# Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics.
# This journal is © the Owner Societies 2021

####################################################################### 
# 
# 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 
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data_ad-sdg-zn-salampy_mo
_database_code_depnum_ccdc_archive 'CCDC 2020268'
loop_
_audit_author_name
_audit_author_address
'Souradip Dasgupta'
;Indian Institute of Technology Bombay
India
;
_audit_update_record             
;
2020-07-30 deposited with the CCDC.	2021-08-11 downloaded from the CCDC.
;
_audit_creation_date             2018-10-11
_audit_creation_method           
;
Olex2 1.2-ac3
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ZnSALAMPY
_chemical_formula_moiety         '2(C30 H28 N4 O6 Zn2)'
_chemical_formula_sum            'C60 H56 N8 O12 Zn4'
_chemical_formula_weight         1342.60
_chemical_melting_point          ?
_chemical_oxdiff_formula         C50N4H50O4Zn1
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'
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           15
_space_group_name_H-M_alt        'I 1 2/a 1'
_space_group_name_Hall           '-I 2ya'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'

_cell_length_a                   23.5031(7)
_cell_length_b                   14.9393(4)
_cell_length_c                   33.0899(10)
_cell_angle_alpha                90
_cell_angle_beta                 106.970(3)
_cell_angle_gamma                90
_cell_volume                     11112.6(6)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    8989
_cell_measurement_temperature    150
_cell_measurement_theta_max      30.8420
_cell_measurement_theta_min      2.5010
_shelx_estimated_absorpt_T_max   0.855
_shelx_estimated_absorpt_T_min   0.717
_exptl_absorpt_coefficient_mu    1.779
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83154
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
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    1.605
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5504
_exptl_crystal_preparation       ?
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.091
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0384
_diffrn_reflns_av_unetI/netI     0.0532
_diffrn_reflns_Laue_measured_fraction_full 0.970
_diffrn_reflns_Laue_measured_fraction_max 0.970
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            20252
_diffrn_reflns_point_group_measured_fraction_full 0.970
_diffrn_reflns_point_group_measured_fraction_max 0.970
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         1.507
_diffrn_ambient_temperature      150
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -110.00  44.00   0.50    8.00    --  -20.00   0.00-108.00  308
  2  ω    -71.00 -28.50   0.50    8.00    --  -20.00 -72.00-180.00   85
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  
'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0115718000
_diffrn_orient_matrix_UB_12      -0.0439960000
_diffrn_orient_matrix_UB_13      -0.0041193000
_diffrn_orient_matrix_UB_21      0.0110033000
_diffrn_orient_matrix_UB_22      -0.0027227000
_diffrn_orient_matrix_UB_23      -0.0177618000
_diffrn_orient_matrix_UB_31      0.0272136000
_diffrn_orient_matrix_UB_32      -0.0176771000
_diffrn_orient_matrix_UB_33      0.0130278000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5671
_reflns_number_total             9490
_reflns_odcompleteness_completeness 83.46
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     31.12
_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 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.283
_refine_diff_density_min         -0.510
_refine_diff_density_rms         0.118
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     761
_refine_ls_number_reflns         9490
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0901
_refine_ls_R_factor_gt           0.0548
_refine_ls_restrained_S_all      1.029
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0796P)²+1.3177P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1375
_refine_ls_wR_factor_ref         0.1697
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C21(H21A,H21B), C37(H37A,H37B), C8(H8A,H8B), C50(H50A,H50B)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C31(H31), C16(H16), C33(H33), C7(H7), C15(H15), C20(H20), C39(H39),
 C32(H32), C45(H45), C4(H4), C36(H36), C2(H2), C44(H44), C17(H17), C52(H52),
 C54(H54), C46(H46), C23(H23), C49(H49), C40(H40), C24(H24), C34(H34), C53(H53),
  C26(H26), C42(H42), C55(H55), C41(H41), C47(H47), C25(H25), C18(H18),
 C10(H10), C5(H5), C13(H13), C11(H11), C12(H12)
2.c Idealised Me refined as rotating group:
 C29(H29A,H29B,H29C), C27(H27A,H27B,H27C), C59(H59A,H59B,H59C), C56(H56A,H56B,
 H56C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Zn01 Zn 0.28627(2) 0.47967(4) 0.31144(2) 0.03107(18) Uani 1 1 d . . . . .
Zn02 Zn 0.21271(2) 0.51346(4) 0.20032(2) 0.03156(18) Uani 1 1 d . . . . .
Zn03 Zn 0.53465(2) 0.73725(4) 0.55073(2) 0.03357(18) Uani 1 1 d . . . . .
Zn04 Zn 0.46111(2) 0.77084(4) 0.43928(2) 0.03227(18) Uani 1 1 d . . . . .
O8 O 0.26335(12) 0.4378(2) 0.24931(9) 0.0341(8) Uani 1 1 d . . . . .
O5 O 0.52437(13) 0.8390(2) 0.42395(10) 0.0443(9) Uani 1 1 d . . . . .
O11 O 0.22284(13) 0.4089(2) 0.32560(10) 0.0442(9) Uani 1 1 d . . . . .
O9 O 0.19477(14) 0.6191(2) 0.23167(10) 0.0423(9) Uani 1 1 d . . . . .
O3 O 0.48465(12) 0.8135(2) 0.50122(9) 0.0364(8) Uani 1 1 d . . . . .
O0AA O 0.55415(14) 0.6323(2) 0.51945(11) 0.0465(9) Uani 1 1 d . . . . .
O7 O 0.32264(13) 0.3316(2) 0.28278(11) 0.0488(9) Uani 1 1 d . . . . .
N8 N 0.33465(16) 0.4748(3) 0.37535(12) 0.0320(10) Uani 1 1 d . . . . .
O2 O 0.50263(13) 0.6495(2) 0.45156(10) 0.0453(9) Uani 1 1 d . . . . .
O6 O 0.28342(13) 0.5540(3) 0.18400(11) 0.0495(10) Uani 1 1 d . . . . .
O4 O 0.42723(14) 0.9200(2) 0.46753(11) 0.0527(10) Uani 1 1 d . . . . .
O10 O 0.24437(13) 0.6010(2) 0.29928(10) 0.0452(9) Uani 1 1 d . . . . .
O1 O 0.46369(13) 0.6958(3) 0.56667(11) 0.0543(11) Uani 1 1 d . . . . .
N4 N 0.41101(15) 0.7729(3) 0.37577(12) 0.0339(10) Uani 1 1 d . . . . .
N6 N 0.16362(15) 0.5171(3) 0.13753(12) 0.0336(10) Uani 1 1 d . . . . .
N1 N 0.58340(15) 0.7321(3) 0.61399(12) 0.0330(10) Uani 1 1 d . . . . .
N5 N 0.13202(15) 0.4420(3) 0.20033(12) 0.0352(10) Uani 1 1 d . . . . .
N3 N 0.37574(15) 0.7217(3) 0.44102(12) 0.0370(10) Uani 1 1 d . . . . .
N7 N 0.37205(15) 0.5287(3) 0.31101(12) 0.0339(10) Uani 1 1 d . . . . .
N2 N 0.61514(16) 0.8086(3) 0.55109(13) 0.0387(11) Uani 1 1 d . . . . .
C30 C 0.21326(19) 0.3964(3) 0.36171(15) 0.0328(12) Uani 1 1 d . . . . .
C57 C 0.29247(19) 0.3644(3) 0.24919(17) 0.0348(12) Uani 1 1 d . . . . .
C58 C 0.20976(19) 0.6436(3) 0.26910(15) 0.0332(12) Uani 1 1 d . . . . .
C43 C 0.2880(2) 0.5797(3) 0.14729(16) 0.0354(12) Uani 1 1 d . . . . .
C29 C 0.5613(2) 0.5220(3) 0.47143(17) 0.0502(15) Uani 1 1 d . . . . .
H29A H 0.5280 0.4825 0.4576 0.075 Uiso 1 1 calc GR . . . .
H29B H 0.5856 0.4938 0.4975 0.075 Uiso 1 1 calc GR . . . .
H29C H 0.5857 0.5327 0.4524 0.075 Uiso 1 1 calc GR . . . .
C3 C 0.3954(2) 0.6039(4) 0.64177(17) 0.0460(14) Uani 1 1 d . . . . .
H3 H 0.3579 0.5800 0.6417 0.055 Uiso 1 1 calc R . . . .
C38 C 0.4131(2) 0.5347(3) 0.34820(15) 0.0341(12) Uani 1 1 d . . . . .
C19 C 0.4899(2) 0.8279(3) 0.34791(16) 0.0369(12) Uani 1 1 d . . . . .
C60 C 0.53760(19) 0.6091(4) 0.48185(16) 0.0360(12) Uani 1 1 d . . . . .
C31 C 0.1593(2) 0.3557(3) 0.36301(16) 0.0399(13) Uani 1 1 d . . . . .
H31 H 0.1311 0.3384 0.3373 0.048 Uiso 1 1 calc R . . . .
C16 C 0.5987(2) 0.9006(4) 0.34686(18) 0.0471(14) Uani 1 1 d . . . . .
H16 H 0.6359 0.9251 0.3466 0.056 Uiso 1 1 calc R . . . .
C14 C 0.5328(2) 0.8506(3) 0.38729(15) 0.0345(12) Uani 1 1 d . . . . .
C33 C 0.1872(2) 0.3622(4) 0.43879(18) 0.0550(16) Uani 1 1 d . . . . .
H33 H 0.1782 0.3516 0.4646 0.066 Uiso 1 1 calc R . . . .
C48 C 0.2422(2) 0.5709(4) 0.10899(16) 0.0412(13) Uani 1 1 d . . . . .
C7 C 0.5633(2) 0.7096(3) 0.64443(15) 0.0373(12) Uani 1 1 d . . . . .
H7 H 0.5898 0.7157 0.6721 0.045 Uiso 1 1 calc R . . . .
C15 C 0.5868(2) 0.8880(3) 0.38483(17) 0.0400(13) Uani 1 1 d . . . . .
H15 H 0.6160 0.9051 0.4102 0.048 Uiso 1 1 calc R . . . .
C21 C 0.34902(19) 0.7433(3) 0.36482(15) 0.0345(12) Uani 1 1 d . . . . .
H21A H 0.3427 0.6934 0.3443 0.041 Uiso 1 1 calc R . . . .
H21B H 0.3224 0.7932 0.3514 0.041 Uiso 1 1 calc R . . . .
C35 C 0.2548(2) 0.4163(4) 0.40097(16) 0.0392(13) Uani 1 1 d . . . . .
C20 C 0.4316(2) 0.7935(3) 0.34447(16) 0.0403(13) Uani 1 1 d . . . . .
H20 H 0.4056 0.7849 0.3168 0.048 Uiso 1 1 calc R . . . .
C39 C 0.47037(19) 0.5664(4) 0.35220(16) 0.0420(13) Uani 1 1 d . . . . .
H39 H 0.4991 0.5698 0.3792 0.050 Uiso 1 1 calc R . . . .
C51 C 0.08758(19) 0.4500(3) 0.16499(15) 0.0343(12) Uani 1 1 d . . . . .
C32 C 0.1465(2) 0.3405(4) 0.40048(17) 0.0461(14) Uani 1 1 d . . . . .
H32 H 0.1094 0.3149 0.4001 0.055 Uiso 1 1 calc R . . . .
C28 C 0.45601(19) 0.8876(3) 0.50140(17) 0.0348(12) Uani 1 1 d . . . . .
C27 C 0.4593(2) 0.9310(4) 0.54227(16) 0.0529(15) Uani 1 1 d . . . . .
H27A H 0.4914 0.9755 0.5489 0.079 Uiso 1 1 calc GR . . . .
H27B H 0.4675 0.8856 0.5646 0.079 Uiso 1 1 calc GR . . . .
H27C H 0.4214 0.9605 0.5404 0.079 Uiso 1 1 calc GR . . . .
C37 C 0.39628(19) 0.5065(3) 0.38688(15) 0.0361(12) Uani 1 1 d . . . . .
H37A H 0.4232 0.4581 0.4016 0.043 Uiso 1 1 calc R . . . .
H37B H 0.4010 0.5578 0.4065 0.043 Uiso 1 1 calc R . . . .
C59 C 0.1861(2) 0.7299(3) 0.27902(16) 0.0478(14) Uani 1 1 d . . . . .
H59A H 0.2184 0.7738 0.2872 0.072 Uiso 1 1 calc GR . . . .
H59B H 0.1689 0.7215 0.3024 0.072 Uiso 1 1 calc GR . . . .
H59C H 0.1554 0.7515 0.2541 0.072 Uiso 1 1 calc GR . . . .
C22 C 0.33400(19) 0.7130(3) 0.40388(14) 0.0327(12) Uani 1 1 d . . . . .
C6 C 0.5050(2) 0.6760(3) 0.64142(16) 0.0380(12) Uani 1 1 d . . . . .
C8 C 0.64528(18) 0.7600(3) 0.62476(15) 0.0348(12) Uani 1 1 d . . . . .
H8A H 0.6713 0.7080 0.6356 0.042 Uiso 1 1 calc R . . . .
H8B H 0.6530 0.8057 0.6474 0.042 Uiso 1 1 calc R . . . .
C50 C 0.10144(19) 0.4892(3) 0.12709(15) 0.0378(12) Uani 1 1 d . . . . .
H50A H 0.0932 0.4441 0.1042 0.045 Uiso 1 1 calc R . . . .
H50B H 0.0754 0.5415 0.1168 0.045 Uiso 1 1 calc R . . . .
C45 C 0.3498(2) 0.6413(4) 0.1066(2) 0.0515(15) Uani 1 1 d . . . . .
H45 H 0.3868 0.6664 0.1061 0.062 Uiso 1 1 calc R . . . .
C4 C 0.4398(2) 0.6120(4) 0.67955(18) 0.0571(16) Uani 1 1 d . . . . .
H4 H 0.4336 0.5931 0.7054 0.068 Uiso 1 1 calc R . . . .
C36 C 0.3141(2) 0.4525(3) 0.40528(15) 0.0382(12) Uani 1 1 d . . . . .
H36 H 0.3397 0.4599 0.4332 0.046 Uiso 1 1 calc R . . . .
C2 C 0.4045(2) 0.6301(4) 0.60422(17) 0.0461(14) Uani 1 1 d . . . . .
H2 H 0.3736 0.6218 0.5786 0.055 Uiso 1 1 calc R . . . .
C56 C 0.2870(2) 0.3205(4) 0.20776(16) 0.0485(14) Uani 1 1 d . . . . .
H56A H 0.2485 0.2900 0.1979 0.073 Uiso 1 1 calc GR . . . .
H56B H 0.3191 0.2767 0.2111 0.073 Uiso 1 1 calc GR . . . .
H56C H 0.2898 0.3659 0.1870 0.073 Uiso 1 1 calc GR . . . .
C44 C 0.3421(2) 0.6167(4) 0.14463(18) 0.0449(14) Uani 1 1 d . . . . .
H44 H 0.3739 0.6248 0.1698 0.054 Uiso 1 1 calc R . . . .
C9 C 0.65994(19) 0.7982(3) 0.58676(15) 0.0351(12) Uani 1 1 d . . . . .
C1 C 0.4586(2) 0.6688(3) 0.60277(16) 0.0386(13) Uani 1 1 d . . . . .
C17 C 0.5567(3) 0.8778(4) 0.30868(19) 0.0595(17) Uani 1 1 d . . . . .
H17 H 0.5650 0.8872 0.2826 0.071 Uiso 1 1 calc R . . . .
C52 C 0.03049(19) 0.4220(4) 0.16252(16) 0.0467(15) Uani 1 1 d . . . . .
H52 H -0.0012 0.4315 0.1374 0.056 Uiso 1 1 calc R . . . .
C54 C 0.0668(2) 0.3712(4) 0.23338(17) 0.0624(18) Uani 1 1 d . . . . .
H54 H 0.0607 0.3428 0.2575 0.075 Uiso 1 1 calc R . . . .
C46 C 0.3056(2) 0.6305(4) 0.06925(19) 0.0562(16) Uani 1 1 d . . . . .
H46 H 0.3120 0.6461 0.0431 0.067 Uiso 1 1 calc R . . . .
C23 C 0.2784(2) 0.6763(4) 0.40084(17) 0.0453(14) Uani 1 1 d . . . . .
H23 H 0.2493 0.6705 0.3741 0.054 Uiso 1 1 calc R . . . .
C49 C 0.1836(2) 0.5373(4) 0.10600(16) 0.0392(13) Uani 1 1 d . . . . .
H49 H 0.1572 0.5292 0.0784 0.047 Uiso 1 1 calc R . . . .
C40 C 0.4844(2) 0.5923(4) 0.31663(18) 0.0610(18) Uani 1 1 d . . . . .
H40 H 0.5229 0.6152 0.3186 0.073 Uiso 1 1 calc R . . . .
C24 C 0.2664(2) 0.6491(5) 0.43647(19) 0.066(2) Uani 1 1 d . . . . .
H24 H 0.2285 0.6248 0.4350 0.080 Uiso 1 1 calc R . . . .
C34 C 0.2407(2) 0.3993(4) 0.43899(17) 0.0557(16) Uani 1 1 d . . . . .
H34 H 0.2689 0.4138 0.4652 0.067 Uiso 1 1 calc R . . . .
C53 C 0.0203(2) 0.3806(4) 0.19668(17) 0.0589(18) Uani 1 1 d . . . . .
H53 H -0.0182 0.3586 0.1952 0.071 Uiso 1 1 calc R . . . .
C26 C 0.3630(2) 0.6937(4) 0.47558(16) 0.0493(15) Uani 1 1 d . . . . .
H26 H 0.3925 0.6996 0.5021 0.059 Uiso 1 1 calc R . . . .
C42 C 0.3859(2) 0.5538(4) 0.27594(17) 0.0499(15) Uani 1 1 d . . . . .
H42 H 0.3564 0.5500 0.2494 0.060 Uiso 1 1 calc R . . . .
C55 C 0.1220(2) 0.4037(4) 0.23433(16) 0.0505(15) Uani 1 1 d . . . . .
H55 H 0.1538 0.3988 0.2597 0.061 Uiso 1 1 calc R . . . .
C41 C 0.4417(2) 0.5850(4) 0.27745(18) 0.0642(19) Uani 1 1 d . . . . .
H41 H 0.4508 0.6011 0.2523 0.077 Uiso 1 1 calc R . . . .
C47 C 0.2522(3) 0.5968(4) 0.07062(19) 0.0622(18) Uani 1 1 d . . . . .
H47 H 0.2210 0.5905 0.0450 0.075 Uiso 1 1 calc R . . . .
C25 C 0.3090(2) 0.6565(5) 0.47471(17) 0.068(2) Uani 1 1 d . . . . .
H25 H 0.3015 0.6367 0.4999 0.081 Uiso 1 1 calc R . . . .
C18 C 0.5035(2) 0.8419(4) 0.30952(18) 0.0577(16) Uani 1 1 d . . . . .
H18 H 0.4750 0.8259 0.2837 0.069 Uiso 1 1 calc R . . . .
C10 C 0.7174(2) 0.8233(5) 0.58862(18) 0.0585(18) Uani 1 1 d . . . . .
H10 H 0.7492 0.8139 0.6136 0.070 Uiso 1 1 calc R . . . .
C5 C 0.4939(2) 0.6486(4) 0.67872(17) 0.0588(17) Uani 1 1 d . . . . .
H5 H 0.5246 0.6551 0.7046 0.071 Uiso 1 1 calc R . . . .
C13 C 0.6250(2) 0.8460(4) 0.51640(18) 0.0594(18) Uani 1 1 d . . . . .
H13 H 0.5930 0.8519 0.4912 0.071 Uiso 1 1 calc R . . . .
C11 C 0.7277(2) 0.8621(6) 0.5536(2) 0.089(3) Uani 1 1 d . . . . .
H11 H 0.7668 0.8796 0.5544 0.106 Uiso 1 1 calc R . . . .
C12 C 0.6810(2) 0.8757(6) 0.5173(2) 0.093(3) Uani 1 1 d . . . . .
H12 H 0.6874 0.9049 0.4935 0.111 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
Zn01 O8 2.064(3) . ?
Zn01 O11 1.992(3) . ?
Zn01 N8 2.090(4) . ?
Zn01 O10 2.046(3) . ?
Zn01 N7 2.149(4) . ?
Zn02 O8 2.048(3) . ?
Zn02 O9 2.001(3) . ?
Zn02 O6 1.986(3) . ?
Zn02 N6 2.062(4) . ?
Zn02 N5 2.177(4) . ?
Zn03 O3 2.059(3) . ?
Zn03 O0AA 2.004(4) . ?
Zn03 O1 1.989(3) . ?
Zn03 N1 2.074(4) . ?
Zn03 N2 2.168(4) . ?
Zn04 O5 1.986(3) . ?
Zn04 O3 2.062(3) . ?
Zn04 O2 2.043(3) . ?
Zn04 N4 2.088(4) . ?
Zn04 N3 2.153(4) . ?
O8 C57 1.294(5) . ?
O5 C14 1.297(5) . ?
O11 C30 1.292(5) . ?
O9 C58 1.240(5) . ?
O3 C28 1.297(5) . ?
O0AA C60 1.239(6) . ?
O7 C57 1.232(5) . ?
N8 C37 1.465(5) . ?
N8 C36 1.266(6) . ?
O2 C60 1.250(5) . ?
O6 C43 1.308(5) . ?
O4 C28 1.227(6) . ?
O10 C58 1.260(5) . ?
O1 C1 1.299(5) . ?
N4 C21 1.463(5) . ?
N4 C20 1.301(6) . ?
N6 C50 1.461(5) . ?
N6 C49 1.299(6) . ?
N1 C7 1.276(6) . ?
N1 C8 1.454(5) . ?
N5 C51 1.326(6) . ?
N5 C55 1.343(6) . ?
N3 C22 1.336(6) . ?
N3 C26 1.332(6) . ?
N7 C38 1.326(6) . ?
N7 C42 1.347(6) . ?
N2 C9 1.342(6) . ?
N2 C13 1.356(6) . ?
C30 C31 1.419(6) . ?
C30 C35 1.411(6) . ?
C57 C56 1.491(7) . ?
C58 C59 1.478(6) . ?
C43 C48 1.409(7) . ?
C43 C44 1.411(6) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C29 C60 1.495(7) . ?
C3 H3 0.9500 . ?
C3 C4 1.380(7) . ?
C3 C2 1.378(7) . ?
C38 C39 1.397(6) . ?
C38 C37 1.505(6) . ?
C19 C14 1.436(6) . ?
C19 C20 1.439(6) . ?
C19 C18 1.412(7) . ?
C31 H31 0.9500 . ?
C31 C32 1.377(7) . ?
C16 H16 0.9500 . ?
C16 C15 1.377(7) . ?
C16 C17 1.400(7) . ?
C14 C15 1.412(6) . ?
C33 H33 0.9500 . ?
C33 C32 1.385(7) . ?
C33 C34 1.372(7) . ?
C48 C49 1.443(6) . ?
C48 C47 1.411(7) . ?
C7 H7 0.9500 . ?
C7 C6 1.435(6) . ?
C15 H15 0.9500 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.506(6) . ?
C35 C36 1.463(6) . ?
C35 C34 1.415(7) . ?
C20 H20 0.9500 . ?
C39 H39 0.9500 . ?
C39 C40 1.368(7) . ?
C51 C50 1.504(6) . ?
C51 C52 1.385(6) . ?
C32 H32 0.9500 . ?
C28 C27 1.481(7) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C22 C23 1.394(6) . ?
C6 C1 1.422(6) . ?
C6 C5 1.395(7) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C9 1.509(6) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C45 H45 0.9500 . ?
C45 C44 1.374(7) . ?
C45 C46 1.372(8) . ?
C4 H4 0.9500 . ?
C4 C5 1.392(7) . ?
C36 H36 0.9500 . ?
C2 H2 0.9500 . ?
C2 C1 1.410(6) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C44 H44 0.9500 . ?
C9 C10 1.386(6) . ?
C17 H17 0.9500 . ?
C17 C18 1.369(7) . ?
C52 H52 0.9500 . ?
C52 C53 1.370(7) . ?
C54 H54 0.9500 . ?
C54 C53 1.383(7) . ?
C54 C55 1.377(6) . ?
C46 H46 0.9500 . ?
C46 C47 1.365(7) . ?
C23 H23 0.9500 . ?
C23 C24 1.352(7) . ?
C49 H49 0.9500 . ?
C40 H40 0.9500 . ?
C40 C41 1.394(7) . ?
C24 H24 0.9500 . ?
C24 C25 1.370(7) . ?
C34 H34 0.9500 . ?
C53 H53 0.9500 . ?
C26 H26 0.9500 . ?
C26 C25 1.378(7) . ?
C42 H42 0.9500 . ?
C42 C41 1.378(6) . ?
C55 H55 0.9500 . ?
C41 H41 0.9500 . ?
C47 H47 0.9500 . ?
C25 H25 0.9500 . ?
C18 H18 0.9500 . ?
C10 H10 0.9500 . ?
C10 C11 1.379(8) . ?
C5 H5 0.9500 . ?
C13 H13 0.9500 . ?
C13 C12 1.381(7) . ?
C11 H11 0.9500 . ?
C11 C12 1.386(8) . ?
C12 H12 0.9500 . ?

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
O8 Zn01 N8 154.70(14) . . ?
O8 Zn01 N7 93.98(13) . . ?
O11 Zn01 O8 94.46(12) . . ?
O11 Zn01 N8 88.12(14) . . ?
O11 Zn01 O10 99.58(14) . . ?
O11 Zn01 N7 161.90(14) . . ?
N8 Zn01 N7 77.53(15) . . ?
O10 Zn01 O8 95.84(13) . . ?
O10 Zn01 N8 108.56(14) . . ?
O10 Zn01 N7 95.45(14) . . ?
O8 Zn02 N6 146.81(14) . . ?
O8 Zn02 N5 91.96(13) . . ?
O9 Zn02 O8 100.77(13) . . ?
O9 Zn02 N6 111.18(14) . . ?
O9 Zn02 N5 94.11(14) . . ?
O6 Zn02 O8 92.55(13) . . ?
O6 Zn02 O9 102.71(15) . . ?
O6 Zn02 N6 89.11(14) . . ?
O6 Zn02 N5 161.44(15) . . ?
N6 Zn02 N5 77.39(15) . . ?
O3 Zn03 N1 147.42(14) . . ?
O3 Zn03 N2 91.55(14) . . ?
O0AA Zn03 O3 100.69(13) . . ?
O0AA Zn03 N1 110.49(14) . . ?
O0AA Zn03 N2 93.24(15) . . ?
O1 Zn03 O3 93.16(13) . . ?
O1 Zn03 O0AA 103.25(16) . . ?
O1 Zn03 N1 88.84(14) . . ?
O1 Zn03 N2 161.67(16) . . ?
N1 Zn03 N2 77.79(15) . . ?
O5 Zn04 O3 95.26(12) . . ?
O5 Zn04 O2 98.97(14) . . ?
O5 Zn04 N4 88.83(14) . . ?
O5 Zn04 N3 162.67(14) . . ?
O3 Zn04 N4 154.80(14) . . ?
O3 Zn04 N3 93.47(13) . . ?
O2 Zn04 O3 95.89(13) . . ?
O2 Zn04 N4 108.05(14) . . ?
O2 Zn04 N3 94.98(14) . . ?
N4 Zn04 N3 77.05(15) . . ?
Zn02 O8 Zn01 122.92(16) . . ?
C57 O8 Zn01 106.0(3) . . ?
C57 O8 Zn02 130.6(3) . . ?
C14 O5 Zn04 129.6(3) . . ?
C30 O11 Zn01 129.7(3) . . ?
C58 O9 Zn02 135.2(3) . . ?
Zn03 O3 Zn04 123.04(16) . . ?
C28 O3 Zn03 130.2(3) . . ?
C28 O3 Zn04 106.2(3) . . ?
C60 O0AA Zn03 133.2(4) . . ?
C37 N8 Zn01 117.2(3) . . ?
C36 N8 Zn01 125.6(3) . . ?
C36 N8 C37 117.1(4) . . ?
C60 O2 Zn04 138.7(3) . . ?
C43 O6 Zn02 130.2(3) . . ?
C58 O10 Zn01 139.9(3) . . ?
C1 O1 Zn03 130.6(3) . . ?
C21 N4 Zn04 118.2(3) . . ?
C20 N4 Zn04 125.0(3) . . ?
C20 N4 C21 116.6(4) . . ?
C50 N6 Zn02 117.2(3) . . ?
C49 N6 Zn02 126.0(3) . . ?
C49 N6 C50 116.6(4) . . ?
C7 N1 Zn03 125.7(3) . . ?
C7 N1 C8 117.1(4) . . ?
C8 N1 Zn03 117.1(3) . . ?
C51 N5 Zn02 114.7(3) . . ?
C51 N5 C55 119.4(4) . . ?
C55 N5 Zn02 125.1(3) . . ?
C22 N3 Zn04 116.6(3) . . ?
C26 N3 Zn04 125.1(3) . . ?
C26 N3 C22 118.0(4) . . ?
C38 N7 Zn01 116.5(3) . . ?
C38 N7 C42 119.2(4) . . ?
C42 N7 Zn01 124.3(3) . . ?
C9 N2 Zn03 114.0(3) . . ?
C9 N2 C13 120.5(4) . . ?
C13 N2 Zn03 124.2(3) . . ?
O11 C30 C31 119.2(4) . . ?
O11 C30 C35 124.1(4) . . ?
C35 C30 C31 116.6(4) . . ?
O8 C57 C56 118.2(4) . . ?
O7 C57 O8 120.0(5) . . ?
O7 C57 C56 121.8(5) . . ?
O9 C58 O10 124.9(5) . . ?
O9 C58 C59 117.6(4) . . ?
O10 C58 C59 117.5(4) . . ?
O6 C43 C48 124.0(4) . . ?
O6 C43 C44 119.5(4) . . ?
C48 C43 C44 116.5(5) . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C60 C29 H29A 109.5 . . ?
C60 C29 H29B 109.5 . . ?
C60 C29 H29C 109.5 . . ?
C4 C3 H3 119.4 . . ?
C2 C3 H3 119.4 . . ?
C2 C3 C4 121.1(5) . . ?
N7 C38 C39 122.0(5) . . ?
N7 C38 C37 118.0(4) . . ?
C39 C38 C37 119.9(4) . . ?
C14 C19 C20 123.8(5) . . ?
C18 C19 C14 119.9(5) . . ?
C18 C19 C20 116.2(5) . . ?
O0AA C60 O2 127.7(5) . . ?
O0AA C60 C29 116.5(5) . . ?
O2 C60 C29 115.9(5) . . ?
C30 C31 H31 119.0 . . ?
C32 C31 C30 122.0(5) . . ?
C32 C31 H31 119.0 . . ?
C15 C16 H16 119.6 . . ?
C15 C16 C17 120.8(5) . . ?
C17 C16 H16 119.6 . . ?
O5 C14 C19 124.0(4) . . ?
O5 C14 C15 119.5(4) . . ?
C15 C14 C19 116.5(5) . . ?
C32 C33 H33 120.5 . . ?
C34 C33 H33 120.5 . . ?
C34 C33 C32 119.1(5) . . ?
C43 C48 C49 123.9(5) . . ?
C43 C48 C47 120.0(5) . . ?
C47 C48 C49 116.1(5) . . ?
N1 C7 H7 116.5 . . ?
N1 C7 C6 127.1(5) . . ?
C6 C7 H7 116.5 . . ?
C16 C15 C14 122.1(5) . . ?
C16 C15 H15 118.9 . . ?
C14 C15 H15 118.9 . . ?
N4 C21 H21A 109.6 . . ?
N4 C21 H21B 109.6 . . ?
N4 C21 C22 110.1(4) . . ?
H21A C21 H21B 108.1 . . ?
C22 C21 H21A 109.6 . . ?
C22 C21 H21B 109.6 . . ?
C30 C35 C36 123.5(5) . . ?
C30 C35 C34 120.1(4) . . ?
C34 C35 C36 116.4(4) . . ?
N4 C20 C19 126.1(5) . . ?
N4 C20 H20 117.0 . . ?
C19 C20 H20 117.0 . . ?
C38 C39 H39 120.6 . . ?
C40 C39 C38 118.9(5) . . ?
C40 C39 H39 120.6 . . ?
N5 C51 C50 117.6(4) . . ?
N5 C51 C52 121.7(5) . . ?
C52 C51 C50 120.7(4) . . ?
C31 C32 C33 120.8(5) . . ?
C31 C32 H32 119.6 . . ?
C33 C32 H32 119.6 . . ?
O3 C28 C27 119.2(5) . . ?
O4 C28 O3 118.8(5) . . ?
O4 C28 C27 122.0(5) . . ?
C28 C27 H27A 109.5 . . ?
C28 C27 H27B 109.5 . . ?
C28 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N8 C37 C38 110.7(4) . . ?
N8 C37 H37A 109.5 . . ?
N8 C37 H37B 109.5 . . ?
C38 C37 H37A 109.5 . . ?
C38 C37 H37B 109.5 . . ?
H37A C37 H37B 108.1 . . ?
C58 C59 H59A 109.5 . . ?
C58 C59 H59B 109.5 . . ?
C58 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
N3 C22 C21 117.8(4) . . ?
N3 C22 C23 121.7(5) . . ?
C23 C22 C21 120.4(4) . . ?
C1 C6 C7 123.7(5) . . ?
C5 C6 C7 117.5(5) . . ?
C5 C6 C1 118.8(5) . . ?
N1 C8 H8A 109.4 . . ?
N1 C8 H8B 109.4 . . ?
N1 C8 C9 111.1(4) . . ?
H8A C8 H8B 108.0 . . ?
C9 C8 H8A 109.4 . . ?
C9 C8 H8B 109.4 . . ?
N6 C50 C51 111.0(4) . . ?
N6 C50 H50A 109.4 . . ?
N6 C50 H50B 109.4 . . ?
C51 C50 H50A 109.4 . . ?
C51 C50 H50B 109.4 . . ?
H50A C50 H50B 108.0 . . ?
C44 C45 H45 119.1 . . ?
C46 C45 H45 119.1 . . ?
C46 C45 C44 121.7(5) . . ?
C3 C4 H4 121.0 . . ?
C3 C4 C5 118.0(5) . . ?
C5 C4 H4 121.0 . . ?
N8 C36 C35 126.2(4) . . ?
N8 C36 H36 116.9 . . ?
C35 C36 H36 116.9 . . ?
C3 C2 H2 119.1 . . ?
C3 C2 C1 121.8(5) . . ?
C1 C2 H2 119.1 . . ?
C57 C56 H56A 109.5 . . ?
C57 C56 H56B 109.5 . . ?
C57 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C43 C44 H44 119.2 . . ?
C45 C44 C43 121.6(5) . . ?
C45 C44 H44 119.2 . . ?
N2 C9 C8 117.7(4) . . ?
N2 C9 C10 120.8(5) . . ?
C10 C9 C8 121.5(4) . . ?
O1 C1 C6 123.4(4) . . ?
O1 C1 C2 119.0(4) . . ?
C2 C1 C6 117.6(5) . . ?
C16 C17 H17 120.5 . . ?
C18 C17 C16 119.0(5) . . ?
C18 C17 H17 120.5 . . ?
C51 C52 H52 120.4 . . ?
C53 C52 C51 119.2(5) . . ?
C53 C52 H52 120.4 . . ?
C53 C54 H54 120.6 . . ?
C55 C54 H54 120.6 . . ?
C55 C54 C53 118.8(5) . . ?
C45 C46 H46 120.8 . . ?
C47 C46 C45 118.4(5) . . ?
C47 C46 H46 120.8 . . ?
C22 C23 H23 120.5 . . ?
C24 C23 C22 119.0(5) . . ?
C24 C23 H23 120.5 . . ?
N6 C49 C48 126.0(5) . . ?
N6 C49 H49 117.0 . . ?
C48 C49 H49 117.0 . . ?
C39 C40 H40 120.4 . . ?
C39 C40 C41 119.2(5) . . ?
C41 C40 H40 120.4 . . ?
C23 C24 H24 120.0 . . ?
C23 C24 C25 119.9(5) . . ?
C25 C24 H24 120.0 . . ?
C33 C34 C35 121.4(5) . . ?
C33 C34 H34 119.3 . . ?
C35 C34 H34 119.3 . . ?
C52 C53 C54 119.1(5) . . ?
C52 C53 H53 120.4 . . ?
C54 C53 H53 120.4 . . ?
N3 C26 H26 118.5 . . ?
N3 C26 C25 123.1(5) . . ?
C25 C26 H26 118.5 . . ?
N7 C42 H42 119.0 . . ?
N7 C42 C41 122.0(5) . . ?
C41 C42 H42 119.0 . . ?
N5 C55 C54 121.7(5) . . ?
N5 C55 H55 119.1 . . ?
C54 C55 H55 119.1 . . ?
C40 C41 H41 120.6 . . ?
C42 C41 C40 118.7(5) . . ?
C42 C41 H41 120.6 . . ?
C48 C47 H47 119.1 . . ?
C46 C47 C48 121.8(5) . . ?
C46 C47 H47 119.1 . . ?
C24 C25 C26 118.2(5) . . ?
C24 C25 H25 120.9 . . ?
C26 C25 H25 120.9 . . ?
C19 C18 H18 119.2 . . ?
C17 C18 C19 121.6(5) . . ?
C17 C18 H18 119.2 . . ?
C9 C10 H10 120.5 . . ?
C11 C10 C9 119.0(5) . . ?
C11 C10 H10 120.5 . . ?
C6 C5 H5 118.6 . . ?
C4 C5 C6 122.7(5) . . ?
C4 C5 H5 118.6 . . ?
N2 C13 H13 119.6 . . ?
N2 C13 C12 120.8(5) . . ?
C12 C13 H13 119.6 . . ?
C10 C11 H11 119.9 . . ?
C10 C11 C12 120.2(5) . . ?
C12 C11 H11 119.9 . . ?
C13 C12 C11 118.6(6) . . ?
C13 C12 H12 120.7 . . ?
C11 C12 H12 120.7 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.261
_oxdiff_exptl_absorpt_empirical_full_min 0.783
####################################################################### 
# 
# 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_ad_sdg_mono_sal_01m
_database_code_depnum_ccdc_archive 'CCDC 2062599'
loop_
_audit_author_name
_audit_author_address
'Souradip Dasgupta'
;IIT Bombay
India
;
_audit_update_record             
;
2021-02-11 deposited with the CCDC.	2021-08-11 downloaded from the CCDC.
;
_audit_creation_date             2021-01-13
_audit_creation_method           
;
Olex2 1.3-ac4
(compiled 2019.04.23 svn.r3594 for Rigaku Oxford Diffraction, GUI svn.r5739)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'2(C26 H22 N4 O2 Zn), 2(Cl O4), 2(H2 O), 2(C H4 O)'
_chemical_formula_sum            'C54 H56 Cl2 N7 O17 Zn2'
_chemical_formula_weight         1276.69
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 '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           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   27.9433(17)
_cell_length_b                   13.2179(8)
_cell_length_c                   31.7637(17)
_cell_angle_alpha                90
_cell_angle_beta                 107.063(2)
_cell_angle_gamma                90
_cell_volume                     11215.6(11)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9700
_cell_measurement_temperature    150.0
_cell_measurement_theta_max      28.27
_cell_measurement_theta_min      2.67
_shelx_estimated_absorpt_T_max   0.810
_shelx_estimated_absorpt_T_min   0.756
_exptl_absorpt_coefficient_mu    1.029
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6501
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0783 before and 0.0580 after correction. The Ratio of minimum to maximum transmission is 0.8718. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.512
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5272
_exptl_crystal_size_max          0.288
_exptl_crystal_size_mid          0.233
_exptl_crystal_size_min          0.214
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0899
_diffrn_reflns_av_unetI/netI     0.0459
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            142386
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.359
_diffrn_reflns_theta_min         1.925
_diffrn_ambient_temperature      150.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10523
_reflns_number_total             14005
_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       'SAINT V8.40A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.846
_refine_diff_density_min         -0.845
_refine_diff_density_rms         0.170
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     749
_refine_ls_number_reflns         14005
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0878
_refine_ls_R_factor_gt           0.0622
_refine_ls_restrained_S_all      1.099
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0752P)²+47.2636P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1607
_refine_ls_wR_factor_ref         0.1782
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2.a Free rotating group:
 O01E(H01Q,H01T), O01W(H01W,H01Y)
2.b Secondary CH2 refined with riding coordinates:
 C00Z(H00A,H00B), C01F(H01F,H01G), C01I(H01C,H01D), C01T(H01I,H01J)
2.c Aromatic/amide H refined with riding coordinates:
 C00J(H00J), C00L(H00L), C00M(H00M), C00Q(H00Q), C00R(H00R), C00V(H00V),
 C00Y(H00Y), C010(H010), C011(H011), C012(H012), C013(H013), C014(H014),
 C015(H015), C016(H016), C018(H018), C019(H019), C01A(H01A), C01B(H01B),
 C01D(H01E), C01G(H01H), C01K(H01K), C01L(H01L), C01M(H01M), C01N(H01N),
 C01O(H01O), C01P(H01P), C01R(H01R), C01S(H01S), C01U(H01U), C01X(H01X),
 C01Z(H01Z), C020(H020), C021(H021), C022(H022), C024(H024), C025(H025)
2.d Idealised Me refined as rotating group:
 C023(H02A,H02B,H02C), C028(H02D,H02E,H02F)
2.e Idealised tetrahedral OH refined as rotating group:
 O01V(H01V), O027(H027)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_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
Zn01 Zn 0.83978(2) 0.40966(3) 0.42668(2) 0.02655(11) Uani 1 1 d . . . . .
Zn02 Zn 0.65812(2) 0.44396(3) 0.32633(2) 0.02865(12) Uani 1 1 d . . . . .
Cl03 Cl 1.00790(5) 0.12873(9) 0.41984(4) 0.0496(3) Uani 1 1 d . . . . .
Cl04 Cl 0.90672(5) 0.54815(9) 0.65402(4) 0.0530(3) Uani 1 1 d . . . . .
O005 O 0.77854(9) 0.31228(19) 0.40117(8) 0.0276(5) Uani 1 1 d . . . . .
O006 O 0.69723(10) 0.39222(19) 0.39167(8) 0.0281(5) Uani 1 1 d . . . . .
O007 O 0.78895(10) 0.52216(19) 0.39058(8) 0.0301(6) Uani 1 1 d . . . . .
O008 O 0.72876(10) 0.4783(2) 0.32008(8) 0.0312(6) Uani 1 1 d . . . . .
N009 N 0.82265(11) 0.4758(3) 0.48123(10) 0.0289(7) Uani 1 1 d . . . . .
N00A N 0.87770(12) 0.3095(3) 0.47908(10) 0.0314(7) Uani 1 1 d . . . . .
N00B N 0.86775(12) 0.3482(2) 0.37763(10) 0.0280(6) Uani 1 1 d . . . . .
N00C N 0.66434(12) 0.3084(2) 0.29307(10) 0.0312(7) Uani 1 1 d . . . . .
N00D N 0.58883(12) 0.3661(2) 0.32484(11) 0.0321(7) Uani 1 1 d . . . . .
N00E N 0.90625(12) 0.5020(3) 0.43340(11) 0.0336(7) Uani 1 1 d . . . . .
N00F N 0.61701(13) 0.5400(3) 0.27288(11) 0.0332(7) Uani 1 1 d . . . . .
C00G C 0.66702(14) 0.5105(3) 0.43557(12) 0.0284(7) Uani 1 1 d . . . . .
N00H N 0.64542(13) 0.5743(2) 0.36019(11) 0.0315(7) Uani 1 1 d . . . . .
C00I C 0.69143(13) 0.4200(3) 0.43072(12) 0.0256(7) Uani 1 1 d . . . . .
C00J C 0.70979(14) 0.3580(3) 0.46745(12) 0.0299(8) Uani 1 1 d . . . . .
H00J H 0.726998 0.297559 0.464722 0.036 Uiso 1 1 calc R . . . .
C00K C 0.77724(14) 0.2245(3) 0.37962(11) 0.0252(7) Uani 1 1 d . . . . .
C00L C 0.73788(15) 0.1554(3) 0.37630(12) 0.0311(8) Uani 1 1 d . . . . .
H00L H 0.712614 0.171357 0.389757 0.037 Uiso 1 1 calc R . . . .
C00M C 0.70342(16) 0.3829(3) 0.50787(13) 0.0365(9) Uani 1 1 d . . . . .
H00M H 0.716074 0.339324 0.532391 0.044 Uiso 1 1 calc R . . . .
C00N C 0.87110(15) 0.3282(3) 0.51860(12) 0.0327(8) Uani 1 1 d . . . . .
O00O O 0.9094(2) 0.4571(3) 0.63275(15) 0.104(2) Uani 1 1 d . . . . .
C00P C 0.58333(16) 0.2735(3) 0.30652(13) 0.0342(8) Uani 1 1 d . . . . .
C00Q C 0.66088(17) 0.5339(3) 0.47690(14) 0.0386(9) Uani 1 1 d . . . . .
H00Q H 0.644014 0.594400 0.480185 0.046 Uiso 1 1 calc R . . . .
C00R C 0.85514(14) 0.2650(3) 0.35702(12) 0.0294(8) Uani 1 1 d . . . . .
H00R H 0.874635 0.243695 0.338666 0.035 Uiso 1 1 calc R . . . .
C00S C 0.75295(15) 0.4390(3) 0.29317(12) 0.0306(8) Uani 1 1 d . . . . .
C00T C 0.79072(15) 0.6388(3) 0.44881(14) 0.0342(9) Uani 1 1 d . . . . .
C00U C 0.73923(16) 0.3453(3) 0.27135(12) 0.0340(8) Uani 1 1 d . . . . .
C00V C 0.80802(15) 0.5664(3) 0.48425(13) 0.0344(9) Uani 1 1 d . . . . .
H00V H 0.808543 0.588643 0.512818 0.041 Uiso 1 1 calc R . . . .
C00W C 0.81386(15) 0.1993(3) 0.35875(12) 0.0292(8) Uani 1 1 d . . . . .
C00X C 0.78030(14) 0.6162(3) 0.40373(13) 0.0302(8) Uani 1 1 d . . . . .
C00Y C 0.92987(17) 0.1682(4) 0.50909(15) 0.0439(10) Uani 1 1 d . . . . .
H00Y H 0.950128 0.113483 0.505035 0.053 Uiso 1 1 calc R . . . .
C00Z C 0.83822(16) 0.4168(3) 0.52227(13) 0.0377(9) Uani 1 1 d . . . . .
H00A H 0.808135 0.391368 0.529311 0.045 Uiso 1 1 calc R . . . .
H00B H 0.856751 0.461278 0.546687 0.045 Uiso 1 1 calc R . . . .
C010 C 0.69722(16) 0.2849(3) 0.27412(13) 0.0348(9) Uani 1 1 d . . . . .
H010 H 0.693662 0.220433 0.260289 0.042 Uiso 1 1 calc R . . . .
C011 C 0.89329(16) 0.2679(4) 0.55502(14) 0.0411(10) Uani 1 1 d . . . . .
H011 H 0.888429 0.281925 0.582813 0.049 Uiso 1 1 calc R . . . .
C012 C 0.73526(17) 0.0649(3) 0.35387(15) 0.0397(10) Uani 1 1 d . . . . .
H012 H 0.708381 0.019555 0.352155 0.048 Uiso 1 1 calc R . . . .
C013 C 0.79476(16) 0.4907(4) 0.28737(13) 0.0386(9) Uani 1 1 d . . . . .
H013 H 0.804012 0.554211 0.301378 0.046 Uiso 1 1 calc R . . . .
C014 C 0.78159(18) 0.7377(3) 0.46034(16) 0.0441(10) Uani 1 1 d . . . . .
H014 H 0.789121 0.754868 0.490627 0.053 Uiso 1 1 calc R . . . .
C015 C 0.67871(18) 0.4711(4) 0.51270(14) 0.0427(10) Uani 1 1 d . . . . .
H015 H 0.674133 0.488056 0.540328 0.051 Uiso 1 1 calc R . . . .
C016 C 0.76045(17) 0.6896(3) 0.37284(14) 0.0382(9) Uani 1 1 d . . . . .
H016 H 0.753179 0.673944 0.342422 0.046 Uiso 1 1 calc R . . . .
O017 O 0.8689(2) 0.6099(4) 0.6262(2) 0.1002(17) Uani 1 1 d . . . . .
C018 C 0.76864(18) 0.3064(4) 0.24592(14) 0.0439(11) Uani 1 1 d . . . . .
H018 H 0.759981 0.242972 0.231621 0.053 Uiso 1 1 calc R . . . .
C019 C 0.64804(15) 0.5849(3) 0.40081(13) 0.0318(8) Uani 1 1 d . . . . .
H019 H 0.636492 0.647167 0.409133 0.038 Uiso 1 1 calc R . . . .
C01A C 0.92266(17) 0.1868(4) 0.54989(15) 0.0466(11) Uani 1 1 d . . . . .
H01A H 0.937812 0.144094 0.574208 0.056 Uiso 1 1 calc R . . . .
C01B C 0.90680(16) 0.2313(3) 0.47489(14) 0.0378(9) Uani 1 1 d . . . . .
H01B H 0.911587 0.219218 0.446912 0.045 Uiso 1 1 calc R . . . .
C01C C 0.93336(15) 0.4745(3) 0.40672(14) 0.0378(9) Uani 1 1 d . . . . .
C01D C 0.54019(18) 0.2168(3) 0.30138(15) 0.0443(10) Uani 1 1 d . . . . .
H01E H 0.536654 0.152438 0.287458 0.053 Uiso 1 1 calc R . . . .
O01E O 0.8898(2) 0.6869(4) 0.54848(17) 0.0937(16) Uani 1 1 d . . . . .
H01Q H 0.892506 0.657412 0.573561 0.141 Uiso 1 1 d G . . . .
H01T H 0.916505 0.724102 0.553311 0.141 Uiso 1 1 d G . . . .
C01F C 0.62548(17) 0.2325(3) 0.29098(16) 0.0421(10) Uani 1 1 d . . . . .
H01F H 0.640610 0.173724 0.309434 0.051 Uiso 1 1 calc R . . . .
H01G H 0.611888 0.208554 0.260241 0.051 Uiso 1 1 calc R . . . .
C01G C 0.82246(18) 0.4511(4) 0.26190(15) 0.0447(11) Uani 1 1 d . . . . .
H01H H 0.850338 0.487656 0.258417 0.054 Uiso 1 1 calc R . . . .
C01H C 0.60316(15) 0.6306(3) 0.28464(14) 0.0342(8) Uani 1 1 d . . . . .
C01I C 0.91114(16) 0.4000(3) 0.37085(14) 0.0372(9) Uani 1 1 d . . . . .
H01C H 0.900861 0.435762 0.342206 0.045 Uiso 1 1 calc R . . . .
H01D H 0.936823 0.349345 0.369728 0.045 Uiso 1 1 calc R . . . .
O01J O 0.8965(2) 0.5318(5) 0.69402(16) 0.1063(19) Uani 1 1 d . . . . .
C01K C 0.50798(18) 0.3491(4) 0.33562(16) 0.0474(11) Uani 1 1 d . . . . .
H01K H 0.482434 0.377146 0.346271 0.057 Uiso 1 1 calc R . . . .
C01L C 0.80984(18) 0.1063(3) 0.33598(15) 0.0419(10) Uani 1 1 d . . . . .
H01L H 0.834323 0.089494 0.321774 0.050 Uiso 1 1 calc R . . . .
C01M C 0.77168(18) 0.0399(3) 0.33385(16) 0.0457(11) Uani 1 1 d . . . . .
H01M H 0.770096 -0.022666 0.318815 0.055 Uiso 1 1 calc R . . . .
C01N C 0.59866(17) 0.5112(4) 0.23076(14) 0.0415(10) Uani 1 1 d . . . . .
H01N H 0.607940 0.447005 0.222253 0.050 Uiso 1 1 calc R . . . .
C01O C 0.7621(2) 0.8104(3) 0.42919(18) 0.0526(13) Uani 1 1 d . . . . .
H01O H 0.756376 0.876991 0.437959 0.063 Uiso 1 1 calc R . . . .
C01P C 0.57132(17) 0.6951(3) 0.25491(16) 0.0422(10) Uani 1 1 d . . . . .
H01P H 0.562351 0.758846 0.264155 0.051 Uiso 1 1 calc R . . . .
O01Q O 1.03348(18) 0.1338(6) 0.38786(16) 0.116(2) Uani 1 1 d . . . . .
C01R C 0.55178(16) 0.4031(4) 0.33886(14) 0.0403(9) Uani 1 1 d . . . . .
H01R H 0.555399 0.468728 0.351556 0.048 Uiso 1 1 calc R . . . .
C01S C 0.50248(18) 0.2550(4) 0.31678(16) 0.0486(11) Uani 1 1 d . . . . .
H01S H 0.473086 0.216478 0.314342 0.058 Uiso 1 1 calc R . . . .
C01T C 0.62505(18) 0.6613(3) 0.33205(14) 0.0397(10) Uani 1 1 d . . . . .
H01I H 0.651999 0.711478 0.334304 0.048 Uiso 1 1 calc R . . . .
H01J H 0.598753 0.693930 0.342533 0.048 Uiso 1 1 calc R . . . .
C01U C 0.75086(19) 0.7867(3) 0.38558(17) 0.0477(11) Uani 1 1 d . . . . .
H01U H 0.736536 0.836240 0.363889 0.057 Uiso 1 1 calc R . . . .
O01V O 0.8806(3) 0.7977(5) 0.32643(18) 0.114(2) Uani 1 1 d . . . . .
H01V H 0.882490 0.842363 0.345685 0.171 Uiso 1 1 calc GR . . . .
O01W O 0.9534(2) 0.5123(5) 0.2841(2) 0.1013(17) Uani 1 1 d . . . . .
H01W H 0.948459 0.488572 0.257582 0.152 Uiso 1 1 d G . . . .
H01Y H 0.983224 0.491452 0.298484 0.152 Uiso 1 1 d G . . . .
C01X C 0.80986(19) 0.3581(4) 0.24123(15) 0.0485(12) Uani 1 1 d . . . . .
H01X H 0.829323 0.330308 0.224064 0.058 Uiso 1 1 calc R . . . .
O01Y O 0.9559(2) 0.1402(6) 0.40163(16) 0.144(3) Uani 1 1 d . . . . .
C01Z C 0.5670(2) 0.5711(4) 0.19950(16) 0.0514(12) Uani 1 1 d . . . . .
H01Z H 0.554841 0.548593 0.169855 0.062 Uiso 1 1 calc R . . . .
C020 C 0.55287(18) 0.6649(4) 0.21158(16) 0.0501(12) Uani 1 1 d . . . . .
H020 H 0.530916 0.707399 0.190413 0.060 Uiso 1 1 calc R . . . .
C021 C 0.98068(19) 0.5158(5) 0.4111(2) 0.0625(15) Uani 1 1 d . . . . .
H021 H 0.999642 0.495347 0.392183 0.075 Uiso 1 1 calc R . . . .
C022 C 0.92498(19) 0.5713(4) 0.46464(17) 0.0505(12) Uani 1 1 d . . . . .
H022 H 0.905445 0.591007 0.483210 0.061 Uiso 1 1 calc R . . . .
C023 C 0.8855(3) 0.7038(6) 0.3457(3) 0.099(3) Uani 1 1 d . . . . .
H02A H 0.882115 0.651613 0.323099 0.148 Uiso 1 1 calc GR . . . .
H02B H 0.859312 0.694437 0.360260 0.148 Uiso 1 1 calc GR . . . .
H02C H 0.918435 0.698177 0.367544 0.148 Uiso 1 1 calc GR . . . .
C024 C 0.9716(2) 0.6158(5) 0.4711(2) 0.0667(16) Uani 1 1 d . . . . .
H024 H 0.984094 0.664378 0.493735 0.080 Uiso 1 1 calc R . . . .
C025 C 0.9990(2) 0.5865(6) 0.4435(3) 0.088(2) Uani 1 1 d . . . . .
H025 H 1.030999 0.615696 0.446882 0.105 Uiso 1 1 calc R . . . .
O026 O 1.0150(3) 0.0330(6) 0.4355(4) 0.212(5) Uani 1 1 d . . . . .
O027 O 0.9071(4) 0.9245(6) 0.3986(3) 0.180(4) Uani 1 1 d . . . . .
H027 H 0.899943 0.877275 0.380111 0.270 Uiso 1 1 calc GR . . . .
C028 C 0.9141(4) 0.8869(9) 0.4391(3) 0.135(4) Uani 1 1 d . . . . .
H02D H 0.888554 0.835515 0.438266 0.202 Uiso 1 1 calc GR . . . .
H02E H 0.911347 0.941568 0.459092 0.202 Uiso 1 1 calc GR . . . .
H02F H 0.947388 0.856227 0.449463 0.202 Uiso 1 1 calc GR . . . .
O1 O 0.9531(2) 0.5995(5) 0.6628(2) 0.1092(19) Uani 1 1 d . . . . .
O2 O 1.0267(3) 0.1909(7) 0.4536(2) 0.176(4) 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
Zn01 O005 2.104(2) . ?
Zn01 O007 2.142(3) . ?
Zn01 N009 2.117(3) . ?
Zn01 N00A 2.148(3) . ?
Zn01 N00B 2.101(3) . ?
Zn01 N00E 2.180(3) . ?
Zn02 O006 2.154(3) . ?
Zn02 O008 2.091(3) . ?
Zn02 N00C 2.113(3) . ?
Zn02 N00D 2.181(3) . ?
Zn02 N00F 2.161(3) . ?
Zn02 N00H 2.116(3) . ?
Cl03 O01Q 1.405(5) . ?
Cl03 O01Y 1.406(5) . ?
Cl03 O026 1.354(6) . ?
Cl03 O2 1.331(5) . ?
Cl04 O00O 1.393(4) . ?
Cl04 O017 1.421(5) . ?
Cl04 O01J 1.398(5) . ?
Cl04 O1 1.417(5) . ?
O005 C00K 1.342(4) . ?
O006 C00I 1.348(4) . ?
O007 C00X 1.355(4) . ?
O008 C00S 1.340(4) . ?
N009 C00V 1.278(5) . ?
N009 C00Z 1.471(5) . ?
N00A C00N 1.344(5) . ?
N00A C01B 1.346(5) . ?
N00B C00R 1.275(5) . ?
N00B C01I 1.462(5) . ?
N00C C010 1.276(5) . ?
N00C C01F 1.466(5) . ?
N00D C00P 1.344(5) . ?
N00D C01R 1.334(5) . ?
N00E C01C 1.342(5) . ?
N00E C022 1.339(6) . ?
N00F C01H 1.345(5) . ?
N00F C01N 1.340(5) . ?
C00G C00I 1.408(5) . ?
C00G C00Q 1.407(5) . ?
C00G C019 1.457(5) . ?
N00H C019 1.278(5) . ?
N00H C01T 1.465(5) . ?
C00I C00J 1.394(5) . ?
C00J C00M 1.387(5) . ?
C00K C00L 1.410(5) . ?
C00K C00W 1.413(5) . ?
C00L C012 1.383(6) . ?
C00M C015 1.386(6) . ?
C00N C00Z 1.513(6) . ?
C00N C011 1.392(6) . ?
C00P C01D 1.388(6) . ?
C00P C01F 1.505(6) . ?
C00Q C015 1.377(6) . ?
C00R C00W 1.458(5) . ?
C00S C00U 1.416(6) . ?
C00S C013 1.411(6) . ?
C00T C00V 1.449(6) . ?
C00T C00X 1.407(5) . ?
C00T C014 1.400(6) . ?
C00U C010 1.444(6) . ?
C00U C018 1.408(6) . ?
C00W C01L 1.414(5) . ?
C00X C016 1.375(6) . ?
C00Y C01A 1.391(7) . ?
C00Y C01B 1.371(6) . ?
C011 C01A 1.389(7) . ?
C012 C01M 1.389(7) . ?
C013 C01G 1.376(6) . ?
C014 C01O 1.373(7) . ?
C016 C01U 1.395(6) . ?
C018 C01X 1.385(7) . ?
C01C C01I 1.496(6) . ?
C01C C021 1.399(6) . ?
C01D C01S 1.381(7) . ?
C01G C01X 1.390(7) . ?
C01H C01P 1.384(6) . ?
C01H C01T 1.505(6) . ?
C01K C01R 1.394(6) . ?
C01K C01S 1.370(7) . ?
C01L C01M 1.367(6) . ?
C01N C01Z 1.370(7) . ?
C01O C01U 1.364(7) . ?
C01P C020 1.379(7) . ?
O01V C023 1.374(9) . ?
C01Z C020 1.389(8) . ?
C021 C025 1.373(8) . ?
C022 C024 1.388(7) . ?
C024 C025 1.380(9) . ?
O027 C028 1.338(11) . ?

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
O005 Zn01 O007 83.21(10) . . ?
O005 Zn01 N009 102.35(11) . . ?
O005 Zn01 N00A 94.69(11) . . ?
O005 Zn01 N00E 162.45(11) . . ?
O007 Zn01 N00A 160.37(11) . . ?
O007 Zn01 N00E 94.34(12) . . ?
N009 Zn01 O007 82.99(11) . . ?
N009 Zn01 N00A 78.39(13) . . ?
N009 Zn01 N00E 94.56(12) . . ?
N00A Zn01 N00E 93.27(13) . . ?
N00B Zn01 O005 85.15(11) . . ?
N00B Zn01 O007 101.78(11) . . ?
N00B Zn01 N009 171.63(12) . . ?
N00B Zn01 N00A 97.47(12) . . ?
N00B Zn01 N00E 78.32(12) . . ?
O006 Zn02 N00D 93.86(11) . . ?
O006 Zn02 N00F 161.11(11) . . ?
O008 Zn02 O006 86.23(10) . . ?
O008 Zn02 N00C 85.30(12) . . ?
O008 Zn02 N00D 163.16(11) . . ?
O008 Zn02 N00F 95.55(12) . . ?
O008 Zn02 N00H 100.09(12) . . ?
N00C Zn02 O006 96.87(11) . . ?
N00C Zn02 N00D 77.96(13) . . ?
N00C Zn02 N00F 102.02(12) . . ?
N00C Zn02 N00H 174.59(13) . . ?
N00F Zn02 N00D 89.80(12) . . ?
N00H Zn02 O006 83.24(11) . . ?
N00H Zn02 N00D 96.63(13) . . ?
N00H Zn02 N00F 77.93(13) . . ?
O01Q Cl03 O01Y 112.4(3) . . ?
O026 Cl03 O01Q 105.1(6) . . ?
O026 Cl03 O01Y 105.9(6) . . ?
O2 Cl03 O01Q 113.0(4) . . ?
O2 Cl03 O01Y 112.3(5) . . ?
O2 Cl03 O026 107.4(7) . . ?
O00O Cl04 O017 109.3(3) . . ?
O00O Cl04 O01J 111.2(4) . . ?
O00O Cl04 O1 109.5(4) . . ?
O01J Cl04 O017 110.0(4) . . ?
O01J Cl04 O1 108.3(4) . . ?
O1 Cl04 O017 108.5(4) . . ?
C00K O005 Zn01 128.5(2) . . ?
C00I O006 Zn02 129.5(2) . . ?
C00X O007 Zn01 128.5(2) . . ?
C00S O008 Zn02 130.1(2) . . ?
C00V N009 Zn01 127.0(3) . . ?
C00V N009 C00Z 116.6(3) . . ?
C00Z N009 Zn01 115.3(3) . . ?
C00N N00A Zn01 116.0(3) . . ?
C00N N00A C01B 119.1(4) . . ?
C01B N00A Zn01 124.9(3) . . ?
C00R N00B Zn01 127.4(3) . . ?
C00R N00B C01I 116.4(3) . . ?
C01I N00B Zn01 115.7(2) . . ?
C010 N00C Zn02 128.2(3) . . ?
C010 N00C C01F 116.0(3) . . ?
C01F N00C Zn02 115.8(3) . . ?
C00P N00D Zn02 115.3(3) . . ?
C01R N00D Zn02 126.2(3) . . ?
C01R N00D C00P 118.5(4) . . ?
C01C N00E Zn01 114.1(3) . . ?
C022 N00E Zn01 126.3(3) . . ?
C022 N00E C01C 118.9(4) . . ?
C01H N00F Zn02 115.8(3) . . ?
C01N N00F Zn02 125.2(3) . . ?
C01N N00F C01H 118.2(4) . . ?
C00I C00G C019 124.8(3) . . ?
C00Q C00G C00I 118.9(4) . . ?
C00Q C00G C019 116.3(3) . . ?
C019 N00H Zn02 129.3(3) . . ?
C019 N00H C01T 115.3(3) . . ?
C01T N00H Zn02 115.0(2) . . ?
O006 C00I C00G 121.7(3) . . ?
O006 C00I C00J 119.7(3) . . ?
C00J C00I C00G 118.6(3) . . ?
C00M C00J C00I 121.3(4) . . ?
O005 C00K C00L 120.1(3) . . ?
O005 C00K C00W 121.9(3) . . ?
C00L C00K C00W 117.9(3) . . ?
C012 C00L C00K 121.4(4) . . ?
C015 C00M C00J 120.4(4) . . ?
N00A C00N C00Z 117.9(3) . . ?
N00A C00N C011 121.4(4) . . ?
C011 C00N C00Z 120.8(4) . . ?
N00D C00P C01D 121.9(4) . . ?
N00D C00P C01F 118.0(4) . . ?
C01D C00P C01F 120.2(4) . . ?
C015 C00Q C00G 121.7(4) . . ?
N00B C00R C00W 126.7(3) . . ?
O008 C00S C00U 122.4(4) . . ?
O008 C00S C013 119.2(4) . . ?
C013 C00S C00U 118.3(4) . . ?
C00X C00T C00V 124.9(4) . . ?
C014 C00T C00V 117.3(4) . . ?
C014 C00T C00X 117.7(4) . . ?
C00S C00U C010 124.2(4) . . ?
C018 C00U C00S 118.7(4) . . ?
C018 C00U C010 117.0(4) . . ?
N009 C00V C00T 127.0(4) . . ?
C00K C00W C00R 124.5(3) . . ?
C00K C00W C01L 119.0(4) . . ?
C01L C00W C00R 116.4(4) . . ?
O007 C00X C00T 120.4(3) . . ?
O007 C00X C016 119.9(3) . . ?
C016 C00X C00T 119.7(4) . . ?
C01B C00Y C01A 117.9(4) . . ?
N009 C00Z C00N 111.7(3) . . ?
N00C C010 C00U 127.2(4) . . ?
C01A C011 C00N 118.6(4) . . ?
C00L C012 C01M 120.4(4) . . ?
C01G C013 C00S 121.5(4) . . ?
C01O C014 C00T 122.0(4) . . ?
C00Q C015 C00M 119.1(4) . . ?
C00X C016 C01U 120.9(4) . . ?
C01X C018 C00U 121.7(4) . . ?
N00H C019 C00G 126.3(3) . . ?
C011 C01A C00Y 119.9(4) . . ?
N00A C01B C00Y 123.1(4) . . ?
N00E C01C C01I 118.3(3) . . ?
N00E C01C C021 121.6(4) . . ?
C021 C01C C01I 120.1(4) . . ?
C01S C01D C00P 119.1(4) . . ?
N00C C01F C00P 112.3(3) . . ?
C013 C01G C01X 120.4(5) . . ?
N00F C01H C01P 122.6(4) . . ?
N00F C01H C01T 116.9(3) . . ?
C01P C01H C01T 120.5(4) . . ?
N00B C01I C01C 111.9(3) . . ?
C01S C01K C01R 118.7(5) . . ?
C01M C01L C00W 121.8(4) . . ?
C01L C01M C012 119.4(4) . . ?
N00F C01N C01Z 122.4(4) . . ?
C01U C01O C014 119.6(4) . . ?
C020 C01P C01H 118.7(4) . . ?
N00D C01R C01K 122.6(4) . . ?
C01K C01S C01D 119.2(4) . . ?
N00H C01T C01H 111.7(3) . . ?
C01O C01U C016 120.0(4) . . ?
C018 C01X C01G 119.3(4) . . ?
C01N C01Z C020 119.3(5) . . ?
C01P C020 C01Z 118.7(4) . . ?
C025 C021 C01C 118.3(5) . . ?
N00E C022 C024 123.1(5) . . ?
C025 C024 C022 117.3(5) . . ?
C021 C025 C024 120.8(5) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
