(2)
_cell_measurement_theta_max        22.4620
_cell_measurement_theta_min        3.2280
_shelx_estimated_absorpt_T_max     0.507
_shelx_estimated_absorpt_T_min     0.390
_exptl_absorpt_coefficient_mu      3.741
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.80132
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              colourless
_exptl_crystal_colour_primary      colourless
_exptl_crystal_density_diffrn      1.641
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               1728
_exptl_crystal_size_max            0.31
_exptl_crystal_size_mid            0.22
_exptl_crystal_size_min            0.21
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.1526
_diffrn_reflns_av_unetI/netI       0.1233
_diffrn_reflns_Laue_measured_fraction_full  0.984
_diffrn_reflns_Laue_measured_fraction_max  0.977
_diffrn_reflns_limit_h_max         16
_diffrn_reflns_limit_h_min         -15
_diffrn_reflns_limit_k_max         12
_diffrn_reflns_limit_k_min         -12
_diffrn_reflns_limit_l_max         35
_diffrn_reflns_limit_l_min         -35
_diffrn_reflns_number              29500
_diffrn_reflns_point_group_measured_fraction_full  0.984
_diffrn_reflns_point_group_measured_fraction_max  0.977
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           26.999
_diffrn_reflns_theta_min           2.710
_diffrn_ambient_temperature        293(2)
_diffrn_detector_area_resol_mean   16.2542
_diffrn_measured_fraction_theta_full  0.984
_diffrn_measured_fraction_theta_max  0.977
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega    8.00   64.25   0.7500  180.0000
omega____ theta____ kappa____ phi______ frames
    -       17.7173   77.0000  -90.0000 75

#__ type_ start__ end____ width___ exp.time_
  2 omega  -11.00   50.50   0.7500  180.0000
omega____ theta____ kappa____ phi______ frames
    -       17.7173   77.0000   90.0000 82
;
_diffrn_measurement_device_type    'Xcalibur, Eos, Gemini'
_diffrn_measurement_method         'ω scans'
_diffrn_orient_matrix_UB_11        -0.0147817000
_diffrn_orient_matrix_UB_12        -0.0207834000
_diffrn_orient_matrix_UB_13        -0.0040074000
_diffrn_orient_matrix_UB_21        0.0088006000
_diffrn_orient_matrix_UB_22        -0.0071944000
_diffrn_orient_matrix_UB_23        0.0117716000
_diffrn_orient_matrix_UB_31        -0.0137413000
_diffrn_orient_matrix_UB_32        0.0001231000
_diffrn_orient_matrix_UB_33        0.0118742000
_diffrn_radiation_monochromator    graphite
_diffrn_radiation_type             MoK\a
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  4576
_reflns_number_total               7371
_reflns_odcompleteness_completeness  99.71
_reflns_odcompleteness_iscentric   1
_reflns_odcompleteness_theta       26.32
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics      'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement    'ShelXL (Sheldrick, 2015)'
_computing_structure_solution      'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max           0.883
_refine_diff_density_min           -1.162
_refine_diff_density_rms           0.152
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     0.980
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       415
_refine_ls_number_reflns           7371
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.1134
_refine_ls_R_factor_gt             0.0637
_refine_ls_restrained_S_all        0.980
_refine_ls_shift/su_max            0.000
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0519P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1253
_refine_ls_wR_factor_ref           0.1501
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C13B(H13A,H13B), C12B(H12A,H12B), C14B(H14A,H14B), C18B(H18A,H18B), C13A(H13C,
 H13D), C12A(H12C,H12D), C18A(H18C,H18D), C14A(H14C,H14D), C15B(H15A,H15B),
 C17A(H17A,H17B), C17B(H17C,H17D), C15A(H15C,H15D), C16B(H16A,H16B), C16A(H16C,
 H16D)
2.b Aromatic/amide H refined with riding coordinates:
 C11B(H11B), C11A(H11A), C2B(H2B), C8B(H8B), C8A(H8A), C7B(H7B), C7A(H7A),
 C4B(H4B), C2A(H2A), C5B(H5B), C3B(H3B), C5A(H5A), C3A(H3A), C4A(H4A)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       iterative
_atom_sites_solution_secondary     ?
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 Br2 Br 0.23085(5) 0.30446(6) 0.27866(2) 0.03053(17) Uani 1 1 d . . . . .
 Br1 Br 0.29501(5) 0.67011(6) 0.24294(2) 0.03232(17) Uani 1 1 d . . . . .
 Zn1B Zn 0.39919(5) 0.41434(7) 0.25746(2) 0.02727(18) Uani 1 1 d . . . . .
 Zn1A Zn 0.12688(5) 0.56706(7) 0.26450(2) 0.02964(19) Uani 1 1 d . . . . .
 O1B O 0.3788(3) 0.3539(4) 0.19209(13) 0.0283(9) Uani 1 1 d . . . . .
 O1A O 0.1495(3) 0.6370(4) 0.32841(14) 0.0351(10) Uani 1 1 d . . . . .
 N1B N 0.5426(3) 0.4737(4) 0.24228(15) 0.0224(10) Uani 1 1 d . . . . .
 N2B N 0.4474(4) 0.4432(4) 0.32936(15) 0.0257(10) Uani 1 1 d . . . . .
 N1A N -0.0169(4) 0.5202(5) 0.28030(15) 0.0280(11) Uani 1 1 d . . . . .
 N2A N 0.0770(4) 0.5304(5) 0.19334(15) 0.0285(11) Uani 1 1 d . . . . .
 C11B C 0.5858(4) 0.4766(5) 0.20052(18) 0.0243(12) Uani 1 1 d . . . . .
 H11B H 0.654779 0.507385 0.199335 0.029 Uiso 1 1 calc R . . . .
 C13B C 0.5312(5) 0.5473(5) 0.32464(19) 0.0269(13) Uani 1 1 d . . . . .
 H13A H 0.569406 0.555108 0.355289 0.032 Uiso 1 1 calc R . . . .
 H13B H 0.499199 0.634610 0.317559 0.032 Uiso 1 1 calc R . . . .
 C12B C 0.6075(4) 0.5125(5) 0.28498(17) 0.0238(12) Uani 1 1 d . . . . .
 H12A H 0.651064 0.590294 0.277552 0.029 Uiso 1 1 calc R . . . .
 H12B H 0.652578 0.437804 0.294988 0.029 Uiso 1 1 calc R . . . .
 C14B C 0.4885(5) 0.3067(6) 0.34543(18) 0.0296(13) Uani 1 1 d . . . . .
 H14A H 0.541492 0.276982 0.322920 0.036 Uiso 1 1 calc R . . . .
 H14B H 0.431482 0.241419 0.344079 0.036 Uiso 1 1 calc R . . . .
 C10B C 0.5364(4) 0.4361(5) 0.15541(19) 0.0238(12) Uani 1 1 d . . . . .
 C1B C 0.5942(5) 0.4515(6) 0.11032(19) 0.0274(13) Uani 1 1 d . . . . .
 C11A C -0.0626(5) 0.5323(6) 0.3220(2) 0.0305(13) Uani 1 1 d . . . . .
 H11A H -0.132689 0.506258 0.323525 0.037 Uiso 1 1 calc R . . . .
 C9B C 0.4367(5) 0.3750(5) 0.15438(19) 0.0286(13) Uani 1 1 d . . . . .
 C9A C 0.0891(5) 0.6346(6) 0.36609(19) 0.0287(13) Uani 1 1 d . . . . .
 C2B C 0.6921(5) 0.5169(7) 0.1073(2) 0.0422(17) Uani 1 1 d . . . . .
 H2B H 0.722487 0.553782 0.135273 0.051 Uiso 1 1 calc R . . . .
 C18B C 0.3684(5) 0.4917(6) 0.36491(19) 0.0338(14) Uani 1 1 d . . . . .
 H18A H 0.308315 0.431181 0.364044 0.041 Uiso 1 1 calc R . . . .
 H18B H 0.344207 0.581401 0.355328 0.041 Uiso 1 1 calc R . . . .
 C13A C -0.0106(5) 0.4321(6) 0.1993(2) 0.0308(14) Uani 1 1 d . . . . .
 H13C H 0.018195 0.343411 0.207166 0.037 Uiso 1 1 calc R . . . .
 H13D H -0.049577 0.424328 0.168881 0.037 Uiso 1 1 calc R . . . .
 C12A C -0.0848(5) 0.4750(6) 0.2389(2) 0.0366(15) Uani 1 1 d . . . . .
 H12C H -0.129672 0.548608 0.227741 0.044 Uiso 1 1 calc R . . . .
 H12D H -0.128629 0.399364 0.248482 0.044 Uiso 1 1 calc R . . . .
 C18A C 0.1535(5) 0.4733(6) 0.15915(19) 0.0356(15) Uani 1 1 d . . . . .
 H18C H 0.172445 0.382422 0.169727 0.043 Uiso 1 1 calc R . . . .
 H18D H 0.216638 0.528337 0.160283 0.043 Uiso 1 1 calc R . . . .
 C8B C 0.3941(5) 0.3282(6) 0.1086(2) 0.0340(14) Uani 1 1 d . . . . .
 H8B H 0.327168 0.290514 0.107342 0.041 Uiso 1 1 calc R . . . .
 C10A C -0.0134(5) 0.5830(6) 0.3659(2) 0.0314(14) Uani 1 1 d . . . . .
 C14A C 0.0425(5) 0.6663(6) 0.1763(2) 0.0395(16) Uani 1 1 d . . . . .
 H14C H 0.101955 0.727753 0.177624 0.047 Uiso 1 1 calc R . . . .
 H14D H -0.010086 0.700826 0.198140 0.047 Uiso 1 1 calc R . . . .
 C6B C 0.5507(5) 0.3978(6) 0.0661(2) 0.0340(15) Uani 1 1 d . . . . .
 C15B C 0.5359(6) 0.3076(7) 0.3965(2) 0.0429(17) Uani 1 1 d . . . . .
 H15A H 0.598190 0.364437 0.397134 0.051 Uiso 1 1 calc R . . . .
 H15B H 0.557115 0.216126 0.405346 0.051 Uiso 1 1 calc R . . . .
 C1A C -0.0741(5) 0.5877(6) 0.4109(2) 0.0351(14) Uani 1 1 d . . . . .
 C8A C 0.1330(5) 0.6921(7) 0.4095(2) 0.0412(16) Uani 1 1 d . . . . .
 H8A H 0.201076 0.726301 0.409541 0.049 Uiso 1 1 calc R . . . .
 C17A C 0.1128(6) 0.4666(7) 0.1069(2) 0.0469(18) Uani 1 1 d . . . . .
 H17A H 0.168070 0.433498 0.086203 0.056 Uiso 1 1 calc R . . . .
 H17B H 0.054632 0.403143 0.104749 0.056 Uiso 1 1 calc R . . . .
 C7B C 0.4497(5) 0.3380(6) 0.0671(2) 0.0392(16) Uani 1 1 d . . . . .
 H7B H 0.420421 0.304319 0.038409 0.047 Uiso 1 1 calc R . . . .
 C7A C 0.0763(6) 0.6973(7) 0.4505(2) 0.0472(18) Uani 1 1 d . . . . .
 H7A H 0.106556 0.735533 0.478232 0.057 Uiso 1 1 calc R . . . .
 C6A C -0.0275(6) 0.6467(6) 0.4526(2) 0.0404(16) Uani 1 1 d . . . . .
 C17B C 0.4127(6) 0.4982(7) 0.4168(2) 0.0429(17) Uani 1 1 d . . . . .
 H17C H 0.357382 0.525252 0.438508 0.052 Uiso 1 1 calc R . . . .
 H17D H 0.467376 0.566737 0.418534 0.052 Uiso 1 1 calc R . . . .
 C4B C 0.7011(6) 0.4697(8) 0.0212(2) 0.056(2) Uani 1 1 d . . . . .
 H4B H 0.737229 0.473043 -0.007774 0.067 Uiso 1 1 calc R . . . .
 C2A C -0.1763(6) 0.5376(8) 0.4152(2) 0.0513(19) Uani 1 1 d . . . . .
 H2A H -0.207688 0.494513 0.388625 0.062 Uiso 1 1 calc R . . . .
 C5B C 0.6069(6) 0.4090(7) 0.0231(2) 0.0477(18) Uani 1 1 d . . . . .
 H5B H 0.577741 0.373058 -0.005308 0.057 Uiso 1 1 calc R . . . .
 C3B C 0.7448(6) 0.5281(8) 0.0636(2) 0.056(2) Uani 1 1 d . . . . .
 H3B H 0.808601 0.573865 0.062487 0.067 Uiso 1 1 calc R . . . .
 C15A C -0.0037(6) 0.6654(7) 0.1243(2) 0.055(2) Uani 1 1 d . . . . .
 H15C H -0.067465 0.611570 0.123193 0.066 Uiso 1 1 calc R . . . .
 H15D H -0.021231 0.757327 0.114431 0.066 Uiso 1 1 calc R . . . .
 C5A C -0.0867(7) 0.6553(8) 0.4959(2) 0.058(2) Uani 1 1 d . . . . .
 H5A H -0.056052 0.693998 0.523494 0.069 Uiso 1 1 calc R . . . .
 C16B C 0.4584(6) 0.3606(7) 0.4337(2) 0.0506(19) Uani 1 1 d . . . . .
 H16A H 0.493884 0.371682 0.464904 0.061 Uiso 1 1 calc R . . . .
 H16B H 0.402010 0.295536 0.437530 0.061 Uiso 1 1 calc R . . . .
 C16A C 0.0767(7) 0.6052(8) 0.0893(2) 0.063(2) Uani 1 1 d . . . . .
 H16C H 0.045142 0.596958 0.057125 0.076 Uiso 1 1 calc R . . . .
 H16D H 0.136688 0.665520 0.087202 0.076 Uiso 1 1 calc R . . . .
 C3A C -0.2323(7) 0.5498(9) 0.4574(3) 0.069(2) Uani 1 1 d . . . . .
 H3A H -0.301046 0.518410 0.458730 0.082 Uiso 1 1 calc R . . . .
 C4A C -0.1851(7) 0.6091(8) 0.4978(3) 0.065(2) Uani 1 1 d . . . . .
 H4A H -0.222159 0.616782 0.526451 0.078 Uiso 1 1 calc R . . . .


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 Br2 Zn1B 2.4806(8) . ?
 Br2 Zn1A 2.9276(9) . ?
 Br1 Zn1B 2.8709(9) . ?
 Br1 Zn1A 2.4521(9) . ?
 Zn1B O1B 1.910(3) . ?
 Zn1B N1B 1.970(5) . ?
 Zn1B N2B 2.083(4) . ?
 Zn1A O1A 1.908(4) . ?
 Zn1A N1A 1.945(5) . ?
 Zn1A N2A 2.082(4) . ?
 O1B C9B 1.301(6) . ?
 O1A C9A 1.303(6) . ?
 N1B C11B 1.284(6) . ?
 N1B C12B 1.476(6) . ?
 N2B C13B 1.488(7) . ?
 N2B C14B 1.506(7) . ?
 N2B C18B 1.495(7) . ?
 N1A C11A 1.302(7) . ?
 N1A C12A 1.487(7) . ?
 N2A C13A 1.488(7) . ?
 N2A C18A 1.478(7) . ?
 N2A C14A 1.482(7) . ?
 C11B H11B 0.9300 . ?
 C11B C10B 1.439(7) . ?
 C13B H13A 0.9700 . ?
 C13B H13B 0.9700 . ?
 C13B C12B 1.514(7) . ?
 C12B H12A 0.9700 . ?
 C12B H12B 0.9700 . ?
 C14B H14A 0.9700 . ?
 C14B H14B 0.9700 . ?
 C14B C15B 1.523(7) . ?
 C10B C1B 1.463(7) . ?
 C10B C9B 1.406(8) . ?
 C1B C2B 1.407(8) . ?
 C1B C6B 1.429(8) . ?
 C11A H11A 0.9300 . ?
 C11A C10A 1.442(8) . ?
 C9B C8B 1.440(7) . ?
 C9A C10A 1.401(8) . ?
 C9A C8A 1.428(8) . ?
 C2B H2B 0.9300 . ?
 C2B C3B 1.392(8) . ?
 C18B H18A 0.9700 . ?
 C18B H18B 0.9700 . ?
 C18B C17B 1.528(8) . ?
 C13A H13C 0.9700 . ?
 C13A H13D 0.9700 . ?
 C13A C12A 1.516(8) . ?
 C12A H12C 0.9700 . ?
 C12A H12D 0.9700 . ?
 C18A H18C 0.9700 . ?
 C18A H18D 0.9700 . ?
 C18A C17A 1.522(8) . ?
 C8B H8B 0.9300 . ?
 C8B C7B 1.358(8) . ?
 C10A C1A 1.473(8) . ?
 C14A H14C 0.9700 . ?
 C14A H14D 0.9700 . ?
 C14A C15A 1.539(8) . ?
 C6B C7B 1.415(9) . ?
 C6B C5B 1.400(8) . ?
 C15B H15A 0.9700 . ?
 C15B H15B 0.9700 . ?
 C15B C16B 1.527(9) . ?
 C1A C6A 1.410(8) . ?
 C1A C2A 1.399(9) . ?
 C8A H8A 0.9300 . ?
 C8A C7A 1.353(8) . ?
 C17A H17A 0.9700 . ?
 C17A H17B 0.9700 . ?
 C17A C16A 1.517(9) . ?
 C7B H7B 0.9300 . ?
 C7A H7A 0.9300 . ?
 C7A C6A 1.415(9) . ?
 C6A C5A 1.425(9) . ?
 C17B H17C 0.9700 . ?
 C17B H17D 0.9700 . ?
 C17B C16B 1.544(9) . ?
 C4B H4B 0.9300 . ?
 C4B C5B 1.343(10) . ?
 C4B C3B 1.407(9) . ?
 C2A H2A 0.9300 . ?
 C2A C3A 1.381(9) . ?
 C5B H5B 0.9300 . ?
 C3B H3B 0.9300 . ?
 C15A H15C 0.9700 . ?
 C15A H15D 0.9700 . ?
 C15A C16A 1.537(10) . ?
 C5A H5A 0.9300 . ?
 C5A C4A 1.335(11) . ?
 C16B H16A 0.9700 . ?
 C16B H16B 0.9700 . ?
 C16A H16C 0.9700 . ?
 C16A H16D 0.9700 . ?
 C3A H3A 0.9300 . ?
 C3A C4A 1.384(10) . ?
 C4A H4A 0.9300 . ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 Zn1B Br2 Zn1A 88.53(3) . . ?
 Zn1A Br1 Zn1B 90.39(3) . . ?
 Br2 Zn1B Br1 90.92(3) . . ?
 O1B Zn1B Br2 89.00(12) . . ?
 O1B Zn1B Br1 94.99(12) . . ?
 O1B Zn1B N1B 90.19(16) . . ?
 O1B Zn1B N2B 166.44(17) . . ?
 N1B Zn1B Br2 171.12(13) . . ?
 N1B Zn1B Br1 97.96(13) . . ?
 N1B Zn1B N2B 84.44(17) . . ?
 N2B Zn1B Br2 94.39(13) . . ?
 N2B Zn1B Br1 98.08(13) . . ?
 Br1 Zn1A Br2 90.16(3) . . ?
 O1A Zn1A Br2 97.78(13) . . ?
 O1A Zn1A Br1 87.49(12) . . ?
 O1A Zn1A N1A 90.35(17) . . ?
 O1A Zn1A N2A 166.03(18) . . ?
 N1A Zn1A Br2 100.72(13) . . ?
 N1A Zn1A Br1 169.10(14) . . ?
 N1A Zn1A N2A 84.09(18) . . ?
 N2A Zn1A Br2 95.85(13) . . ?
 N2A Zn1A Br1 95.55(13) . . ?
 C9B O1B Zn1B 129.3(4) . . ?
 C9A O1A Zn1A 130.3(4) . . ?
 C11B N1B Zn1B 127.6(4) . . ?
 C11B N1B C12B 117.8(5) . . ?
 C12B N1B Zn1B 114.5(3) . . ?
 C13B N2B Zn1B 102.1(3) . . ?
 C13B N2B C14B 113.2(5) . . ?
 C13B N2B C18B 109.2(4) . . ?
 C14B N2B Zn1B 104.7(3) . . ?
 C18B N2B Zn1B 118.5(3) . . ?
 C18B N2B C14B 109.1(4) . . ?
 C11A N1A Zn1A 127.8(4) . . ?
 C11A N1A C12A 116.1(5) . . ?
 C12A N1A Zn1A 115.9(4) . . ?
 C13A N2A Zn1A 103.0(3) . . ?
 C18A N2A Zn1A 118.2(4) . . ?
 C18A N2A C13A 109.1(4) . . ?
 C18A N2A C14A 109.7(4) . . ?
 C14A N2A Zn1A 103.0(3) . . ?
 C14A N2A C13A 113.8(5) . . ?
 N1B C11B H11B 117.3 . . ?
 N1B C11B C10B 125.4(5) . . ?
 C10B C11B H11B 117.3 . . ?
 N2B C13B H13A 109.2 . . ?
 N2B C13B H13B 109.2 . . ?
 N2B C13B C12B 112.2(4) . . ?
 H13A C13B H13B 107.9 . . ?
 C12B C13B H13A 109.2 . . ?
 C12B C13B H13B 109.2 . . ?
 N1B C12B C13B 106.1(4) . . ?
 N1B C12B H12A 110.5 . . ?
 N1B C12B H12B 110.5 . . ?
 C13B C12B H12A 110.5 . . ?
 C13B C12B H12B 110.5 . . ?
 H12A C12B H12B 108.7 . . ?
 N2B C14B H14A 108.9 . . ?
 N2B C14B H14B 108.9 . . ?
 N2B C14B C15B 113.4(5) . . ?
 H14A C14B H14B 107.7 . . ?
 C15B C14B H14A 108.9 . . ?
 C15B C14B H14B 108.9 . . ?
 C11B C10B C1B 119.1(5) . . ?
 C9B C10B C11B 121.1(5) . . ?
 C9B C10B C1B 119.7(5) . . ?
 C2B C1B C10B 123.9(5) . . ?
 C2B C1B C6B 116.7(5) . . ?
 C6B C1B C10B 119.4(5) . . ?
 N1A C11A H11A 117.4 . . ?
 N1A C11A C10A 125.2(6) . . ?
 C10A C11A H11A 117.4 . . ?
 O1B C9B C10B 125.2(5) . . ?
 O1B C9B C8B 116.0(5) . . ?
 C10B C9B C8B 118.7(5) . . ?
 O1A C9A C10A 124.5(5) . . ?
 O1A C9A C8A 115.6(5) . . ?
 C10A C9A C8A 119.8(5) . . ?
 C1B C2B H2B 119.0 . . ?
 C3B C2B C1B 121.9(6) . . ?
 C3B C2B H2B 119.0 . . ?
 N2B C18B H18A 109.1 . . ?
 N2B C18B H18B 109.1 . . ?
 N2B C18B C17B 112.6(5) . . ?
 H18A C18B H18B 107.8 . . ?
 C17B C18B H18A 109.1 . . ?
 C17B C18B H18B 109.1 . . ?
 N2A C13A H13C 109.2 . . ?
 N2A C13A H13D 109.2 . . ?
 N2A C13A C12A 112.1(5) . . ?
 H13C C13A H13D 107.9 . . ?
 C12A C13A H13C 109.2 . . ?
 C12A C13A H13D 109.2 . . ?
 N1A C12A C13A 105.9(5) . . ?
 N1A C12A H12C 110.6 . . ?
 N1A C12A H12D 110.6 . . ?
 C13A C12A H12C 110.6 . . ?
 C13A C12A H12D 110.6 . . ?
 H12C C12A H12D 108.7 . . ?
 N2A C18A H18C 108.8 . . ?
 N2A C18A H18D 108.8 . . ?
 N2A C18A C17A 113.7(5) . . ?
 H18C C18A H18D 107.7 . . ?
 C17A C18A H18C 108.8 . . ?
 C17A C18A H18D 108.8 . . ?
 C9B C8B H8B 119.3 . . ?
 C7B C8B C9B 121.4(6) . . ?
 C7B C8B H8B 119.3 . . ?
 C11A C10A C1A 119.3(5) . . ?
 C9A C10A C11A 121.3(5) . . ?
 C9A C10A C1A 119.3(5) . . ?
 N2A C14A H14C 108.9 . . ?
 N2A C14A H14D 108.9 . . ?
 N2A C14A C15A 113.3(5) . . ?
 H14C C14A H14D 107.7 . . ?
 C15A C14A H14C 108.9 . . ?
 C15A C14A H14D 108.9 . . ?
 C7B C6B C1B 118.4(5) . . ?
 C5B C6B C1B 119.7(6) . . ?
 C5B C6B C7B 121.8(6) . . ?
 C14B C15B H15A 109.3 . . ?
 C14B C15B H15B 109.3 . . ?
 C14B C15B C16B 111.8(6) . . ?
 H15A C15B H15B 107.9 . . ?
 C16B C15B H15A 109.3 . . ?
 C16B C15B H15B 109.3 . . ?
 C6A C1A C10A 118.6(6) . . ?
 C2A C1A C10A 124.3(6) . . ?
 C2A C1A C6A 117.1(6) . . ?
 C9A C8A H8A 119.8 . . ?
 C7A C8A C9A 120.5(6) . . ?
 C7A C8A H8A 119.8 . . ?
 C18A C17A H17A 109.4 . . ?
 C18A C17A H17B 109.4 . . ?
 H17A C17A H17B 108.0 . . ?
 C16A C17A C18A 111.1(6) . . ?
 C16A C17A H17A 109.4 . . ?
 C16A C17A H17B 109.4 . . ?
 C8B C7B C6B 122.3(6) . . ?
 C8B C7B H7B 118.9 . . ?
 C6B C7B H7B 118.9 . . ?
 C8A C7A H7A 118.8 . . ?
 C8A C7A C6A 122.3(6) . . ?
 C6A C7A H7A 118.8 . . ?
 C1A C6A C7A 119.4(6) . . ?
 C1A C6A C5A 119.0(7) . . ?
 C7A C6A C5A 121.5(6) . . ?
 C18B C17B H17C 109.2 . . ?
 C18B C17B H17D 109.2 . . ?
 C18B C17B C16B 112.1(5) . . ?
 H17C C17B H17D 107.9 . . ?
 C16B C17B H17C 109.2 . . ?
 C16B C17B H17D 109.2 . . ?
 C5B C4B H4B 120.3 . . ?
 C5B C4B C3B 119.4(6) . . ?
 C3B C4B H4B 120.3 . . ?
 C1A C2A H2A 118.8 . . ?
 C3A C2A C1A 122.4(7) . . ?
 C3A C2A H2A 118.8 . . ?
 C6B C5B H5B 118.7 . . ?
 C4B C5B C6B 122.5(6) . . ?
 C4B C5B H5B 118.7 . . ?
 C2B C3B C4B 119.7(7) . . ?
 C2B C3B H3B 120.2 . . ?
 C4B C3B H3B 120.2 . . ?
 C14A C15A H15C 109.7 . . ?
 C14A C15A H15D 109.7 . . ?
 H15C C15A H15D 108.2 . . ?
 C16A C15A C14A 109.8(6) . . ?
 C16A C15A H15C 109.7 . . ?
 C16A C15A H15D 109.7 . . ?
 C6A C5A H5A 119.2 . . ?
 C4A C5A C6A 121.6(7) . . ?
 C4A C5A H5A 119.2 . . ?
 C15B C16B C17B 110.0(5) . . ?
 C15B C16B H16A 109.7 . . ?
 C15B C16B H16B 109.7 . . ?
 C17B C16B H16A 109.7 . . ?
 C17B C16B H16B 109.7 . . ?
 H16A C16B H16B 108.2 . . ?
 C17A C16A C15A 110.3(5) . . ?
 C17A C16A H16C 109.6 . . ?
 C17A C16A H16D 109.6 . . ?
 C15A C16A H16C 109.6 . . ?
 C15A C16A H16D 109.6 . . ?
 H16C C16A H16D 108.1 . . ?
 C2A C3A H3A 120.3 . . ?
 C2A C3A C4A 119.4(7) . . ?
 C4A C3A H3A 120.3 . . ?
 C5A C4A C3A 120.4(7) . . ?
 C5A C4A H4A 119.8 . . ?
 C3A C4A H4A 119.8 . . ?

_olex2_submission_special_instructions  'No special instructions were received'
