data_1
_audit_creation_date               2019-09-26
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number       '2014/7'
_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. (2008). Acta Cryst. A64, 112-122.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C30 H18 Cu N6 O4'
_chemical_formula_sum              'C30 H18 Cu N6 O4'
_chemical_formula_weight           590.04
_chemical_melting_point            ?
_chemical_oxdiff_formula           'C H O N  Co Cu Li'
_chemical_oxdiff_usercomment       WJ7.9-272
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'
 'Cu' 'Cu' 0.3201 1.2651 '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'

_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/n 1'
_space_group_name_Hall             '-P 2yn'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                     10.6325(7)
_cell_length_b                     8.9632(4)
_cell_length_c                     24.1356(12)
_cell_angle_alpha                  90
_cell_angle_beta                   97.5542(13)
_cell_angle_gamma                  90
_cell_volume                       2280.2(2)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      1587
_cell_measurement_temperature      296(2)
_cell_measurement_theta_max        26.2897
_cell_measurement_theta_min        3.3148
_shelx_estimated_absorpt_T_max     0.871
_shelx_estimated_absorpt_T_min     0.800
_exptl_absorpt_coefficient_mu      1.015
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.92709
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              blue
_exptl_crystal_colour_primary      blue
_exptl_crystal_density_diffrn      1.719
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               1204
_exptl_crystal_size_max            0.23
_exptl_crystal_size_mid            0.18
_exptl_crystal_size_min            0.14
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0563
_diffrn_reflns_av_unetI/netI       0.0574
_diffrn_reflns_Laue_measured_fraction_full  0.995
_diffrn_reflns_Laue_measured_fraction_max  0.969
_diffrn_reflns_limit_h_max         13
_diffrn_reflns_limit_h_min         -14
_diffrn_reflns_limit_k_max         11
_diffrn_reflns_limit_k_min         -11
_diffrn_reflns_limit_l_max         31
_diffrn_reflns_limit_l_min         -31
_diffrn_reflns_number              20002
_diffrn_reflns_point_group_measured_fraction_full  0.995
_diffrn_reflns_point_group_measured_fraction_max  0.969
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           28.165
_diffrn_reflns_theta_min           1.702
_diffrn_ambient_temperature        296.15
_diffrn_detector_area_resol_mean   16.2542
_diffrn_measured_fraction_theta_full  0.995
_diffrn_measured_fraction_theta_max  0.969
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -36.00   39.00   1.0000    7.0000
omega____ theta____ kappa____ phi______ frames
    -       18.2642  -57.0000 -180.0000 75

#__ type_ start__ end____ width___ exp.time_
  2 omega  -54.00   34.00   1.0000    7.0000
omega____ theta____ kappa____ phi______ frames
    -       18.2642  -37.0000  -60.0000 88

#__ type_ start__ end____ width___ exp.time_
  3 omega  -47.00   40.00   1.0000    7.0000
omega____ theta____ kappa____ phi______ frames
    -       18.2642  -57.0000   60.0000 87

#__ type_ start__ end____ width___ exp.time_
  4 omega   -3.00   39.00   1.0000    7.0000
omega____ theta____ kappa____ phi______ frames
    -       18.2642   57.0000  -30.0000 42

#__ type_ start__ end____ width___ exp.time_
  5 omega  -17.00    9.00   1.0000    7.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.8892  -99.0000 -150.0000 26

#__ type_ start__ end____ width___ exp.time_
  6 omega  -21.00   11.00   1.0000    7.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.8892  -99.0000    0.0000 32

#__ type_ start__ end____ width___ exp.time_
  7 omega  -12.00   20.00   1.0000    7.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.8892  -99.0000   90.0000 32
;
_diffrn_measurement_device_type    'Xcalibur, Eos, Gemini'
_diffrn_measurement_method         'ω scans'
_diffrn_orient_matrix_UB_11        0.0832092000
_diffrn_orient_matrix_UB_12        0.0298479000
_diffrn_orient_matrix_UB_13        -0.0171710000
_diffrn_orient_matrix_UB_21        -0.0362596000
_diffrn_orient_matrix_UB_22        0.0471998000
_diffrn_orient_matrix_UB_23        -0.0787182000
_diffrn_orient_matrix_UB_31        -0.0467033000
_diffrn_orient_matrix_UB_32        0.0684221000
_diffrn_orient_matrix_UB_33        0.0147824000
_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                  4334
_reflns_number_total               5428
_reflns_odcompleteness_completeness  99.69
_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 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_molecular_graphics      'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement    'XL (Sheldrick, 2008)'
_computing_structure_solution      'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max           0.669
_refine_diff_density_min           -1.095
_refine_diff_density_rms           0.121
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.043
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       370
_refine_ls_number_reflns           5428
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0656
_refine_ls_R_factor_gt             0.0511
_refine_ls_restrained_S_all        1.043
_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)+(0.0904P)²+2.2023P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1451
_refine_ls_wR_factor_ref           0.1560
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C3(H3), C4(H4), C5(H5), C6(H6), C9(H9), C10(H10), C12(H12), C14(H14),
 C15(H15), C16(H16), C17(H17), C21(H21), C22(H22), C26(H26), C27(H27), C28(H28),
  C29(H29)
;
_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
 Cu1 Cu 0.36457(3) 0.02040(4) 0.22207(2) 0.01318(14) Uani 1 1 d . . . . .
 O1 O 0.17103(19) 0.3079(2) 0.25115(9) 0.0112(4) Uani 1 1 d . . . . .
 O2 O 0.18260(18) 0.0900(2) 0.20851(8) 0.0114(4) Uani 1 1 d . . . . .
 O3 O -0.4950(2) 0.2103(3) 0.19890(10) 0.0183(5) Uani 1 1 d . . . . .
 O4 O -0.4451(2) -0.0117(2) 0.23033(9) 0.0150(5) Uani 1 1 d . . . . .
 N1 N 0.8391(2) 0.5324(3) 0.63456(10) 0.0108(5) Uani 1 1 d . . . . .
 N2 N 0.7608(3) 0.5074(3) 0.54476(10) 0.0119(5) Uani 1 1 d . . . . .
 N3 N 0.4471(2) 0.2266(3) 0.38330(10) 0.0103(5) Uani 1 1 d . . . . .
 N4 N 0.3784(2) 0.1081(3) 0.30414(10) 0.0105(5) Uani 1 1 d . . . . .
 N5 N 0.6210(3) 0.3265(3) 0.51259(11) 0.0200(6) Uani 1 1 d . . . . .
 N6 N 0.5430(3) 0.2569(3) 0.47300(11) 0.0206(6) Uani 1 1 d . . . . .
 C1 C 0.7504(3) 0.4760(3) 0.59981(12) 0.0115(6) Uani 1 1 d . . . . .
 H1 H 0.6850 0.4190 0.6108 0.014 Uiso 1 1 calc R . . . .
 C2 C 0.8679(3) 0.5918(3) 0.54536(12) 0.0116(6) Uani 1 1 d . . . . .
 C3 C 0.9298(3) 0.6505(4) 0.50325(13) 0.0167(6) Uani 1 1 d . . . . .
 H3 H 0.8985 0.6386 0.4657 0.020 Uiso 1 1 calc R . . . .
 C4 C 1.0386(3) 0.7265(4) 0.52000(14) 0.0202(7) Uani 1 1 d . . . . .
 H4 H 1.0828 0.7686 0.4931 0.024 Uiso 1 1 calc R . . . .
 C5 C 1.0862(3) 0.7435(4) 0.57615(16) 0.0237(7) Uani 1 1 d . . . . .
 H5 H 1.1611 0.7966 0.5856 0.028 Uiso 1 1 calc R . . . .
 C6 C 1.0262(3) 0.6843(4) 0.61813(14) 0.0179(7) Uani 1 1 d . . . . .
 H6 H 1.0581 0.6961 0.6556 0.021 Uiso 1 1 calc R . . . .
 C7 C 0.9166(3) 0.6069(3) 0.60157(12) 0.0116(6) Uani 1 1 d . . . . .
 C8 C 0.6799(3) 0.4466(3) 0.49932(12) 0.0121(6) Uani 1 1 d . . . . .
 C9 C 0.6630(3) 0.5103(4) 0.44623(13) 0.0181(7) Uani 1 1 d . . . . .
 H9 H 0.7033 0.5988 0.4388 0.022 Uiso 1 1 calc R . . . .
 C10 C 0.5854(3) 0.4382(4) 0.40582(13) 0.0178(7) Uani 1 1 d . . . . .
 H10 H 0.5715 0.4735 0.3693 0.021 Uiso 1 1 calc R . . . .
 C11 C 0.5283(3) 0.3101(3) 0.42161(12) 0.0120(6) Uani 1 1 d . . . . .
 C12 C 0.4577(3) 0.2039(3) 0.32774(12) 0.0120(6) Uani 1 1 d . . . . .
 H12 H 0.5166 0.2533 0.3091 0.014 Uiso 1 1 calc R . . . .
 C13 C 0.3071(3) 0.0628(3) 0.34531(11) 0.0089(5) Uani 1 1 d . . . . .
 C14 C 0.2117(3) -0.0398(3) 0.34226(12) 0.0117(6) Uani 1 1 d . . . . .
 H14 H 0.1835 -0.0898 0.3092 0.014 Uiso 1 1 calc R . . . .
 C15 C 0.1593(3) -0.0656(4) 0.39044(13) 0.0169(6) Uani 1 1 d . . . . .
 H15 H 0.0947 -0.1357 0.3901 0.020 Uiso 1 1 calc R . . . .
 C16 C 0.2004(3) 0.0101(4) 0.43977(13) 0.0187(7) Uani 1 1 d . . . . .
 H16 H 0.1601 -0.0078 0.4711 0.022 Uiso 1 1 calc R . . . .
 C17 C 0.2980(3) 0.1098(4) 0.44369(12) 0.0159(6) Uani 1 1 d . . . . .
 H17 H 0.3273 0.1585 0.4769 0.019 Uiso 1 1 calc R . . . .
 C18 C 0.3503(3) 0.1337(3) 0.39539(12) 0.0098(6) Uani 1 1 d . . . . .
 C19 C 0.1232(3) 0.1950(3) 0.22775(11) 0.0087(5) Uani 1 1 d . . . . .
 C20 C -0.0171(3) 0.1737(3) 0.22112(11) 0.0084(5) Uani 1 1 d . . . . .
 C21 C -0.0683(3) 0.0833(4) 0.25696(13) 0.0148(6) Uani 1 1 d . . . . .
 H21 H -0.0160 0.0327 0.2847 0.018 Uiso 1 1 calc R . . . .
 C22 C -0.1980(3) 0.0661(4) 0.25248(13) 0.0150(6) Uani 1 1 d . . . . .
 H22 H -0.2319 0.0025 0.2771 0.018 Uiso 1 1 calc R . . . .
 C23 C -0.2777(3) 0.1395(3) 0.21301(12) 0.0099(6) Uani 1 1 d . . . . .
 C24 C -0.2266(3) 0.2330(3) 0.17405(11) 0.0083(5) Uani 1 1 d . . . . .
 C25 C -0.0954(3) 0.2473(3) 0.17745(11) 0.0077(5) Uani 1 1 d . . . . .
 C26 C -0.3017(3) 0.3094(3) 0.13073(12) 0.0131(6) Uani 1 1 d . . . . .
 H26 H -0.3895 0.3029 0.1282 0.016 Uiso 1 1 calc R . . . .
 C27 C -0.2494(3) 0.3925(4) 0.09247(13) 0.0167(6) Uani 1 1 d . . . . .
 H27 H -0.3014 0.4428 0.0645 0.020 Uiso 1 1 calc R . . . .
 C28 C -0.1195(3) 0.4022(4) 0.09513(13) 0.0179(7) Uani 1 1 d . . . . .
 H28 H -0.0835 0.4574 0.0686 0.021 Uiso 1 1 calc R . . . .
 C29 C -0.0446(3) 0.3314(3) 0.13632(12) 0.0134(6) Uani 1 1 d . . . . .
 H29 H 0.0430 0.3383 0.1376 0.016 Uiso 1 1 calc R . . . .
 C30 C -0.4148(3) 0.1132(4) 0.21334(12) 0.0121(6) Uani 1 1 d . . . . .


_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
 Cu1 O1 2.062(2) 2_545 ?
 Cu1 O2 2.018(2) . ?
 Cu1 O3 2.379(2) 1_655 ?
 Cu1 O4 2.028(2) 1_655 ?
 Cu1 N1 2.147(2) 4_565 ?
 Cu1 N4 2.118(2) . ?
 Cu1 C30 2.524(3) 1_655 ?
 O1 Cu1 2.062(2) 2 ?
 O1 C19 1.236(4) . ?
 O2 C19 1.256(3) . ?
 O3 Cu1 2.379(2) 1_455 ?
 O3 C30 1.236(4) . ?
 O4 Cu1 2.028(2) 1_455 ?
 O4 C30 1.249(4) . ?
 N1 Cu1 2.147(2) 4_666 ?
 N1 C1 1.280(4) . ?
 N1 C7 1.390(4) . ?
 N2 C1 1.377(4) . ?
 N2 C2 1.366(4) . ?
 N2 C8 1.411(4) . ?
 N3 C11 1.397(4) . ?
 N3 C12 1.376(4) . ?
 N3 C18 1.384(4) . ?
 N4 C12 1.284(4) . ?
 N4 C13 1.387(3) . ?
 N5 N6 1.335(4) . ?
 N5 C8 1.305(4) . ?
 N6 C11 1.319(4) . ?
 C1 H1 0.9300 . ?
 C2 C3 1.385(4) . ?
 C2 C7 1.394(4) . ?
 C3 H3 0.9300 . ?
 C3 C4 1.358(5) . ?
 C4 H4 0.9300 . ?
 C4 C5 1.391(5) . ?
 C5 H5 0.9300 . ?
 C5 C6 1.373(5) . ?
 C6 H6 0.9300 . ?
 C6 C7 1.370(4) . ?
 C8 C9 1.393(4) . ?
 C9 H9 0.9300 . ?
 C9 C10 1.355(5) . ?
 C10 H10 0.9300 . ?
 C10 C11 1.376(4) . ?
 C12 H12 0.9300 . ?
 C13 C14 1.365(4) . ?
 C13 C18 1.389(4) . ?
 C14 H14 0.9300 . ?
 C14 C15 1.373(4) . ?
 C15 H15 0.9300 . ?
 C15 C16 1.390(5) . ?
 C16 H16 0.9300 . ?
 C16 C17 1.364(5) . ?
 C17 H17 0.9300 . ?
 C17 C18 1.372(4) . ?
 C19 C20 1.491(4) . ?
 C20 C21 1.351(4) . ?
 C20 C25 1.417(4) . ?
 C21 H21 0.9300 . ?
 C21 C22 1.377(4) . ?
 C22 H22 0.9300 . ?
 C22 C23 1.359(4) . ?
 C23 C24 1.420(4) . ?
 C23 C30 1.477(4) . ?
 C24 C25 1.393(4) . ?
 C24 C26 1.407(4) . ?
 C25 C29 1.409(4) . ?
 C26 H26 0.9300 . ?
 C26 C27 1.360(4) . ?
 C27 H27 0.9300 . ?
 C27 C28 1.378(5) . ?
 C28 H28 0.9300 . ?
 C28 C29 1.348(5) . ?
 C29 H29 0.9300 . ?
 C30 Cu1 2.524(3) 1_455 ?

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
 O1 Cu1 O3 151.80(8) 2_545 1_655 ?
 O1 Cu1 N1 95.75(9) 2_545 4_565 ?
 O1 Cu1 N4 92.44(9) 2_545 . ?
 O1 Cu1 C30 122.79(9) 2_545 1_655 ?
 O2 Cu1 O1 97.16(8) . 2_545 ?
 O2 Cu1 O3 111.02(8) . 1_655 ?
 O2 Cu1 O4 169.40(9) . 1_655 ?
 O2 Cu1 N1 85.08(9) . 4_565 ?
 O2 Cu1 N4 89.10(9) . . ?
 O2 Cu1 C30 140.04(10) . 1_655 ?
 O3 Cu1 C30 29.02(9) 1_655 1_655 ?
 O4 Cu1 O1 93.44(8) 1_655 2_545 ?
 O4 Cu1 O3 58.38(8) 1_655 1_655 ?
 O4 Cu1 N1 93.48(9) 1_655 4_565 ?
 O4 Cu1 N4 90.86(9) 1_655 . ?
 O4 Cu1 C30 29.36(10) 1_655 1_655 ?
 N1 Cu1 O3 85.89(9) 4_565 1_655 ?
 N1 Cu1 C30 89.37(9) 4_565 1_655 ?
 N4 Cu1 O3 89.19(9) . 1_655 ?
 N4 Cu1 N1 170.49(10) . 4_565 ?
 N4 Cu1 C30 90.27(9) . 1_655 ?
 C19 O1 Cu1 144.92(19) . 2 ?
 C19 O2 Cu1 133.59(19) . . ?
 C30 O3 Cu1 82.00(18) . 1_455 ?
 C30 O4 Cu1 97.90(19) . 1_455 ?
 C1 N1 Cu1 123.0(2) . 4_666 ?
 C1 N1 C7 104.8(2) . . ?
 C7 N1 Cu1 131.4(2) . 4_666 ?
 C1 N2 C8 123.6(3) . . ?
 C2 N2 C1 106.0(2) . . ?
 C2 N2 C8 130.1(2) . . ?
 C12 N3 C11 127.0(2) . . ?
 C12 N3 C18 106.0(2) . . ?
 C18 N3 C11 126.5(2) . . ?
 C12 N4 Cu1 128.62(19) . . ?
 C12 N4 C13 105.5(2) . . ?
 C13 N4 Cu1 125.7(2) . . ?
 C8 N5 N6 118.8(3) . . ?
 C11 N6 N5 119.3(3) . . ?
 N1 C1 N2 114.0(3) . . ?
 N1 C1 H1 123.0 . . ?
 N2 C1 H1 123.0 . . ?
 N2 C2 C3 132.7(3) . . ?
 N2 C2 C7 105.5(2) . . ?
 C3 C2 C7 121.8(3) . . ?
 C2 C3 H3 121.9 . . ?
 C4 C3 C2 116.1(3) . . ?
 C4 C3 H3 121.9 . . ?
 C3 C4 H4 119.0 . . ?
 C3 C4 C5 122.1(3) . . ?
 C5 C4 H4 119.0 . . ?
 C4 C5 H5 118.9 . . ?
 C6 C5 C4 122.1(3) . . ?
 C6 C5 H5 118.9 . . ?
 C5 C6 H6 121.9 . . ?
 C7 C6 C5 116.1(3) . . ?
 C7 C6 H6 121.9 . . ?
 N1 C7 C2 109.8(3) . . ?
 C6 C7 N1 128.5(3) . . ?
 C6 C7 C2 121.7(3) . . ?
 N5 C8 N2 113.0(3) . . ?
 N5 C8 C9 123.8(3) . . ?
 C9 C8 N2 123.2(3) . . ?
 C8 C9 H9 121.3 . . ?
 C10 C9 C8 117.3(3) . . ?
 C10 C9 H9 121.3 . . ?
 C9 C10 H10 121.7 . . ?
 C9 C10 C11 116.6(3) . . ?
 C11 C10 H10 121.7 . . ?
 N6 C11 N3 114.5(3) . . ?
 N6 C11 C10 124.1(3) . . ?
 C10 C11 N3 121.4(3) . . ?
 N3 C12 H12 123.3 . . ?
 N4 C12 N3 113.5(3) . . ?
 N4 C12 H12 123.3 . . ?
 N4 C13 C18 109.9(3) . . ?
 C14 C13 N4 129.1(3) . . ?
 C14 C13 C18 120.9(3) . . ?
 C13 C14 H14 121.7 . . ?
 C13 C14 C15 116.7(3) . . ?
 C15 C14 H14 121.7 . . ?
 C14 C15 H15 119.1 . . ?
 C14 C15 C16 121.8(3) . . ?
 C16 C15 H15 119.1 . . ?
 C15 C16 H16 119.0 . . ?
 C17 C16 C15 122.0(3) . . ?
 C17 C16 H16 119.0 . . ?
 C16 C17 H17 122.2 . . ?
 C16 C17 C18 115.6(3) . . ?
 C18 C17 H17 122.2 . . ?
 N3 C18 C13 105.2(2) . . ?
 C17 C18 N3 131.9(3) . . ?
 C17 C18 C13 122.9(3) . . ?
 O1 C19 O2 125.9(3) . . ?
 O1 C19 C20 120.0(3) . . ?
 O2 C19 C20 114.1(3) . . ?
 C21 C20 C19 119.3(3) . . ?
 C21 C20 C25 120.6(3) . . ?
 C25 C20 C19 120.1(2) . . ?
 C20 C21 H21 120.0 . . ?
 C20 C21 C22 120.0(3) . . ?
 C22 C21 H21 120.0 . . ?
 C21 C22 H22 119.1 . . ?
 C23 C22 C21 121.8(3) . . ?
 C23 C22 H22 119.1 . . ?
 C22 C23 C24 119.5(3) . . ?
 C22 C23 C30 116.4(3) . . ?
 C24 C23 C30 124.2(3) . . ?
 C25 C24 C23 118.9(3) . . ?
 C25 C24 C26 117.7(3) . . ?
 C26 C24 C23 123.4(3) . . ?
 C24 C25 C20 119.1(2) . . ?
 C24 C25 C29 118.8(3) . . ?
 C29 C25 C20 122.1(3) . . ?
 C24 C26 H26 119.0 . . ?
 C27 C26 C24 121.9(3) . . ?
 C27 C26 H26 119.0 . . ?
 C26 C27 H27 120.0 . . ?
 C26 C27 C28 120.0(3) . . ?
 C28 C27 H27 120.0 . . ?
 C27 C28 H28 120.1 . . ?
 C29 C28 C27 119.7(3) . . ?
 C29 C28 H28 120.1 . . ?
 C25 C29 H29 119.1 . . ?
 C28 C29 C25 121.8(3) . . ?
 C28 C29 H29 119.1 . . ?
 O3 C30 Cu1 68.98(16) . 1_455 ?
 O3 C30 O4 121.7(3) . . ?
 O3 C30 C23 122.1(3) . . ?
 O4 C30 Cu1 52.74(15) . 1_455 ?
 O4 C30 C23 116.2(3) . . ?
 C23 C30 Cu1 168.9(2) . 1_455 ?


_olex2_submission_special_instructions  'No special instructions were received'
