# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_znndc_lt_cu
_database_code_depnum_ccdc_archive 'CCDC 1916451'
loop_
_audit_author_name
_audit_author_address
'Rik Koner'
;IIT Mandi
India
;
_audit_update_record             
;
2019-05-16 deposited with the CCDC.	2019-08-02 downloaded from the CCDC.
;
_audit_creation_date             2019-05-15
_audit_creation_method           
;
Olex2 1.2-ac21
(compiled 2015.09.16 svn.r134, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C31 H25 N3 O9 Zn2, 2(C3 H7 N O)'
_chemical_formula_sum            'C37 H39 N5 O11 Zn2'
_chemical_formula_weight         860.47
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C74 H78 N10 O22 Zn4'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   11.7332(9)
_cell_length_b                   13.0684(8)
_cell_length_c                   13.1512(7)
_cell_angle_alpha                84.610(5)
_cell_angle_beta                 88.522(5)
_cell_angle_gamma                69.276(7)
_cell_volume                     1877.7(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4394
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      66.6780
_cell_measurement_theta_min      3.3570
_exptl_absorpt_coefficient_mu    2.145
_exptl_absorpt_correction_T_max  0.992
_exptl_absorpt_correction_T_min  0.855
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
;
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.522
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       triclinic
_exptl_crystal_F_000             888
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
7 6 0 0.0360
-7 -6 -1 0.0286
-5 -8 0 0.0427
-1 -6 6 0.0529
3 0 8 0.0561
-1 -8 0 0.0618
7 -1 0 0.0470
-5 4 2 0.0066
6 6 4 0.0494
-1 0 8 0.0472
1 0 -8 0.0472

_exptl_crystal_size_max          0.108
_exptl_crystal_size_mid          0.094
_exptl_crystal_size_min          0.069
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
6.9953 6.0170 0.0064 -0.0388 0.4716 0.8900
-6.9953 -6.0184 -1.0076 -0.0011 -0.3712 -0.9370
-4.9979 -8.0108 -0.0022 0.4473 -0.3183 -0.8464
-1.0014 -5.9920 6.0092 0.8258 -0.6438 -0.1369
2.9967 0.0196 8.0135 0.5930 -0.5879 0.6116
-1.0018 -8.0000 0.0036 0.8125 -0.0316 -0.5323
6.9929 -0.9807 0.0109 0.7520 0.5067 0.4930
-4.9939 3.9879 1.9924 -0.8286 -0.5791 -0.0718
5.9961 6.0200 4.0095 0.0295 -0.0015 0.9995
-0.9994 0.0088 8.0076 0.2278 -0.8746 0.2974
0.9994 -0.0088 -8.0076 -0.2278 0.8746 -0.2974

_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.1186
_diffrn_reflns_av_unetI/netI     0.1099
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            11191
_diffrn_reflns_theta_full        66.95
_diffrn_reflns_theta_max         66.95
_diffrn_reflns_theta_min         3.38
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 15.9974
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -10.00  90.00   1.00    1.00    --   25.44  57.00 -90.00  100
  2  ω    100.00 148.00   1.00    1.50    --   66.72 111.00 -90.00   48
  3  ω    111.00 139.00   1.00    1.50    --   66.72 111.00   0.00   28
  4  ω    109.00 150.00   1.00    1.50    --   66.72 111.00  30.00   41
  5  ω    150.00 176.00   1.00   10.00    --  108.00 138.00   0.00   26
  6  ω    147.00 177.00   1.00   10.00    --  108.00  43.00   0.00   30
  7  ω    101.00 165.00   1.00   10.00    --  108.00 104.00 150.00   64
  8  ω     87.00 128.00   1.00   10.00    --  108.00 138.00   0.00   41
  9  ω     69.00 124.00   1.00   10.00    --  108.00  43.00   0.00   55
 10  ω     66.00 111.00   1.00    1.50    --   66.72 -45.00 -90.00   45
 11  ω    101.00 142.00   1.00   10.00    --  108.00 -54.00 -60.00   41
 12  ω    145.00 175.00   1.00   10.00    --  108.00  32.00-180.00   30
 13  ω     57.00 104.00   1.00    1.00    --   25.44 178.00  60.00   47
 14  ω      7.00 100.00   1.00    1.00    --   25.44  57.00 150.00   93
 15  ω     22.00 141.00   1.00    1.50    --   66.72  45.00 120.00  119
 16  ω     43.00 120.00   1.00   10.00    --  108.00 -89.00  90.00   77
 17  ω     95.00 120.00   1.00   10.00    --  108.00-123.00  93.18   25
 18  ω     45.00  71.00   1.00   10.00    --  108.00 -54.00 -60.00   26
 19  ω     42.00 177.00   1.00   10.00    --  108.00   0.00 -30.00  135
 20  ω     43.00 134.00   1.00   10.00    --  108.00  32.00-180.00   91
 21  ω     40.00 109.00   1.00   10.00    --  108.00-104.00  30.00   69
 22  ω     37.00 118.00   1.00   10.00    --  108.00-131.00   8.33   81
 23  ω     37.00  86.00   1.00   10.00    --  108.00-123.00  93.18   49
 24  ω     30.00 150.00   1.00   10.00    --  108.00 -43.00 150.00  120
 25  ω     31.00 147.00   1.00   10.00    --  108.00 -54.00  60.00  116
 26  ω     27.00 141.00   1.00   10.00    --  108.00 -77.00-180.00  114
 27  ω     22.00 115.00   1.00    1.50    --   66.72-111.00-150.00   93
 28  ω      6.00 133.00   1.00    1.50    --   66.72  15.00 -90.00  127
 29  ω      3.00 107.00   1.00    1.50    --   66.72 -94.00   0.00  104
 30  ω     -7.00  37.00   1.00    1.50    --   66.72 -45.00 -90.00   44
 31  ω    -12.00  78.00   1.00    1.00    --   25.44  77.00  30.00   90
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0916282000
_diffrn_orient_matrix_UB_12      -0.1130134000
_diffrn_orient_matrix_UB_13      0.0400065000
_diffrn_orient_matrix_UB_21      0.0718962000
_diffrn_orient_matrix_UB_22      -0.0050985000
_diffrn_orient_matrix_UB_23      -0.1002419000
_diffrn_orient_matrix_UB_31      0.0783824000
_diffrn_orient_matrix_UB_32      0.0567428000
_diffrn_orient_matrix_UB_33      0.0468657000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                4893
_reflns_number_total             6379
_reflns_odcompleteness_completeness 98.00
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         2.000
_refine_diff_density_min         -1.204
_refine_diff_density_rms         0.171
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     453
_refine_ls_number_reflns         6379
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1091
_refine_ls_R_factor_gt           0.0839
_refine_ls_restrained_S_all      1.041
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1632P)²+1.6849P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2212
_refine_ls_wR_factor_ref         0.2481
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C14(H14), C17(H17), C24(H24), C15(H15), C27(H27), C25(H25), C4(H4), C11(H11),
 C21(H21), C28(H28), N2(H2), C20(H20), C8(H8), C6(H6), C9(H9), C3(H3), C36(H36),
  C33(H33)
2.b Idealised Me refined as rotating group:
 C29(H29A,H29B,H29C), C19(H19A,H19B,H19C), C30(H30A,H30B,H30C), C35(H35A,H35B,
 H35C), C34(H34A,H34B,H34C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
Zn1 Zn 0.86599(5) 0.70689(5) 0.33141(4) 0.0141(2) Uani 1 d . . .
Zn2 Zn 0.59380(5) 0.81340(5) 0.34945(4) 0.0138(2) Uani 1 d . . .
O2 O 0.8147(4) 0.7247(4) 0.1814(3) 0.0316(9) Uani 1 d . . .
O5 O 0.6451(4) 0.7828(3) 0.5004(3) 0.0269(8) Uani 1 d . . .
O6 O 0.8467(4) 0.7174(4) 0.4863(3) 0.0269(8) Uani 1 d . . .
O1 O 0.6145(4) 0.8104(4) 0.1929(3) 0.0328(9) Uani 1 d . . .
O9 O 0.4150(3) 0.8872(3) 0.3628(3) 0.0232(8) Uani 1 d . . .
O3 O 0.8456(4) 0.8713(3) 0.3156(3) 0.0303(9) Uani 1 d . . .
O4 O 0.6446(4) 0.9457(3) 0.3395(3) 0.0308(9) Uani 1 d . . .
C12 C 0.7105(5) 0.7704(4) 0.1438(4) 0.0233(11) Uani 1 d . . .
N1 N 1.0468(4) 0.6244(4) 0.3337(3) 0.0216(9) Uani 1 d . . .
C22 C 0.7502(5) 0.7467(4) 0.5365(4) 0.0198(10) Uani 1 d . . .
C1 C 0.7475(5) 0.9519(4) 0.3265(4) 0.0213(10) Uani 1 d . . .
C23 C 0.7617(5) 0.7399(4) 0.6503(4) 0.0233(11) Uani 1 d . . .
C13 C 0.7003(5) 0.7774(5) 0.0287(4) 0.0263(11) Uani 1 d . . .
C16 C 0.7855(5) 0.7235(5) -0.1357(4) 0.0254(11) Uani 1 d . . .
C14 C 0.5910(6) 0.8492(6) -0.0194(4) 0.0348(13) Uani 1 d . . .
H14 H 0.5263 0.8889 0.0199 0.042 Uiso 1 calc . . R
C17 C 0.7923(5) 0.7168(5) -0.0276(4) 0.0274(11) Uani 1 d . . .
H17 H 0.8628 0.6690 0.0054 0.033 Uiso 1 calc . . R
C24 C 0.8715(5) 0.6688(5) 0.6998(4) 0.0267(11) Uani 1 d . . .
H24 H 0.9361 0.6278 0.6611 0.032 Uiso 1 calc . . R
C15 C 0.5800(6) 0.8607(6) -0.1243(5) 0.0411(15) Uani 1 d . . .
H15 H 0.5093 0.9102 -0.1557 0.049 Uiso 1 calc . . R
C27 C 0.6677(5) 0.8026(5) 0.7074(4) 0.0285(11) Uani 1 d . . .
H27 H 0.5966 0.8498 0.6749 0.034 Uiso 1 calc . . R
C26 C 0.6771(5) 0.7967(5) 0.8153(4) 0.0272(11) Uani 1 d . . .
C25 C 0.8828(5) 0.6603(5) 0.8037(4) 0.0301(12) Uani 1 d . . .
H25 H 0.9546 0.6128 0.8351 0.036 Uiso 1 calc . . R
C2 C 0.7560(5) 1.0637(4) 0.3253(4) 0.0239(11) Uani 1 d . . .
N3 N 0.2258(4) 0.8903(4) 0.3993(4) 0.0325(11) Uani 1 d . . .
C4 C 0.8732(5) 1.1819(5) 0.2867(6) 0.0352(14) Uani 1 d . . .
H4 H 0.9437 1.1922 0.2618 0.042 Uiso 1 calc . . R
C11 C 0.6612(5) 1.1483(5) 0.3598(4) 0.0257(11) Uani 1 d . . .
H11 H 0.5917 1.1359 0.3844 0.031 Uiso 1 calc . . R
C5 C 0.7759(5) 1.2717(4) 0.3225(5) 0.0291(12) Uani 1 d . . .
C10 C 0.6676(5) 1.2538(4) 0.3586(4) 0.0225(10) Uani 1 d . . .
C21 C 1.1107(5) 0.5667(4) 0.4206(4) 0.0250(11) Uani 1 d . . .
H21 H 1.0773 0.5617 0.4849 0.030 Uiso 1 calc . . R
C28 C 0.3415(5) 0.8396(4) 0.3764(4) 0.0244(11) Uani 1 d . . .
H28 H 0.3686 0.7644 0.3703 0.029 Uiso 1 calc . . R
N2 N 1.2377(5) 0.5498(6) 0.2964(5) 0.0453(14) Uani 1 d . . .
H2 H 1.3035 0.5322 0.2611 0.054 Uiso 1 calc . . R
C20 C 1.2289(5) 0.5191(5) 0.3968(5) 0.0311(12) Uani 1 d . . .
H20 H 1.2916 0.4743 0.4403 0.037 Uiso 1 calc . . R
C29 C 0.1779(6) 1.0058(6) 0.4117(7) 0.0461(17) Uani 1 d . . .
H29A H 0.1459 1.0169 0.4793 0.069 Uiso 1 calc . . GR
H29B H 0.1141 1.0421 0.3624 0.069 Uiso 1 calc . . GR
H29C H 0.2418 1.0355 0.4016 0.069 Uiso 1 calc . . GR
C8 C 0.5767(5) 1.4470(4) 0.3870(4) 0.0242(10) Uani 1 d . . .
H8 H 0.5104 1.5061 0.4061 0.029 Uiso 1 calc . . R
C6 C 0.7820(5) 1.3764(4) 0.3228(5) 0.0267(12) Uani 1 d . . .
H6 H 0.8532 1.3877 0.3016 0.032 Uiso 1 calc . . R
C7 C 0.6851(5) 1.4635(4) 0.3537(4) 0.0216(10) Uani 1 d . . .
C9 C 0.5690(5) 1.3449(4) 0.3914(4) 0.0249(11) Uani 1 d . . .
H9 H 0.4986 1.3345 0.4162 0.030 Uiso 1 calc . . R
C18 C 1.1269(6) 0.6119(7) 0.2618(5) 0.0449(17) Uani 1 d . . .
C19 C 1.1034(8) 0.6512(14) 0.1521(7) 0.109(6) Uani 1 d . . .
H19A H 1.0351 0.6352 0.1289 0.163 Uiso 1 calc . . GR
H19B H 1.1741 0.6148 0.1132 0.163 Uiso 1 calc . . GR
H19C H 1.0857 0.7291 0.1433 0.163 Uiso 1 calc . . GR
O7 O 0.5968(4) 0.6559(3) 0.3551(3) 0.0281(8) Uani 1 d . . .
O8 O 0.7997(4) 0.5797(3) 0.3467(3) 0.0300(9) Uani 1 d . . .
C8AA C 0.6951(5) 0.5744(4) 0.3515(4) 0.0200(10) Uani 1 d . . .
C3 C 0.8629(5) 1.0811(5) 0.2888(5) 0.0334(13) Uani 1 d . . .
H3 H 0.9272 1.0228 0.2659 0.040 Uiso 1 calc . . R
C30 C 0.1410(6) 0.8285(6) 0.4136(7) 0.0489(18) Uani 1 d . . .
H30A H 0.0860 0.8474 0.3564 0.073 Uiso 1 calc . . GR
H30B H 0.0954 0.8471 0.4751 0.073 Uiso 1 calc . . GR
H30C H 0.1869 0.7511 0.4187 0.073 Uiso 1 calc . . GR
O10 O 0.4278(7) 0.5322(7) 0.1642(6) 0.0768(19) Uiso 1 d . . .
C36 C 0.5030(15) 0.4409(14) 0.1376(12) 0.105(4) Uiso 1 d . . .
H36 H 0.4806 0.3791 0.1434 0.126 Uiso 1 calc . . R
N4 N 0.6098(8) 0.4332(7) 0.1028(7) 0.068(2) Uiso 1 d . . .
C35 C 0.6637(19) 0.5107(17) 0.0794(16) 0.133(6) Uiso 1 d . . .
H35A H 0.6511 0.5363 0.0084 0.200 Uiso 1 calc . . GR
H35B H 0.7495 0.4783 0.0937 0.200 Uiso 1 calc . . GR
H35C H 0.6280 0.5713 0.1200 0.200 Uiso 1 calc . . GR
C34 C 0.668(2) 0.3219(19) 0.0733(18) 0.151(8) Uiso 1 d . . .
H34A H 0.6478 0.2713 0.1217 0.226 Uiso 1 calc . . GR
H34B H 0.7547 0.3037 0.0720 0.226 Uiso 1 calc . . GR
H34C H 0.6395 0.3174 0.0066 0.226 Uiso 1 calc . . GR
N5 N 0.8442(11) 0.9771(10) -0.0302(10) 0.096(3) Uiso 1 d . . .
O11 O 1.0242(13) 0.8338(11) -0.0446(11) 0.132(4) Uiso 1 d . . .
C33 C 0.9491(19) 0.8998(17) 0.0107(16) 0.128(6) Uiso 1 d . . .
H33 H 0.9652 0.8958 0.0801 0.154 Uiso 1 calc . . R
C31 C 0.7670(14) 1.0228(13) 0.0524(11) 0.098(4) Uiso 1 d . . .
H31A H 0.7714 0.9654 0.1050 0.148 Uiso 1 calc . . GR
H31B H 0.6845 1.0571 0.0281 0.148 Uiso 1 calc . . GR
H31C H 0.7934 1.0765 0.0794 0.148 Uiso 1 calc . . GR
C32 C 0.828(3) 1.006(3) -0.126(3) 0.239(15) Uiso 1 d . . .
H32A H 0.8772 1.0496 -0.1474 0.358 Uiso 1 calc . . GR
H32B H 0.7437 1.0494 -0.1391 0.358 Uiso 1 calc . . GR
H32C H 0.8511 0.9424 -0.1629 0.358 Uiso 1 calc . . GR


_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
Zn1 Zn2 3.0116(9) . ?
Zn1 O2 2.046(4) . ?
Zn1 O6 2.056(4) . ?
Zn1 O3 2.067(4) . ?
Zn1 N1 2.010(4) . ?
Zn1 O8 2.061(4) . ?
Zn2 O5 2.051(4) . ?
Zn2 O1 2.069(4) . ?
Zn2 O9 1.985(4) . ?
Zn2 O4 2.011(4) . ?
Zn2 O7 2.041(4) . ?
O2 C12 1.247(8) . ?
O5 C22 1.244(7) . ?
O6 C22 1.251(7) . ?
O1 C12 1.253(7) . ?
O9 C28 1.230(7) . ?
O3 C1 1.272(7) . ?
O4 C1 1.245(7) . ?
C12 C13 1.513(7) . ?
N1 C21 1.385(7) . ?
N1 C18 1.296(8) . ?
C22 C23 1.497(7) . ?
C1 C2 1.498(7) . ?
C23 C24 1.425(8) . ?
C23 C27 1.374(8) . ?
C13 C14 1.416(8) . ?
C13 C17 1.343(8) . ?
C16 C17 1.418(7) . ?
C16 C26 1.419(8) 1_554 ?
C16 C25 1.425(8) 1_554 ?
C14 C15 1.377(8) . ?
C24 C25 1.366(8) . ?
C15 C26 1.426(9) 1_554 ?
C27 C26 1.419(8) . ?
C26 C16 1.419(8) 1_556 ?
C26 C15 1.426(9) 1_556 ?
C25 C16 1.425(8) 1_556 ?
C2 C11 1.365(8) . ?
C2 C3 1.417(8) . ?
N3 C28 1.325(8) . ?
N3 C29 1.435(9) . ?
N3 C30 1.485(7) . ?
C4 C5 1.425(8) . ?
C4 C3 1.362(8) . ?
C11 C10 1.406(7) . ?
C5 C10 1.433(8) . ?
C5 C6 1.396(8) . ?
C10 C9 1.428(7) . ?
C21 C20 1.346(9) . ?
N2 C20 1.357(8) . ?
N2 C18 1.330(9) . ?
C8 C7 1.415(7) . ?
C8 C9 1.366(8) . ?
C6 C7 1.378(8) . ?
C7 C8AA 1.493(7) 1_565 ?
C18 C19 1.484(11) . ?
O7 C8AA 1.266(7) . ?
O8 C8AA 1.254(7) . ?
C8AA C7 1.493(7) 1_545 ?
O10 C36 1.282(17) . ?
C36 N4 1.297(18) . ?
N4 C35 1.38(2) . ?
N4 C34 1.46(2) . ?
N5 C33 1.37(2) . ?
N5 C31 1.429(18) . ?
N5 C32 1.28(3) . ?
O11 C33 1.26(2) . ?

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
O2 Zn1 Zn2 79.49(12) . . ?
O2 Zn1 O6 158.03(17) . . ?
O2 Zn1 O3 87.42(18) . . ?
O2 Zn1 O8 85.64(18) . . ?
O6 Zn1 Zn2 78.54(11) . . ?
O6 Zn1 O3 88.14(17) . . ?
O6 Zn1 O8 88.69(17) . . ?
O3 Zn1 Zn2 78.94(12) . . ?
N1 Zn1 Zn2 173.39(12) . . ?
N1 Zn1 O2 105.38(18) . . ?
N1 Zn1 O6 96.54(17) . . ?
N1 Zn1 O3 105.49(17) . . ?
N1 Zn1 O8 101.37(17) . . ?
O8 Zn1 Zn2 74.29(12) . . ?
O8 Zn1 O3 153.14(17) . . ?
O5 Zn2 Zn1 79.10(12) . . ?
O5 Zn2 O1 157.42(17) . . ?
O1 Zn2 Zn1 78.40(12) . . ?
O9 Zn2 Zn1 178.40(11) . . ?
O9 Zn2 O5 100.30(16) . . ?
O9 Zn2 O1 102.24(17) . . ?
O9 Zn2 O4 99.49(16) . . ?
O9 Zn2 O7 97.63(15) . . ?
O4 Zn2 Zn1 79.04(12) . . ?
O4 Zn2 O5 89.38(17) . . ?
O4 Zn2 O1 88.35(19) . . ?
O4 Zn2 O7 162.88(17) . . ?
O7 Zn2 Zn1 83.84(11) . . ?
O7 Zn2 O5 87.74(17) . . ?
O7 Zn2 O1 87.87(18) . . ?
C12 O2 Zn1 128.0(4) . . ?
C22 O5 Zn2 127.8(3) . . ?
C22 O6 Zn1 128.1(3) . . ?
C12 O1 Zn2 128.2(4) . . ?
C28 O9 Zn2 125.0(3) . . ?
C1 O3 Zn1 126.3(3) . . ?
C1 O4 Zn2 129.8(4) . . ?
O2 C12 O1 125.7(5) . . ?
O2 C12 C13 116.6(5) . . ?
O1 C12 C13 117.7(5) . . ?
C21 N1 Zn1 123.4(4) . . ?
C18 N1 Zn1 130.9(4) . . ?
C18 N1 C21 105.8(5) . . ?
O5 C22 O6 125.9(5) . . ?
O5 C22 C23 116.6(4) . . ?
O6 C22 C23 117.4(5) . . ?
O3 C1 C2 117.6(5) . . ?
O4 C1 O3 125.5(5) . . ?
O4 C1 C2 116.9(5) . . ?
C24 C23 C22 119.9(5) . . ?
C27 C23 C22 120.6(5) . . ?
C27 C23 C24 119.5(5) . . ?
C14 C13 C12 118.7(5) . . ?
C17 C13 C12 121.2(5) . . ?
C17 C13 C14 120.1(5) . . ?
C17 C16 C26 118.1(5) . 1_554 ?
C17 C16 C25 122.8(5) . 1_554 ?
C26 C16 C25 119.1(5) 1_554 1_554 ?
C15 C14 C13 120.3(5) . . ?
C13 C17 C16 122.2(5) . . ?
C25 C24 C23 120.6(5) . . ?
C14 C15 C26 120.0(5) . 1_554 ?
C23 C27 C26 121.2(5) . . ?
C16 C26 C15 119.3(5) 1_556 1_556 ?
C27 C26 C16 118.9(5) . 1_556 ?
C27 C26 C15 121.8(5) . 1_556 ?
C24 C25 C16 120.6(5) . 1_556 ?
C11 C2 C1 120.0(5) . . ?
C11 C2 C3 120.2(5) . . ?
C3 C2 C1 119.8(5) . . ?
C28 N3 C29 121.6(5) . . ?
C28 N3 C30 120.6(5) . . ?
C29 N3 C30 117.8(5) . . ?
C3 C4 C5 119.9(6) . . ?
C2 C11 C10 120.6(5) . . ?
C4 C5 C10 118.7(5) . . ?
C6 C5 C4 122.3(5) . . ?
C6 C5 C10 119.0(5) . . ?
C11 C10 C5 119.4(5) . . ?
C11 C10 C9 122.2(5) . . ?
C9 C10 C5 118.3(5) . . ?
C20 C21 N1 109.0(5) . . ?
O9 C28 N3 123.1(5) . . ?
C18 N2 C20 108.2(5) . . ?
C21 C20 N2 105.8(5) . . ?
C9 C8 C7 120.3(5) . . ?
C7 C6 C5 121.6(5) . . ?
C8 C7 C8AA 120.5(5) . 1_565 ?
C6 C7 C8 119.7(5) . . ?
C6 C7 C8AA 119.8(5) . 1_565 ?
C8 C9 C10 120.9(5) . . ?
N1 C18 N2 111.2(6) . . ?
N1 C18 C19 127.0(6) . . ?
N2 C18 C19 121.6(6) . . ?
C8AA O7 Zn2 122.3(3) . . ?
C8AA O8 Zn1 134.3(4) . . ?
O7 C8AA C7 117.2(4) . 1_545 ?
O8 C8AA C7 117.7(5) . 1_545 ?
O8 C8AA O7 125.1(5) . . ?
C4 C3 C2 121.1(6) . . ?
O10 C36 N4 121.2(15) . . ?
C36 N4 C35 132.1(14) . . ?
C36 N4 C34 107.1(14) . . ?
C35 N4 C34 120.2(14) . . ?
C33 N5 C31 107.9(14) . . ?
C32 N5 C33 123(2) . . ?
C32 N5 C31 128(2) . . ?
O11 C33 N5 121.0(19) . . ?

_olex2_date_sample_data_collection 2019-05-10
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
'Empirical correction (ABSPACK) includes:'
_oxdiff_exptl_absorpt_empirical_full_max 2.820
_oxdiff_exptl_absorpt_empirical_full_min 0.513
