# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_zn_ag_dmen1_auto
_database_code_depnum_ccdc_archive 'CCDC 2254457'
loop_
_audit_author_name
_audit_author_address
'Teodora Mocanu'
;Ilie Murgulescu Institute of Physical Chemistry, Romanian Academy
Romania
;
_audit_update_record             
;
2023-04-06 deposited with the CCDC.	2023-07-21 downloaded from the CCDC.
;
_audit_creation_date             2023-03-27
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C19 H28 Ag N6 O2 Zn2, Cl O4'
_chemical_formula_sum            'C19 H28 Ag Cl N6 O6 Zn2'
_chemical_formula_weight         710.53
_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'
Ag Ag -0.8971 1.1015 '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           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   15.9935(8)
_cell_length_b                   15.8675(8)
_cell_length_c                   10.9844(5)
_cell_angle_alpha                90
_cell_angle_beta                 104.756(5)
_cell_angle_gamma                90
_cell_volume                     2695.6(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8644
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.9020
_cell_measurement_theta_min      2.3910
_shelx_estimated_absorpt_T_max   0.649
_shelx_estimated_absorpt_T_min   0.487
_exptl_absorpt_coefficient_mu    2.627
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.30761
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.73a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.751
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1424
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0457
_diffrn_reflns_av_unetI/netI     0.0468
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            15664
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         2.307
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.987
_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  28.00   0.50   12.00    --   -4.82 -99.00 -30.00   76
  2  ω    -14.00  58.00   0.50   12.00    --   -4.82  37.00  60.00  144
  3  ω    -12.00  63.00   0.50   12.00    --    5.36  77.00 120.00  150
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'XtaLAB Synergy, Single source at offset/far, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0415826000
_diffrn_orient_matrix_UB_12      0.0082367000
_diffrn_orient_matrix_UB_13      0.0398862000
_diffrn_orient_matrix_UB_21      0.0095495000
_diffrn_orient_matrix_UB_22      -0.0437134000
_diffrn_orient_matrix_UB_23      0.0020544000
_diffrn_orient_matrix_UB_31      0.0167953000
_diffrn_orient_matrix_UB_32      0.0044616000
_diffrn_orient_matrix_UB_33      -0.0535184000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4216
_reflns_number_total             5229
_reflns_odcompleteness_completeness 98.53
_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 1.171.42.73a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.73a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.73a (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.699
_refine_diff_density_min         -0.615
_refine_diff_density_rms         0.111
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     358
_refine_ls_number_reflns         5229
_refine_ls_number_restraints     13
_refine_ls_R_factor_all          0.0489
_refine_ls_R_factor_gt           0.0392
_refine_ls_restrained_S_all      1.082
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0682P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1105
_refine_ls_wR_factor_ref         0.1163
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 H2-O2
 0.98 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C16B \\sim C16A: within 1.7A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 1.7A
C15B \\sim C15A: within 1.7A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 1.7A
4. Others
 Sof(H13C)=Sof(H13D)=Sof(C14B)=Sof(H14C)=Sof(H14D)=Sof(C15B)=Sof(H15D)=
 Sof(H15E)=Sof(H15F)=Sof(C16B)=Sof(H16D)=Sof(H16E)=Sof(H16F)=1-FVAR(1)
 Sof(H13A)=Sof(H13B)=Sof(C14A)=Sof(H14A)=Sof(H14B)=Sof(C15A)=Sof(H15A)=
 Sof(H15B)=Sof(H15C)=Sof(C16A)=Sof(H16A)=Sof(H16B)=Sof(H16C)=FVAR(1)
5.a Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C8(H8A,H8B), C13(H13A,H13B), C13(H13C,H13D), C14A(H14A,H14B),
 C14B(H14C,H14D)
5.b Aromatic/amide H refined with riding coordinates:
 C7(H7), C12(H12), C3(H3), C5(H5)
5.c Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C15A(H15A,H15B,
 H15C), C16A(H16A,H16B,H16C), C15B(H15D,H15E,H15F), C16B(H16D,H16E,H16F)
;
_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
Ag1 Ag 0.000000 0.500000 0.500000 0.07531(19) Uani 1 2 d S . P . .
Ag2 Ag 0.500000 0.500000 0.000000 0.0896(2) Uani 1 2 d S . P . .
Zn1 Zn 0.21018(2) 0.46600(3) 0.22503(3) 0.03846(13) Uani 1 1 d . . . . .
Zn2 Zn 0.33895(2) 0.60927(2) 0.31971(3) 0.03870(13) Uani 1 1 d . . . . .
Cl1 Cl 0.25786(10) 0.46141(9) 0.69984(12) 0.0828(4) Uani 1 1 d . . . . .
O2 O 0.31280(16) 0.49562(16) 0.3648(2) 0.0453(6) Uani 1 1 d D . . . .
O1 O 0.22074(16) 0.58959(16) 0.1857(2) 0.0527(6) Uani 1 1 d . . . . .
N4 N 0.29299(19) 0.7322(2) 0.3109(3) 0.0478(7) Uani 1 1 d . . . . .
N1 N 0.1475(2) 0.45768(19) 0.0318(3) 0.0469(7) Uani 1 1 d . . . . .
N2 N 0.23810(19) 0.33857(19) 0.1919(3) 0.0468(7) Uani 1 1 d . . . . .
N5 N 0.4329(2) 0.6604(2) 0.4812(3) 0.0564(8) Uani 1 1 d . . . . .
N6 N 0.4143(2) 0.5836(2) 0.2017(3) 0.0606(9) Uani 1 1 d . . . . .
N3 N 0.1125(2) 0.4555(3) 0.3095(3) 0.0625(9) Uani 1 1 d . . . . .
C1 C 0.1769(2) 0.6392(2) 0.0983(3) 0.0427(8) Uani 1 1 d . . . . .
C2 C 0.1803(2) 0.7278(2) 0.1128(3) 0.0449(8) Uani 1 1 d . . . . .
C7 C 0.1161(2) 0.5161(2) -0.0439(3) 0.0464(8) Uani 1 1 d . . . . .
H7 H 0.086078 0.500388 -0.124801 0.056 Uiso 1 1 calc R U . . .
C12 C 0.2340(2) 0.7678(2) 0.2251(3) 0.0483(8) Uani 1 1 d . . . . .
H12 H 0.224534 0.824882 0.235602 0.058 Uiso 1 1 calc R U . . .
C3 C 0.1309(2) 0.7797(2) 0.0191(4) 0.0508(9) Uani 1 1 d . . . . .
H3 H 0.132802 0.837677 0.031769 0.061 Uiso 1 1 calc R U . . .
C6 C 0.1228(2) 0.6061(2) -0.0160(3) 0.0435(8) Uani 1 1 d . . . . .
C4 C 0.0793(2) 0.7479(3) -0.0920(4) 0.0522(9) Uani 1 1 d . . . . .
C5 C 0.0770(2) 0.6625(3) -0.1073(3) 0.0502(9) Uani 1 1 d . . . . .
H5 H 0.043284 0.640504 -0.182307 0.060 Uiso 1 1 calc R U . . .
C18 C 0.0696(3) 0.4672(3) 0.3746(4) 0.0652(12) Uani 1 1 d . . . . .
C19 C 0.4458(3) 0.5545(3) 0.1319(4) 0.0693(12) Uani 1 1 d . . . . .
C9 C 0.1613(3) 0.3094(3) 0.0953(4) 0.0561(9) Uani 1 1 d . . . . .
H9A H 0.112665 0.304387 0.132476 0.067 Uiso 1 1 calc R U . . .
H9B H 0.172775 0.254222 0.065255 0.067 Uiso 1 1 calc R U . . .
C8 C 0.1388(3) 0.3702(3) -0.0141(4) 0.0638(11) Uani 1 1 d . . . . .
H8A H 0.177020 0.360971 -0.068665 0.077 Uiso 1 1 calc R U . . .
H8B H 0.079943 0.360279 -0.062660 0.077 Uiso 1 1 calc R U . . .
C13 C 0.3414(3) 0.7847(3) 0.4150(4) 0.0637(11) Uani 1 1 d . . . . .
H13A H 0.302895 0.824830 0.439570 0.076 Uiso 0.705(9) 1 calc R U P A 1
H13B H 0.386198 0.815784 0.389233 0.076 Uiso 0.705(9) 1 calc R U P A 1
H13C H 0.320939 0.775640 0.489895 0.076 Uiso 0.295(9) 1 calc R U P A 2
H13D H 0.334956 0.843939 0.392683 0.076 Uiso 0.295(9) 1 calc R U P A 2
C17 C 0.0273(3) 0.8049(3) -0.1947(4) 0.0705(12) Uani 1 1 d . . . . .
H17A H -0.020638 0.828212 -0.168164 0.106 Uiso 1 1 calc R U . . .
H17B H 0.006075 0.772911 -0.270384 0.106 Uiso 1 1 calc R U . . .
H17C H 0.063467 0.849786 -0.210284 0.106 Uiso 1 1 calc R U . . .
C10 C 0.3163(3) 0.3319(3) 0.1467(5) 0.0829(15) Uani 1 1 d . . . . .
H10A H 0.309881 0.365691 0.072370 0.124 Uiso 1 1 calc R U . . .
H10B H 0.325151 0.274125 0.127129 0.124 Uiso 1 1 calc R U . . .
H10C H 0.365086 0.351434 0.210752 0.124 Uiso 1 1 calc R U . . .
C11 C 0.2475(4) 0.2885(3) 0.3085(4) 0.0817(15) Uani 1 1 d . . . . .
H11A H 0.282977 0.318742 0.378539 0.123 Uiso 1 1 calc R U . . .
H11B H 0.274185 0.235384 0.299678 0.123 Uiso 1 1 calc R U . . .
H11C H 0.191557 0.278823 0.322851 0.123 Uiso 1 1 calc R U . . .
C14A C 0.3824(4) 0.7257(4) 0.5274(5) 0.0574(18) Uani 0.705(9) 1 d . . P A 1
H14A H 0.419862 0.757797 0.594858 0.069 Uiso 0.705(9) 1 calc R U P A 1
H14B H 0.337526 0.699588 0.559533 0.069 Uiso 0.705(9) 1 calc R U P A 1
C15A C 0.5080(6) 0.6954(7) 0.4541(12) 0.088(3) Uani 0.705(9) 1 d . U P A 1
H15A H 0.540279 0.651462 0.426772 0.132 Uiso 0.705(9) 1 calc R U P A 1
H15B H 0.543165 0.721433 0.528517 0.132 Uiso 0.705(9) 1 calc R U P A 1
H15C H 0.491160 0.736791 0.388754 0.132 Uiso 0.705(9) 1 calc R U P A 1
C16A C 0.4583(6) 0.5969(5) 0.5925(6) 0.077(2) Uani 0.705(9) 1 d . U P A 1
H16A H 0.406985 0.571544 0.606304 0.116 Uiso 0.705(9) 1 calc R U P A 1
H16B H 0.488617 0.626124 0.667261 0.116 Uiso 0.705(9) 1 calc R U P A 1
H16C H 0.494894 0.553922 0.572572 0.116 Uiso 0.705(9) 1 calc R U P A 1
C14B C 0.4368(9) 0.7570(9) 0.4378(15) 0.062(4) Uani 0.295(9) 1 d . . P A 2
H14C H 0.474417 0.790494 0.503284 0.074 Uiso 0.295(9) 1 calc R U P A 2
H14D H 0.456414 0.761076 0.361372 0.074 Uiso 0.295(9) 1 calc R U P A 2
C15B C 0.5250(13) 0.6459(18) 0.463(3) 0.099(10) Uani 0.295(9) 1 d . U P A 2
H15D H 0.533287 0.586961 0.450490 0.149 Uiso 0.295(9) 1 calc R U P A 2
H15E H 0.567254 0.664965 0.536466 0.149 Uiso 0.295(9) 1 calc R U P A 2
H15F H 0.531285 0.676923 0.390819 0.149 Uiso 0.295(9) 1 calc R U P A 2
C16B C 0.4194(19) 0.6482(18) 0.5939(19) 0.112(9) Uani 0.295(9) 1 d . U P A 2
H16D H 0.376016 0.686755 0.606192 0.168 Uiso 0.295(9) 1 calc R U P A 2
H16E H 0.472187 0.657459 0.657411 0.168 Uiso 0.295(9) 1 calc R U P A 2
H16F H 0.400091 0.591367 0.599872 0.168 Uiso 0.295(9) 1 calc R U P A 2
O3 O 0.2942(4) 0.4119(4) 0.6221(5) 0.153(2) Uani 1 1 d . . . . .
O6 O 0.1777(4) 0.4297(7) 0.6986(6) 0.197(4) Uani 1 1 d . . . . .
O4 O 0.2505(7) 0.5358(4) 0.6372(8) 0.233(4) Uani 1 1 d . . . . .
O5 O 0.3014(5) 0.4575(7) 0.8205(5) 0.220(4) Uani 1 1 d . . . . .
H2 H 0.303(3) 0.491(3) 0.446(3) 0.080(15) Uiso 1 1 d 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
Ag1 C18 2.047(4) 3_566 ?
Ag1 C18 2.047(4) . ?
Ag2 C19 2.058(4) 3_665 ?
Ag2 C19 2.058(4) . ?
Zn1 Zn2 3.0659(5) . ?
Zn1 O2 1.997(2) . ?
Zn1 O1 2.024(3) . ?
Zn1 N1 2.108(3) . ?
Zn1 N2 2.122(3) . ?
Zn1 N3 2.017(3) . ?
Zn2 O2 1.944(3) . ?
Zn2 O1 2.103(2) . ?
Zn2 N4 2.079(3) . ?
Zn2 N5 2.169(3) . ?
Zn2 N6 2.023(3) . ?
Cl1 O3 1.392(5) . ?
Cl1 O6 1.374(7) . ?
Cl1 O4 1.357(7) . ?
Cl1 O5 1.332(6) . ?
O2 H2 0.942(19) . ?
O1 C1 1.300(4) . ?
N4 C12 1.282(5) . ?
N4 C13 1.466(5) . ?
N1 C7 1.261(5) . ?
N1 C8 1.471(5) . ?
N2 C9 1.477(5) . ?
N2 C10 1.462(5) . ?
N2 C11 1.482(5) . ?
N5 C14A 1.481(6) . ?
N5 C15A 1.421(11) . ?
N5 C16A 1.556(8) . ?
N5 C14B 1.611(15) . ?
N5 C15B 1.55(2) . ?
N5 C16B 1.32(2) . ?
N6 C19 1.120(5) . ?
N3 C18 1.125(5) . ?
C1 C2 1.414(5) . ?
C1 C6 1.431(5) . ?
C2 C12 1.457(5) . ?
C2 C3 1.396(5) . ?
C7 H7 0.9300 . ?
C7 C6 1.458(5) . ?
C12 H12 0.9300 . ?
C3 H3 0.9300 . ?
C3 C4 1.383(5) . ?
C6 C5 1.403(5) . ?
C4 C5 1.364(6) . ?
C4 C17 1.518(5) . ?
C5 H5 0.9300 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C8 1.511(6) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 H13C 0.9700 . ?
C13 H13D 0.9700 . ?
C13 C14A 1.555(7) . ?
C13 C14B 1.546(15) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C14A H14A 0.9700 . ?
C14A H14B 0.9700 . ?
C15A H15A 0.9600 . ?
C15A H15B 0.9600 . ?
C15A H15C 0.9600 . ?
C16A H16A 0.9600 . ?
C16A H16B 0.9600 . ?
C16A H16C 0.9600 . ?
C14B H14C 0.9700 . ?
C14B H14D 0.9700 . ?
C15B H15D 0.9600 . ?
C15B H15E 0.9600 . ?
C15B H15F 0.9600 . ?
C16B H16D 0.9600 . ?
C16B H16E 0.9600 . ?
C16B H16F 0.9600 . ?

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
C18 Ag1 C18 180.0 3_566 . ?
C19 Ag2 C19 180.0 3_665 . ?
O2 Zn1 Zn2 38.31(7) . . ?
O2 Zn1 O1 80.76(9) . . ?
O2 Zn1 N1 151.16(11) . . ?
O2 Zn1 N2 100.86(11) . . ?
O2 Zn1 N3 104.29(12) . . ?
O1 Zn1 Zn2 43.01(6) . . ?
O1 Zn1 N1 83.68(11) . . ?
O1 Zn1 N2 148.62(12) . . ?
N1 Zn1 Zn2 119.61(9) . . ?
N1 Zn1 N2 80.48(11) . . ?
N2 Zn1 Zn2 127.75(8) . . ?
N3 Zn1 Zn2 115.94(10) . . ?
N3 Zn1 O1 107.16(14) . . ?
N3 Zn1 N1 103.44(13) . . ?
N3 Zn1 N2 102.79(14) . . ?
O2 Zn2 Zn1 39.56(7) . . ?
O2 Zn2 O1 80.06(10) . . ?
O2 Zn2 N4 141.84(12) . . ?
O2 Zn2 N5 106.72(12) . . ?
O2 Zn2 N6 100.30(13) . . ?
O1 Zn2 Zn1 41.05(7) . . ?
O1 Zn2 N5 160.08(11) . . ?
N4 Zn2 Zn1 118.77(8) . . ?
N4 Zn2 O1 82.11(10) . . ?
N4 Zn2 N5 81.37(12) . . ?
N5 Zn2 Zn1 145.12(10) . . ?
N6 Zn2 Zn1 95.27(11) . . ?
N6 Zn2 O1 95.59(13) . . ?
N6 Zn2 N4 114.85(14) . . ?
N6 Zn2 N5 101.40(14) . . ?
O6 Cl1 O3 108.8(5) . . ?
O4 Cl1 O3 100.1(4) . . ?
O4 Cl1 O6 110.7(6) . . ?
O5 Cl1 O3 113.0(5) . . ?
O5 Cl1 O6 104.0(4) . . ?
O5 Cl1 O4 120.0(6) . . ?
Zn1 O2 H2 114(3) . . ?
Zn2 O2 Zn1 102.13(10) . . ?
Zn2 O2 H2 115(3) . . ?
Zn1 O1 Zn2 95.93(10) . . ?
C1 O1 Zn1 133.3(2) . . ?
C1 O1 Zn2 130.3(2) . . ?
C12 N4 Zn2 129.2(2) . . ?
C12 N4 C13 117.8(3) . . ?
C13 N4 Zn2 112.8(2) . . ?
C7 N1 Zn1 128.7(3) . . ?
C7 N1 C8 118.7(3) . . ?
C8 N1 Zn1 112.5(2) . . ?
C9 N2 Zn1 104.4(2) . . ?
C9 N2 C11 109.6(3) . . ?
C10 N2 Zn1 111.3(3) . . ?
C10 N2 C9 111.1(3) . . ?
C10 N2 C11 110.3(4) . . ?
C11 N2 Zn1 110.0(3) . . ?
C14A N5 Zn2 102.6(3) . . ?
C14A N5 C16A 103.9(5) . . ?
C15A N5 Zn2 114.9(5) . . ?
C15A N5 C14A 111.2(5) . . ?
C15A N5 C16A 110.6(6) . . ?
C16A N5 Zn2 112.8(3) . . ?
C14B N5 Zn2 100.6(5) . . ?
C15B N5 Zn2 108.7(9) . . ?
C15B N5 C14B 89.6(13) . . ?
C16B N5 Zn2 117.7(11) . . ?
C16B N5 C14B 116.4(13) . . ?
C16B N5 C15B 119.0(17) . . ?
C19 N6 Zn2 165.4(4) . . ?
C18 N3 Zn1 161.4(4) . . ?
O1 C1 C2 121.3(3) . . ?
O1 C1 C6 121.2(3) . . ?
C2 C1 C6 117.5(3) . . ?
C1 C2 C12 121.8(3) . . ?
C3 C2 C1 120.3(3) . . ?
C3 C2 C12 117.9(3) . . ?
N1 C7 H7 117.1 . . ?
N1 C7 C6 125.8(3) . . ?
C6 C7 H7 117.1 . . ?
N4 C12 C2 126.5(3) . . ?
N4 C12 H12 116.7 . . ?
C2 C12 H12 116.7 . . ?
C2 C3 H3 118.9 . . ?
C4 C3 C2 122.3(4) . . ?
C4 C3 H3 118.9 . . ?
C1 C6 C7 122.6(3) . . ?
C5 C6 C1 118.8(3) . . ?
C5 C6 C7 118.5(3) . . ?
C3 C4 C17 121.9(4) . . ?
C5 C4 C3 117.5(3) . . ?
C5 C4 C17 120.6(4) . . ?
C6 C5 H5 118.2 . . ?
C4 C5 C6 123.6(3) . . ?
C4 C5 H5 118.2 . . ?
N3 C18 Ag1 173.6(4) . . ?
N6 C19 Ag2 178.2(5) . . ?
N2 C9 H9A 109.5 . . ?
N2 C9 H9B 109.5 . . ?
N2 C9 C8 110.9(3) . . ?
H9A C9 H9B 108.0 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
N1 C8 C9 110.3(3) . . ?
N1 C8 H8A 109.6 . . ?
N1 C8 H8B 109.6 . . ?
C9 C8 H8A 109.6 . . ?
C9 C8 H8B 109.6 . . ?
H8A C8 H8B 108.1 . . ?
N4 C13 H13A 110.1 . . ?
N4 C13 H13B 110.1 . . ?
N4 C13 H13C 110.6 . . ?
N4 C13 H13D 110.6 . . ?
N4 C13 C14A 108.0(4) . . ?
N4 C13 C14B 105.5(6) . . ?
H13A C13 H13B 108.4 . . ?
H13C C13 H13D 108.8 . . ?
C14A C13 H13A 110.1 . . ?
C14A C13 H13B 110.1 . . ?
C14B C13 H13C 110.6 . . ?
C14B C13 H13D 110.6 . . ?
C4 C17 H17A 109.5 . . ?
C4 C17 H17B 109.5 . . ?
C4 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N2 C10 H10A 109.5 . . ?
N2 C10 H10B 109.5 . . ?
N2 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N2 C11 H11A 109.5 . . ?
N2 C11 H11B 109.5 . . ?
N2 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N5 C14A C13 107.8(4) . . ?
N5 C14A H14A 110.1 . . ?
N5 C14A H14B 110.1 . . ?
C13 C14A H14A 110.1 . . ?
C13 C14A H14B 110.1 . . ?
H14A C14A H14B 108.5 . . ?
N5 C15A H15A 109.5 . . ?
N5 C15A H15B 109.5 . . ?
N5 C15A H15C 109.5 . . ?
H15A C15A H15B 109.5 . . ?
H15A C15A H15C 109.5 . . ?
H15B C15A H15C 109.5 . . ?
N5 C16A H16A 109.5 . . ?
N5 C16A H16B 109.5 . . ?
N5 C16A H16C 109.5 . . ?
H16A C16A H16B 109.5 . . ?
H16A C16A H16C 109.5 . . ?
H16B C16A H16C 109.5 . . ?
N5 C14B H14C 111.4 . . ?
N5 C14B H14D 111.4 . . ?
C13 C14B N5 101.9(8) . . ?
C13 C14B H14C 111.4 . . ?
C13 C14B H14D 111.4 . . ?
H14C C14B H14D 109.2 . . ?
N5 C15B H15D 109.5 . . ?
N5 C15B H15E 109.5 . . ?
N5 C15B H15F 109.5 . . ?
H15D C15B H15E 109.5 . . ?
H15D C15B H15F 109.5 . . ?
H15E C15B H15F 109.5 . . ?
N5 C16B H16D 109.5 . . ?
N5 C16B H16E 109.5 . . ?
N5 C16B H16F 109.5 . . ?
H16D C16B H16E 109.5 . . ?
H16D C16B H16F 109.5 . . ?
H16E C16B H16F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Zn1 O1 C1 C2 160.2(3) . . . . ?
Zn1 O1 C1 C6 -19.3(5) . . . . ?
Zn1 N1 C7 C6 5.5(6) . . . . ?
Zn1 N1 C8 C9 11.2(5) . . . . ?
Zn1 N2 C9 C8 50.2(4) . . . . ?
Zn2 O1 C1 C2 -29.8(5) . . . . ?
Zn2 O1 C1 C6 150.7(3) . . . . ?
Zn2 N4 C12 C2 3.6(6) . . . . ?
Zn2 N4 C13 C14A -25.0(4) . . . . ?
Zn2 N4 C13 C14B 37.9(7) . . . . ?
Zn2 N5 C14A C13 -53.3(4) . . . . ?
Zn2 N5 C14B C13 57.7(8) . . . . ?
O1 C1 C2 C12 1.0(5) . . . . ?
O1 C1 C2 C3 -178.3(3) . . . . ?
O1 C1 C6 C7 -2.7(5) . . . . ?
O1 C1 C6 C5 -179.9(3) . . . . ?
N4 C13 C14A N5 53.9(5) . . . . ?
N4 C13 C14B N5 -63.7(8) . . . . ?
N1 C7 C6 C1 8.9(6) . . . . ?
N1 C7 C6 C5 -173.9(4) . . . . ?
N2 C9 C8 N1 -41.7(5) . . . . ?
C1 C2 C12 N4 12.2(6) . . . . ?
C1 C2 C3 C4 -2.0(6) . . . . ?
C1 C6 C5 C4 -1.8(6) . . . . ?
C2 C1 C6 C7 177.8(3) . . . . ?
C2 C1 C6 C5 0.6(5) . . . . ?
C2 C3 C4 C5 0.8(6) . . . . ?
C2 C3 C4 C17 -178.7(4) . . . . ?
C7 N1 C8 C9 -166.9(4) . . . . ?
C7 C6 C5 C4 -179.2(4) . . . . ?
C12 N4 C13 C14A 159.3(4) . . . . ?
C12 N4 C13 C14B -137.7(7) . . . . ?
C12 C2 C3 C4 178.6(3) . . . . ?
C3 C2 C12 N4 -168.4(4) . . . . ?
C3 C4 C5 C6 1.1(6) . . . . ?
C6 C1 C2 C12 -179.5(3) . . . . ?
C6 C1 C2 C3 1.2(5) . . . . ?
C8 N1 C7 C6 -176.7(4) . . . . ?
C13 N4 C12 C2 178.4(4) . . . . ?
C17 C4 C5 C6 -179.4(4) . . . . ?
C10 N2 C9 C8 -69.8(5) . . . . ?
C11 N2 C9 C8 168.1(4) . . . . ?
C15A N5 C14A C13 70.0(7) . . . . ?
C16A N5 C14A C13 -171.0(5) . . . . ?
C15B N5 C14B C13 166.7(12) . . . . ?
C16B N5 C14B C13 -70.8(16) . . . . ?

_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
;
_oxdiff_exptl_absorpt_empirical_full_max 2.061
_oxdiff_exptl_absorpt_empirical_full_min 0.373
####################################################################### 
# 
# 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_znaudmenclo4
_database_code_depnum_ccdc_archive 'CCDC 2254458'
loop_
_audit_author_name
_audit_author_address
'Teodora Mocanu'
;Ilie Murgulescu Institute of Physical Chemistry, Romanian Academy
Romania
;
_audit_update_record             
;
2023-04-06 deposited with the CCDC.	2023-07-21 downloaded from the CCDC.
;
_audit_creation_date             2023-04-06
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C20 H28 Au1.5 N7 O2 Zn2), Cl O4, H2 O'
_chemical_formula_sum            'C40 H58 Au3 Cl N14 O9 Zn4'
_chemical_formula_weight         1766.83
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C20 H10 N3 O4 Zn1 Au1'
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'
Au Au -2.0133 8.8022 '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                   53.912(9)
_cell_length_b                   12.3116(3)
_cell_length_c                   31.451(5)
_cell_angle_alpha                90
_cell_angle_beta                 148.11(4)
_cell_angle_gamma                90
_cell_volume                     11028(7)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    11270
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4940
_cell_measurement_theta_min      2.4400
_shelx_estimated_absorpt_T_max   0.696
_shelx_estimated_absorpt_T_min   0.245
_exptl_absorpt_coefficient_mu    9.770
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.916
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.76a (Rigaku Oxford Diffraction, 2022)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.128
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             6736
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 0 1 0.0139
0 0 -1 0.0288
3 -2 -2 0.0542
-3 2 2 0.1102
2 0 -1 0.0285
-2 0 1 0.0177

_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
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
-0.0047 -0.0002 1.0034 -0.0188 -0.0382 0.0036
0.0047 0.0002 -1.0034 0.0188 0.0382 -0.0036
2.9900 -2.0015 -1.9911 0.0083 0.0315 0.1194
-2.9900 2.0015 1.9911 -0.0083 -0.0315 -0.1194
1.9984 -0.0006 -0.9992 -0.0222 0.0121 0.0071
-1.9984 0.0006 0.9992 0.0222 -0.0121 -0.0071

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0464
_diffrn_reflns_av_unetI/netI     0.0455
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       54
_diffrn_reflns_limit_h_min       -66
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            36771
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         2.102
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -78.00 -51.00   0.50   85.00    --   -4.89 -28.00  90.00   54
  2  ω    -17.00  69.00   0.50   85.00    --   -4.89  28.00-108.00  172
  3  ω    -22.00  25.00   0.50   85.00    --   -4.89 -99.00  90.00   94
  4  ω    -26.00   4.00   0.50   85.00    --   -4.89 -28.00  90.00   60
  5  ω    -21.00   4.00   0.50   85.00    --    5.44 -19.00  60.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'XtaLAB Synergy, Single source at offset/far, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0205463000
_diffrn_orient_matrix_UB_12      -0.0161143000
_diffrn_orient_matrix_UB_13      -0.0188263000
_diffrn_orient_matrix_UB_21      -0.0130268000
_diffrn_orient_matrix_UB_22      0.0027301000
_diffrn_orient_matrix_UB_23      -0.0381464000
_diffrn_orient_matrix_UB_31      0.0053548000
_diffrn_orient_matrix_UB_32      -0.0552457000
_diffrn_orient_matrix_UB_33      0.0036017000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8194
_reflns_number_total             10727
_reflns_odcompleteness_completeness 98.60
_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 1.171.42.76a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.76a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.76a (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.826
_refine_diff_density_min         -0.745
_refine_diff_density_rms         0.113
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     679
_refine_ls_number_reflns         10727
_refine_ls_number_restraints     29
_refine_ls_R_factor_all          0.0506
_refine_ls_R_factor_gt           0.0320
_refine_ls_restrained_S_all      1.038
_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)+(0.0277P)²+4.0903P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0642
_refine_ls_wR_factor_ref         0.0692
_refine_special_details          ?
_olex2_refinement_description    
;
1. Others
 Fixed Sof: Au4(0.5) Au2(0.5)
 Fixed U12: Au4(-0) Au2(0)
 Fixed U23: Au4(0) Au2(0)
 Fixed Uiso: H3(0.077) H11(0.071) H17(0.064) H32(0.077) H5(0.078) H12A(0.099)
 H12B(0.099) H23(0.087) H27(0.086) H9A(0.141) H9B(0.141) H9C(0.141) H15A(0.114)
 H15B(0.114) H15C(0.114) H13A(0.1) H13B(0.1) H33A(0.106) H33B(0.106)
 H33C(0.106) H33D(0.106) H7A(0.086) H7B(0.086) H14A(0.148) H14B(0.148)
 H14C(0.148) H29A(0.143) H29B(0.143) H36A(0.107) H36B(0.107) H36C(0.107)
 H30A(0.21) H30B(0.21) H30C(0.21) H31A(0.207) H31B(0.207) H31C(0.207)
 H25(0.102) H28A(0.123) H28B(0.123) H16A(0.166) H16B(0.166) H16C(0.166)
 H60A(0.203) H60B(0.203) H60C(0.203) H8A(0.107) H8B(0.107) H10A(0.174)
 H10B(0.174) H10C(0.174) H35A(0.192) H35B(0.192) H35C(0.192) H34A(0.085)
 H34B(0.085) H34C(0.065) H34D(0.065) H36D(0.107) H36E(0.107) H36F(0.107)
 H9D(0.157) H9E(0.157)
 Fixed X: Au4(0.5) Au2(0.5) H3(0.406471) H11(0.450275) H17(0.473546)
 H32(0.261627) H5(0.388702) H12A(0.500928) H12B(0.538915) H23(0.244746)
 H27(0.274876) H9A(0.626882) H9B(0.635367) H9C(0.585136) H15A(0.647316)
 H15B(0.64966) H15C(0.612204) H13A(0.549557) H13B(0.581216) H33A(0.319889)
 H33B(0.264732) H33C(0.300858) H33D(0.260032) H7A(0.524458) H7B(0.571085)
 H14A(0.64368) H14B(0.602022) H14C(0.641578) H29A(0.339468) H29B(0.369243)
 H36A(0.384492) H36B(0.400631) H36C(0.380027) H30A(0.393876) H30B(0.398731)
 H30C(0.415355) H31A(0.281487) H31B(0.319227) H31C(0.313596) H25(0.254634)
 H28A(0.299639) H28B(0.27049) H16A(0.326041) H16B(0.322187) H16C(0.343517)
 H60A(0.199259) H60B(0.250634) H60C(0.227791) H8A(0.54771) H8B(0.589913)
 H10A(0.662036) H10B(0.636069) H10C(0.663254) H35A(0.32476) H35B(0.274846)
 H35C(0.302166) H34A(0.258657) H34B(0.293062) H34C(0.311523) H34D(0.352369)
 H36D(0.395189) H36E(0.368708) H36F(0.378793)
 Fixed Y: H3(-0.13348) H11(0.308312) H17(-0.215409) H32(0.882549) H5(0.185232)
 H12A(0.447158) H12B(0.401561) H23(0.790753) H27(0.355768) H9A(-0.245638) H9B(-
 0.119866) H9C(-0.165571) H15A(0.376973) H15B(0.256027) H15C(0.290948)
 H13A(0.448807) H13B(0.487576) H33A(0.983922) H33B(0.985171) H33C(0.997707)
 H33D(0.961981) H7A(-0.322852) H7B(-0.278699) H14A(0.427982) H14B(0.388956)
 H14C(0.307106) H29A(0.183268) H29B(0.255183) H36A(0.947627) H36B(0.843028)
 H36C(0.833448) H30A(0.255195) H30B(0.38152) H30C(0.323534) H31A(0.341679)
 H31B(0.381674) H31C(0.257274) H25(0.472605) H28A(0.225534) H28B(0.25539) H16A(-
 0.054409) H16B(0.070343) H16C(-0.007882) H60A(0.605203) H60B(0.599331)
 H60C(0.712303) H8A(-0.274222) H8B(-0.337481) H10A(-0.242501) H10B(-0.177604)
 H10C(-0.115199) H35A(0.771367) H35B(0.794825) H35C(0.88673) H34A(0.906154)
 H34B(1.004833) H34C(1.013515) H34D(0.968609) H36D(0.861113) H36E(0.962159)
 H36F(0.954741)
 Fixed Z: Au4(0.25) Au2(0.25) H3(0.341559) H11(0.396573) H17(0.416607) H32(-
 0.120936) H5(0.320772) H12A(0.450735) H12B(0.537441) H23(-0.209219) H27(-
 0.119355) H9A(0.505039) H9B(0.518604) H9C(0.435738) H15A(0.668655)
 H15B(0.656622) H15C(0.635978) H13A(0.467524) H13B(0.551448) H33A(0.024103)
 H33B(-0.058446) H33C(-0.016892) H33D(-0.045883) H7A(0.459425) H7B(0.547726)
 H14A(0.590717) H14B(0.501313) H14C(0.572103) H29A(0.082215) H29B(0.094404)
 H36A(0.213171) H36B(0.212281) H36C(0.228362) H30A(0.213845) H30B(0.225365)
 H30C(0.207816) H31A(0.039183) H31B(0.126842) H31C(0.109311) H25(-0.205806)
 H28A(-0.040952) H28B(-0.042543) H16A(0.234956) H16B(0.238704) H16C(0.304008)
 H60A(-0.335568) H60B(-0.278533) H60C(-0.301737) H8A(0.427429) H8B(0.509188)
 H10A(0.627687) H10B(0.625759) H10C(0.629522) H35A(0.155048) H35B(0.063507)
 H35C(0.127313) H34A(-0.002836) H34B(0.052241) H34C(0.070754) H34D(0.102298)
 H36D(0.216207) H36E(0.196237) H36F(0.162)
;
_atom_sites_solution_hydrogens   mixed
_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
Au4 Au 0.500000 0.75383(2) 0.250000 0.04291(8) Uani 1 2 d S T P . .
Au2 Au 0.500000 0.25877(2) 0.250000 0.04530(8) Uani 1 2 d S T P . .
Au1 Au 0.44130(2) 0.03817(2) 0.18439(2) 0.04801(7) Uani 1 1 d . . . . .
Au3 Au 0.47668(2) 0.52754(2) 0.16513(2) 0.05394(7) Uani 1 1 d . . . . .
Zn4 Zn 0.33275(2) 0.73005(4) 0.06665(4) 0.04200(15) Uani 1 1 d . . . . .
Zn2 Zn 0.55286(2) 0.20028(4) 0.47986(4) 0.04252(15) Uani 1 1 d . . . . .
Zn1 Zn 0.55763(2) -0.04196(4) 0.47360(4) 0.04300(15) Uani 1 1 d . . . . .
Zn3 Zn 0.33808(2) 0.48600(5) 0.06514(5) 0.05249(17) Uani 1 1 d D . . . .
Cl1 Cl 0.32675(8) 0.40133(16) 0.24761(14) 0.0849(5) Uani 1 1 d . . . . .
O1 O 0.52008(14) 0.0659(3) 0.4574(2) 0.0466(9) Uani 1 1 d . . . . .
O2 O 0.59827(15) 0.0850(3) 0.5316(3) 0.0467(9) Uani 1 1 d . . . . .
O4 O 0.33755(17) 0.5978(3) 0.1084(3) 0.0562(10) Uani 1 1 d D . . . .
O3 O 0.30175(14) 0.6124(3) -0.0174(3) 0.0546(10) Uani 1 1 d . . . . .
N12 N 0.39677(19) 0.4849(4) 0.1143(3) 0.0581(13) Uani 1 1 d . . . . .
N14 N 0.39781(18) 0.7550(3) 0.1373(3) 0.0510(12) Uani 1 1 d . . . . .
N5 N 0.51219(19) -0.0355(3) 0.3570(3) 0.0536(12) Uani 1 1 d . . . . .
N1 N 0.52656(18) -0.1600(3) 0.4658(3) 0.0514(12) Uani 1 1 d . . . . .
C39 C 0.4349(2) 0.7559(4) 0.1786(4) 0.0438(13) Uani 1 1 d . . . . .
N7 N 0.52424(19) 0.2448(3) 0.3817(3) 0.0533(12) Uani 1 1 d . . . . .
N4 N 0.59593(18) 0.3384(3) 0.5534(3) 0.0557(12) Uani 1 1 d . . . . .
C1 C 0.4797(2) 0.0525(4) 0.4162(3) 0.0440(12) Uani 1 1 d . . . . .
N11 N 0.32652(19) 0.8589(4) 0.1047(3) 0.0562(13) Uani 1 1 d D U . . .
C37 C 0.4256(2) 0.4982(4) 0.1325(4) 0.0533(15) Uani 1 1 d . . . . .
N3 N 0.5095(2) 0.2848(4) 0.4582(3) 0.0561(13) Uani 1 1 d . . . . .
N8 N 0.2976(2) 0.3889(4) -0.0329(4) 0.0724(16) Uani 1 1 d . . . . .
N10 N 0.29218(18) 0.8359(4) -0.0273(3) 0.0569(12) Uani 1 1 d . . . . .
N2 N 0.60260(19) -0.1757(4) 0.5220(3) 0.0554(13) Uani 1 1 d . . . . .
N9 N 0.3458(2) 0.3369(4) 0.1108(4) 0.0681(15) Uani 1 1 d . . . . .
C6 C 0.4517(2) 0.1443(5) 0.3879(4) 0.0489(14) Uani 1 1 d . . . . .
C20 C 0.5147(2) 0.2546(4) 0.3331(4) 0.0467(13) Uani 1 1 d . . . . .
C21 C 0.2845(2) 0.6182(5) -0.0806(4) 0.0538(15) Uani 1 1 d . . . . .
C18 C 0.4865(2) -0.0096(4) 0.2944(4) 0.0472(13) Uani 1 1 d . . . . .
C19 C 0.3938(3) 0.0824(5) 0.0725(5) 0.0592(16) Uani 1 1 d . . . . .
C2 C 0.4614(2) -0.0522(4) 0.3982(4) 0.0506(14) Uani 1 1 d . . . . .
N6 N 0.3664(2) 0.1061(5) 0.0083(4) 0.0823(18) Uani 1 1 d . . . . .
C26 C 0.2769(2) 0.5226(6) -0.1163(4) 0.0638(18) Uani 1 1 d . . . . .
C22 C 0.2713(2) 0.7197(5) -0.1175(4) 0.0580(15) Uani 1 1 d . . . . .
C3 C 0.4175(2) -0.0637(5) 0.3524(4) 0.0640(17) Uani 1 1 d . . . . .
H3 H 0.406471 -0.133480 0.341559 0.077 Uiso 1 1 calc R U . . .
C11 C 0.4698(2) 0.2546(5) 0.4140(4) 0.0591(16) Uani 1 1 d . . . . .
H11 H 0.450275 0.308312 0.396573 0.071 Uiso 1 1 calc R U . . .
C17 C 0.4873(2) -0.1511(4) 0.4273(4) 0.0536(15) Uani 1 1 d . . . . .
H17 H 0.473546 -0.215409 0.416607 0.064 Uiso 1 1 calc R U . . .
C4 C 0.3890(2) 0.0234(6) 0.3217(4) 0.0674(18) Uani 1 1 d . . . . .
C38 C 0.5240(3) 0.5573(5) 0.1891(4) 0.0672(18) Uani 1 1 d . . . . .
C32 C 0.2743(2) 0.8215(5) -0.0894(4) 0.0643(17) Uani 1 1 d . . . . .
H32 H 0.261627 0.882549 -0.120936 0.077 Uiso 1 1 calc R U . . .
C5 C 0.4071(2) 0.1254(6) 0.3405(4) 0.0649(18) Uani 1 1 d . . . . .
H5 H 0.388702 0.185232 0.320772 0.078 Uiso 1 1 calc R U . . .
C12 C 0.5268(3) 0.3964(5) 0.4911(5) 0.083(2) Uani 1 1 d . . . . .
H12A H 0.500928 0.447158 0.450735 0.099 Uiso 1 1 calc R U . . .
H12B H 0.538915 0.401561 0.537441 0.099 Uiso 1 1 calc R U . . .
C23 C 0.2536(2) 0.7240(7) -0.1851(4) 0.0724(19) Uani 1 1 d . . . . .
H23 H 0.244746 0.790753 -0.209219 0.087 Uiso 1 1 calc R U . . .
C27 C 0.2829(2) 0.4133(6) -0.0899(5) 0.072(2) Uani 1 1 d . . . . .
H27 H 0.274876 0.355768 -0.119355 0.086 Uiso 1 1 calc R U . . .
C9 C 0.6134(3) -0.1768(6) 0.4929(5) 0.094(3) Uani 1 1 d . . . . .
H9A H 0.626882 -0.245638 0.505039 0.141 Uiso 1 1 calc R U . . .
H9B H 0.635367 -0.119866 0.518604 0.141 Uiso 1 1 calc R U . . .
H9C H 0.585136 -0.165571 0.435738 0.141 Uiso 1 1 calc R U . . .
C15 C 0.6291(3) 0.3134(5) 0.6357(4) 0.076(2) Uani 1 1 d . . . . .
H15A H 0.647316 0.376973 0.668655 0.114 Uiso 1 1 calc R U . . .
H15B H 0.649660 0.256027 0.656622 0.114 Uiso 1 1 calc R U . . .
H15C H 0.612204 0.290948 0.635978 0.114 Uiso 1 1 calc R U . . .
N13 N 0.5493(3) 0.5756(6) 0.1996(5) 0.099(2) Uani 1 1 d . . . . .
C13 C 0.5638(3) 0.4262(5) 0.5149(5) 0.084(2) Uani 1 1 d . . . . .
H13A H 0.549557 0.448807 0.467524 0.100 Uiso 1 1 calc R U . . .
H13B H 0.581216 0.487576 0.551448 0.100 Uiso 1 1 calc R U . . .
C33 C 0.2917(3) 0.9447(5) -0.0090(5) 0.088(2) Uani 1 1 d D . . . .
H33A H 0.319889 0.983922 0.024103 0.106 Uiso 0.720(18) 1 calc R U P A 1
H33B H 0.264732 0.985171 -0.058446 0.106 Uiso 0.720(18) 1 calc R U P A 1
H33C H 0.300858 0.997707 -0.016892 0.106 Uiso 0.280(18) 1 calc R U P A 2
H33D H 0.260032 0.961981 -0.045883 0.106 Uiso 0.280(18) 1 calc R U P A 2
C7 C 0.5482(3) -0.2666(4) 0.4921(5) 0.0715(18) Uani 1 1 d . . . . .
H7A H 0.524458 -0.322852 0.459425 0.086 Uiso 1 1 calc R U . . .
H7B H 0.571085 -0.278699 0.547726 0.086 Uiso 1 1 calc R U . . .
C14 C 0.6232(3) 0.3683(6) 0.5545(5) 0.099(3) Uani 1 1 d . . . . .
H14A H 0.643680 0.427982 0.590717 0.148 Uiso 1 1 calc R U . . .
H14B H 0.602022 0.388956 0.501313 0.148 Uiso 1 1 calc R U . . .
H14C H 0.641578 0.307106 0.572103 0.148 Uiso 1 1 calc R U . . .
C29 C 0.3415(4) 0.2542(5) 0.0718(7) 0.119(4) Uani 1 1 d . . . . .
H29A H 0.339468 0.183268 0.082215 0.143 Uiso 1 1 calc R U . . .
H29B H 0.369243 0.255183 0.094404 0.143 Uiso 1 1 calc R U . . .
O6 O 0.3102(6) 0.4437(9) 0.2591(12) 0.316(8) Uani 1 1 d . . . . .
C36B C 0.3781(14) 0.872(3) 0.199(2) 0.071(4) Uani 0.280(18) 1 d . U P A 2
H36A H 0.384492 0.947627 0.213171 0.107 Uiso 0.280(18) 1 calc R U P A 2
H36B H 0.400631 0.843028 0.212281 0.107 Uiso 0.280(18) 1 calc R U P A 2
H36C H 0.380027 0.833448 0.228362 0.107 Uiso 0.280(18) 1 calc R U P A 2
C30 C 0.3924(3) 0.3231(7) 0.1968(6) 0.140(4) Uani 1 1 d . . . . .
H30A H 0.393876 0.255195 0.213845 0.210 Uiso 1 1 calc R U . . .
H30B H 0.398731 0.381520 0.225365 0.210 Uiso 1 1 calc R U . . .
H30C H 0.415355 0.323534 0.207816 0.210 Uiso 1 1 calc R U . . .
C31 C 0.3123(4) 0.3287(7) 0.0953(8) 0.138(4) Uani 1 1 d . . . . .
H31A H 0.281487 0.341679 0.039183 0.207 Uiso 1 1 calc R U . . .
H31B H 0.319227 0.381674 0.126842 0.207 Uiso 1 1 calc R U . . .
H31C H 0.313596 0.257274 0.109311 0.207 Uiso 1 1 calc R U . . .
O9 O 0.4008(5) 0.6333(7) 0.3018(9) 0.180(4) Uani 1 1 d D . . . .
O7 O 0.3721(3) 0.3987(6) 0.3139(5) 0.223(6) Uani 1 1 d . . . . .
C25 C 0.2594(3) 0.5352(8) -0.1828(5) 0.085(2) Uani 1 1 d . . . . .
H25 H 0.254634 0.472605 -0.205806 0.102 Uiso 1 1 calc R U . . .
C28 C 0.2986(3) 0.2725(5) -0.0177(5) 0.102(3) Uani 1 1 d . . . . .
H28A H 0.299639 0.225534 -0.040952 0.123 Uiso 1 1 calc R U . . .
H28B H 0.270490 0.255390 -0.042543 0.123 Uiso 1 1 calc R U . . .
C24 C 0.2489(3) 0.6319(8) -0.2166(5) 0.084(2) Uani 1 1 d . . . . .
C16 C 0.3408(3) 0.0063(7) 0.2702(6) 0.111(3) Uani 1 1 d . . . . .
H16A H 0.326041 -0.054409 0.234956 0.166 Uiso 1 1 calc R U . . .
H16B H 0.322187 0.070343 0.238704 0.166 Uiso 1 1 calc R U . . .
H16C H 0.343517 -0.007882 0.304008 0.166 Uiso 1 1 calc R U . . .
C60 C 0.2299(3) 0.6377(11) -0.2900(6) 0.135(4) Uani 1 1 d . . . . .
H60A H 0.199259 0.605203 -0.335568 0.203 Uiso 1 1 calc R U . . .
H60B H 0.250634 0.599331 -0.278533 0.203 Uiso 1 1 calc R U . . .
H60C H 0.227791 0.712303 -0.301737 0.203 Uiso 1 1 calc R U . . .
C8 C 0.5714(3) -0.2715(5) 0.4841(6) 0.089(2) Uani 1 1 d . . . . .
H8A H 0.547710 -0.274222 0.427429 0.107 Uiso 1 1 calc R U . . .
H8B H 0.589913 -0.337481 0.509188 0.107 Uiso 1 1 calc R U . . .
C10 C 0.6445(3) -0.1779(7) 0.6084(5) 0.116(3) Uani 1 1 d . . . . .
H10A H 0.662036 -0.242501 0.627687 0.174 Uiso 1 1 calc R U . . .
H10B H 0.636069 -0.177604 0.625759 0.174 Uiso 1 1 calc R U . . .
H10C H 0.663254 -0.115199 0.629522 0.174 Uiso 1 1 calc R U . . .
O5 O 0.3139(5) 0.4804(10) 0.2043(7) 0.282(8) Uani 1 1 d . . . . .
O8 O 0.3076(3) 0.3031(6) 0.2112(6) 0.213(5) Uani 1 1 d . . . . .
C35 C 0.3053(4) 0.8251(7) 0.1134(7) 0.128(4) Uani 1 1 d . . . . .
H35A H 0.324760 0.771367 0.155048 0.192 Uiso 1 1 calc R U . . .
H35B H 0.274846 0.794825 0.063507 0.192 Uiso 1 1 calc R U . . .
H35C H 0.302166 0.886730 0.127313 0.192 Uiso 1 1 calc R U . . .
C34A C 0.2893(5) 0.9338(7) 0.0338(8) 0.070(4) Uani 0.720(18) 1 d D U P A 1
H34A H 0.258657 0.906154 -0.002836 0.085 Uiso 0.720(18) 1 calc R U P A 1
H34B H 0.293062 1.004833 0.052241 0.085 Uiso 0.720(18) 1 calc R U P A 1
C34B C 0.3214(11) 0.9517(15) 0.0682(16) 0.054(7) Uani 0.280(18) 1 d D U P A 2
H34C H 0.311523 1.013515 0.070754 0.065 Uiso 0.280(18) 1 calc R U P A 2
H34D H 0.352369 0.968609 0.102298 0.065 Uiso 0.280(18) 1 calc R U P A 2
C36A C 0.3711(5) 0.9139(12) 0.1758(8) 0.071(4) Uani 0.720(18) 1 d D U P A 1
H36D H 0.395189 0.861113 0.216207 0.107 Uiso 0.720(18) 1 calc R U P A 1
H36E H 0.368708 0.962159 0.196237 0.107 Uiso 0.720(18) 1 calc R U P A 1
H36F H 0.378793 0.954741 0.162000 0.107 Uiso 0.720(18) 1 calc R U P A 1
H2 H 0.608(2) 0.097(5) 0.525(4) 0.07(2) Uiso 1 1 d . . . . .
H4 H 0.3658(9) 0.601(5) 0.1616(6) 0.10(3) Uiso 1 1 d D . . . .
H9D H 0.381(3) 0.614(9) 0.252(3) 0.157 Uiso 1 1 d D U . . .
H9E H 0.413(4) 0.568(5) 0.326(6) 0.157 Uiso 1 1 d D U . . .


_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
Au4 Au3 3.2813(5) 2_655 ?
Au4 Au3 3.2814(6) . ?
Au4 C39 1.996(6) . ?
Au4 C39 1.996(6) 2_655 ?
Au2 Au1 3.2496(9) 2_655 ?
Au2 Au1 3.2497(9) . ?
Au2 C20 1.986(6) 2_655 ?
Au2 C20 1.986(6) . ?
Au1 C18 1.983(7) . ?
Au1 C19 1.984(8) . ?
Au3 C37 1.990(7) . ?
Au3 C38 1.984(7) . ?
Zn4 Zn3 3.0225(8) . ?
Zn4 O4 1.965(4) . ?
Zn4 O3 2.092(4) . ?
Zn4 N14 2.025(5) . ?
Zn4 N11 2.178(4) . ?
Zn4 N10 2.059(5) . ?
Zn2 Zn1 3.0141(8) . ?
Zn2 O1 2.059(3) . ?
Zn2 O2 1.972(4) . ?
Zn2 N7 2.031(5) . ?
Zn2 N4 2.124(5) . ?
Zn2 N3 2.075(5) . ?
Zn1 O1 2.090(3) . ?
Zn1 O2 1.946(4) . ?
Zn1 N5 2.049(6) . ?
Zn1 N1 2.068(4) . ?
Zn1 N2 2.154(4) . ?
Zn3 O4 1.952(4) . ?
Zn3 O3 2.088(4) . ?
Zn3 N12 2.024(5) . ?
Zn3 N8 2.066(6) . ?
Zn3 N9 2.143(5) . ?
Cl1 O6 1.319(10) . ?
Cl1 O7 1.292(8) . ?
Cl1 O5 1.296(11) . ?
Cl1 O8 1.354(7) . ?
O1 C1 1.285(6) . ?
O2 H2 0.74(6) . ?
O4 H4 0.890(2) . ?
O3 C21 1.300(7) . ?
N12 C37 1.124(7) . ?
N14 C39 1.127(7) . ?
N5 C18 1.127(7) . ?
N1 C17 1.268(7) . ?
N1 C7 1.460(7) . ?
N7 C20 1.132(7) . ?
N4 C15 1.461(8) . ?
N4 C13 1.440(8) . ?
N4 C14 1.488(8) . ?
C1 C6 1.439(7) . ?
C1 C2 1.416(7) . ?
N11 C36B 1.60(4) . ?
N11 C35 1.444(8) . ?
N11 C34A 1.500(12) . ?
N11 C34B 1.47(2) . ?
N11 C36A 1.452(12) . ?
N3 C11 1.266(8) . ?
N3 C12 1.480(8) . ?
N8 C27 1.235(9) . ?
N8 C28 1.496(9) . ?
N10 C32 1.256(8) . ?
N10 C33 1.468(8) . ?
N2 C9 1.443(7) . ?
N2 C8 1.494(9) . ?
N2 C10 1.437(10) . ?
N9 C29 1.451(10) . ?
N9 C30 1.454(11) . ?
N9 C31 1.418(9) . ?
C6 C11 1.453(8) . ?
C6 C5 1.405(8) . ?
C21 C26 1.423(8) . ?
C21 C22 1.417(9) . ?
C19 N6 1.130(8) . ?
C2 C3 1.382(8) . ?
C2 C17 1.448(8) . ?
C26 C27 1.466(10) . ?
C26 C25 1.396(11) . ?
C22 C32 1.460(9) . ?
C22 C23 1.412(9) . ?
C3 H3 0.9300 . ?
C3 C4 1.386(9) . ?
C11 H11 0.9300 . ?
C17 H17 0.9300 . ?
C4 C5 1.377(9) . ?
C4 C16 1.508(9) . ?
C38 N13 1.123(8) . ?
C32 H32 0.9300 . ?
C5 H5 0.9300 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 C13 1.463(9) . ?
C23 H23 0.9300 . ?
C23 C24 1.382(10) . ?
C27 H27 0.9300 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C33 H33C 0.9700 . ?
C33 H33D 0.9700 . ?
C33 C34A 1.463(13) . ?
C33 C34B 1.37(2) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 C8 1.472(9) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C29 C28 1.507(13) . ?
C36B H36A 0.9600 . ?
C36B H36B 0.9600 . ?
C36B H36C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
O9 H9D 0.89(2) . ?
O9 H9E 0.90(2) . ?
C25 H25 0.9300 . ?
C25 C24 1.359(11) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C24 C60 1.535(10) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C34A H34A 0.9700 . ?
C34A H34B 0.9700 . ?
C34B H34C 0.9700 . ?
C34B H34D 0.9700 . ?
C36A H36D 0.9600 . ?
C36A H36E 0.9600 . ?
C36A H36F 0.9600 . ?

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
Au3 Au4 Au3 63.79(3) 2_655 . ?
C39 Au4 Au3 90.15(14) . . ?
C39 Au4 Au3 91.10(15) . 2_655 ?
C39 Au4 Au3 90.15(14) 2_655 2_655 ?
C39 Au4 Au3 91.09(15) 2_655 . ?
C39 Au4 C39 178.5(3) . 2_655 ?
Au1 Au2 Au1 66.61(4) 2_655 . ?
C20 Au2 Au1 84.22(15) . . ?
C20 Au2 Au1 93.31(15) . 2_655 ?
C20 Au2 Au1 84.22(15) 2_655 2_655 ?
C20 Au2 Au1 93.31(15) 2_655 . ?
C20 Au2 C20 177.0(3) . 2_655 ?
C18 Au1 Au2 92.74(16) . . ?
C18 Au1 C19 177.4(2) . . ?
C19 Au1 Au2 89.50(19) . . ?
C37 Au3 Au4 88.90(15) . . ?
C38 Au3 Au4 93.00(19) . . ?
C38 Au3 C37 175.8(3) . . ?
O4 Zn4 Zn3 39.36(11) . . ?
O4 Zn4 O3 77.36(17) . . ?
O4 Zn4 N14 105.67(19) . . ?
O4 Zn4 N11 103.32(17) . . ?
O4 Zn4 N10 149.3(2) . . ?
O3 Zn4 Zn3 43.64(11) . . ?
O3 Zn4 N11 150.23(18) . . ?
N14 Zn4 Zn3 93.96(11) . . ?
N14 Zn4 O3 105.81(18) . . ?
N14 Zn4 N11 102.62(18) . . ?
N14 Zn4 N10 102.6(2) . . ?
N11 Zn4 Zn3 142.52(13) . . ?
N10 Zn4 Zn3 127.30(14) . . ?
N10 Zn4 O3 83.66(18) . . ?
N10 Zn4 N11 81.7(2) . . ?
O1 Zn2 Zn1 43.81(9) . . ?
O1 Zn2 N4 147.49(18) . . ?
O1 Zn2 N3 83.74(16) . . ?
O2 Zn2 Zn1 39.39(12) . . ?
O2 Zn2 O1 78.91(16) . . ?
O2 Zn2 N7 104.88(19) . . ?
O2 Zn2 N4 103.53(19) . . ?
O2 Zn2 N3 153.49(18) . . ?
N7 Zn2 Zn1 99.48(12) . . ?
N7 Zn2 O1 111.87(18) . . ?
N7 Zn2 N4 99.0(2) . . ?
N7 Zn2 N3 100.1(2) . . ?
N4 Zn2 Zn1 142.01(14) . . ?
N3 Zn2 Zn1 127.55(14) . . ?
N3 Zn2 N4 80.9(2) . . ?
O1 Zn1 Zn2 43.02(9) . . ?
O1 Zn1 N2 159.04(17) . . ?
O2 Zn1 Zn2 40.04(12) . . ?
O2 Zn1 O1 78.77(16) . . ?
O2 Zn1 N5 109.26(19) . . ?
O2 Zn1 N1 146.10(19) . . ?
O2 Zn1 N2 104.82(19) . . ?
N5 Zn1 Zn2 92.29(12) . . ?
N5 Zn1 O1 95.76(18) . . ?
N5 Zn1 N1 101.4(2) . . ?
N5 Zn1 N2 102.3(2) . . ?
N1 Zn1 Zn2 126.70(13) . . ?
N1 Zn1 O1 84.16(16) . . ?
N1 Zn1 N2 81.89(18) . . ?
N2 Zn1 Zn2 144.83(14) . . ?
O4 Zn3 Zn4 39.67(11) . . ?
O4 Zn3 O3 77.72(17) . . ?
O4 Zn3 N12 114.3(2) . . ?
O4 Zn3 N8 145.6(2) . . ?
O4 Zn3 N9 104.30(19) . . ?
O3 Zn3 Zn4 43.74(11) . . ?
O3 Zn3 N9 156.2(2) . . ?
N12 Zn3 Zn4 95.89(13) . . ?
N12 Zn3 O3 99.37(19) . . ?
N12 Zn3 N8 97.0(2) . . ?
N12 Zn3 N9 101.2(2) . . ?
N8 Zn3 Zn4 127.19(18) . . ?
N8 Zn3 O3 83.6(2) . . ?
N8 Zn3 N9 82.1(2) . . ?
N9 Zn3 Zn4 143.93(16) . . ?
O6 Cl1 O8 112.1(6) . . ?
O7 Cl1 O6 111.1(10) . . ?
O7 Cl1 O5 107.8(9) . . ?
O7 Cl1 O8 112.5(5) . . ?
O5 Cl1 O6 96.2(10) . . ?
O5 Cl1 O8 116.1(8) . . ?
Zn2 O1 Zn1 93.17(14) . . ?
C1 O1 Zn2 132.4(3) . . ?
C1 O1 Zn1 128.6(3) . . ?
Zn2 O2 H2 109(5) . . ?
Zn1 O2 Zn2 100.6(2) . . ?
Zn1 O2 H2 114(5) . . ?
Zn4 O4 H4 106(5) . . ?
Zn3 O4 Zn4 100.97(19) . . ?
Zn3 O4 H4 109(3) . . ?
Zn3 O3 Zn4 92.62(18) . . ?
C21 O3 Zn4 131.4(4) . . ?
C21 O3 Zn3 129.8(4) . . ?
C37 N12 Zn3 168.1(5) . . ?
C39 N14 Zn4 171.6(4) . . ?
C18 N5 Zn1 165.4(4) . . ?
C17 N1 Zn1 125.5(4) . . ?
C17 N1 C7 120.1(5) . . ?
C7 N1 Zn1 112.8(4) . . ?
N14 C39 Au4 178.3(5) . . ?
C20 N7 Zn2 165.9(5) . . ?
C15 N4 Zn2 108.9(4) . . ?
C15 N4 C14 108.2(6) . . ?
C13 N4 Zn2 105.3(4) . . ?
C13 N4 C15 115.9(5) . . ?
C13 N4 C14 107.0(6) . . ?
C14 N4 Zn2 111.6(4) . . ?
O1 C1 C6 120.8(5) . . ?
O1 C1 C2 121.9(5) . . ?
C2 C1 C6 117.3(5) . . ?
C36B N11 Zn4 104.9(15) . . ?
C35 N11 Zn4 114.2(4) . . ?
C35 N11 C36B 94.9(16) . . ?
C35 N11 C34A 100.6(8) . . ?
C35 N11 C34B 135.8(12) . . ?
C35 N11 C36A 112.5(8) . . ?
C34A N11 Zn4 105.5(5) . . ?
C34B N11 Zn4 98.7(9) . . ?
C34B N11 C36B 104.4(16) . . ?
C36A N11 Zn4 111.1(6) . . ?
C36A N11 C34A 112.2(7) . . ?
N12 C37 Au3 177.9(5) . . ?
C11 N3 Zn2 126.7(4) . . ?
C11 N3 C12 121.0(5) . . ?
C12 N3 Zn2 111.7(4) . . ?
C27 N8 Zn3 126.0(5) . . ?
C27 N8 C28 120.0(7) . . ?
C28 N8 Zn3 111.9(5) . . ?
C32 N10 Zn4 128.3(4) . . ?
C32 N10 C33 119.5(6) . . ?
C33 N10 Zn4 111.5(5) . . ?
C9 N2 Zn1 112.1(4) . . ?
C9 N2 C8 105.8(6) . . ?
C8 N2 Zn1 102.2(4) . . ?
C10 N2 Zn1 111.7(4) . . ?
C10 N2 C9 111.6(6) . . ?
C10 N2 C8 113.0(6) . . ?
C29 N9 Zn3 103.6(5) . . ?
C29 N9 C30 105.9(7) . . ?
C30 N9 Zn3 113.1(4) . . ?
C31 N9 Zn3 111.3(5) . . ?
C31 N9 C29 114.5(7) . . ?
C31 N9 C30 108.5(8) . . ?
C1 C6 C11 122.4(5) . . ?
C5 C6 C1 118.7(5) . . ?
C5 C6 C11 118.5(5) . . ?
N7 C20 Au2 175.0(5) . . ?
O3 C21 C26 120.8(6) . . ?
O3 C21 C22 120.5(5) . . ?
C22 C21 C26 118.6(6) . . ?
N5 C18 Au1 179.2(6) . . ?
N6 C19 Au1 178.9(8) . . ?
C1 C2 C17 122.9(5) . . ?
C3 C2 C1 120.3(6) . . ?
C3 C2 C17 116.8(5) . . ?
C21 C26 C27 122.5(6) . . ?
C25 C26 C21 117.7(7) . . ?
C25 C26 C27 119.6(7) . . ?
C21 C22 C32 122.9(6) . . ?
C23 C22 C21 119.3(6) . . ?
C23 C22 C32 117.7(6) . . ?
C2 C3 H3 118.3 . . ?
C2 C3 C4 123.5(6) . . ?
C4 C3 H3 118.3 . . ?
N3 C11 C6 126.4(5) . . ?
N3 C11 H11 116.8 . . ?
C6 C11 H11 116.8 . . ?
N1 C17 C2 127.3(5) . . ?
N1 C17 H17 116.3 . . ?
C2 C17 H17 116.3 . . ?
C3 C4 C16 121.3(7) . . ?
C5 C4 C3 116.4(6) . . ?
C5 C4 C16 122.2(7) . . ?
N13 C38 Au3 177.2(7) . . ?
N10 C32 C22 127.2(6) . . ?
N10 C32 H32 116.4 . . ?
C22 C32 H32 116.4 . . ?
C6 C5 H5 118.1 . . ?
C4 C5 C6 123.7(6) . . ?
C4 C5 H5 118.1 . . ?
N3 C12 H12A 109.3 . . ?
N3 C12 H12B 109.3 . . ?
H12A C12 H12B 108.0 . . ?
C13 C12 N3 111.6(5) . . ?
C13 C12 H12A 109.3 . . ?
C13 C12 H12B 109.3 . . ?
C22 C23 H23 119.0 . . ?
C24 C23 C22 122.0(7) . . ?
C24 C23 H23 119.0 . . ?
N8 C27 C26 127.3(6) . . ?
N8 C27 H27 116.4 . . ?
C26 C27 H27 116.4 . . ?
N2 C9 H9A 109.5 . . ?
N2 C9 H9B 109.5 . . ?
N2 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N4 C15 H15A 109.5 . . ?
N4 C15 H15B 109.5 . . ?
N4 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N4 C13 C12 112.6(6) . . ?
N4 C13 H13A 109.1 . . ?
N4 C13 H13B 109.1 . . ?
C12 C13 H13A 109.1 . . ?
C12 C13 H13B 109.1 . . ?
H13A C13 H13B 107.8 . . ?
N10 C33 H33A 109.9 . . ?
N10 C33 H33B 109.9 . . ?
N10 C33 H33C 109.3 . . ?
N10 C33 H33D 109.3 . . ?
H33A C33 H33B 108.3 . . ?
H33C C33 H33D 107.9 . . ?
C34A C33 N10 108.8(6) . . ?
C34A C33 H33A 109.9 . . ?
C34A C33 H33B 109.9 . . ?
C34B C33 N10 111.7(9) . . ?
C34B C33 H33C 109.3 . . ?
C34B C33 H33D 109.3 . . ?
N1 C7 H7A 109.9 . . ?
N1 C7 H7B 109.9 . . ?
N1 C7 C8 109.1(5) . . ?
H7A C7 H7B 108.3 . . ?
C8 C7 H7A 109.9 . . ?
C8 C7 H7B 109.9 . . ?
N4 C14 H14A 109.5 . . ?
N4 C14 H14B 109.5 . . ?
N4 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N9 C29 H29A 109.3 . . ?
N9 C29 H29B 109.3 . . ?
N9 C29 C28 111.5(7) . . ?
H29A C29 H29B 108.0 . . ?
C28 C29 H29A 109.3 . . ?
C28 C29 H29B 109.3 . . ?
N11 C36B H36A 109.5 . . ?
N11 C36B H36B 109.5 . . ?
N11 C36B H36C 109.5 . . ?
H36A C36B H36B 109.5 . . ?
H36A C36B H36C 109.5 . . ?
H36B C36B H36C 109.5 . . ?
N9 C30 H30A 109.5 . . ?
N9 C30 H30B 109.5 . . ?
N9 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N9 C31 H31A 109.5 . . ?
N9 C31 H31B 109.5 . . ?
N9 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
H9D O9 H9E 100(4) . . ?
C26 C25 H25 117.5 . . ?
C24 C25 C26 125.0(7) . . ?
C24 C25 H25 117.5 . . ?
N8 C28 C29 108.8(6) . . ?
N8 C28 H28A 109.9 . . ?
N8 C28 H28B 109.9 . . ?
C29 C28 H28A 109.9 . . ?
C29 C28 H28B 109.9 . . ?
H28A C28 H28B 108.3 . . ?
C23 C24 C60 121.5(9) . . ?
C25 C24 C23 117.1(7) . . ?
C25 C24 C60 121.3(9) . . ?
C4 C16 H16A 109.5 . . ?
C4 C16 H16B 109.5 . . ?
C4 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C24 C60 H60A 109.5 . . ?
C24 C60 H60B 109.5 . . ?
C24 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
N2 C8 H8A 109.2 . . ?
N2 C8 H8B 109.2 . . ?
C7 C8 N2 112.0(6) . . ?
C7 C8 H8A 109.2 . . ?
C7 C8 H8B 109.2 . . ?
H8A C8 H8B 107.9 . . ?
N2 C10 H10A 109.5 . . ?
N2 C10 H10B 109.5 . . ?
N2 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N11 C35 H35A 109.5 . . ?
N11 C35 H35B 109.5 . . ?
N11 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
N11 C34A H34A 109.2 . . ?
N11 C34A H34B 109.2 . . ?
C33 C34A N11 111.9(8) . . ?
C33 C34A H34A 109.2 . . ?
C33 C34A H34B 109.2 . . ?
H34A C34A H34B 107.9 . . ?
N11 C34B H34C 107.3 . . ?
N11 C34B H34D 107.3 . . ?
C33 C34B N11 119.9(18) . . ?
C33 C34B H34C 107.3 . . ?
C33 C34B H34D 107.3 . . ?
H34C C34B H34D 106.9 . . ?
N11 C36A H36D 109.5 . . ?
N11 C36A H36E 109.5 . . ?
N11 C36A H36F 109.5 . . ?
H36D C36A H36E 109.5 . . ?
H36D C36A H36F 109.5 . . ?
H36E C36A H36F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Zn4 O3 C21 C26 162.7(4) . . . . ?
Zn4 O3 C21 C22 -19.8(8) . . . . ?
Zn4 N11 C34A C33 -37.1(10) . . . . ?
Zn4 N11 C34B C33 45(2) . . . . ?
Zn4 N10 C32 C22 10.9(10) . . . . ?
Zn4 N10 C33 C34A -39.4(9) . . . . ?
Zn4 N10 C33 C34B 5.3(17) . . . . ?
Zn2 O1 C1 C6 -12.3(8) . . . . ?
Zn2 O1 C1 C2 169.1(4) . . . . ?
Zn2 N4 C13 C12 46.3(7) . . . . ?
Zn2 N3 C11 C6 19.3(9) . . . . ?
Zn2 N3 C12 C13 12.1(8) . . . . ?
Zn1 O1 C1 C6 -157.8(4) . . . . ?
Zn1 O1 C1 C2 23.6(7) . . . . ?
Zn1 N1 C17 C2 -16.7(9) . . . . ?
Zn1 N1 C7 C8 -23.8(7) . . . . ?
Zn1 N2 C8 C7 -48.6(7) . . . . ?
Zn3 O3 C21 C26 18.0(8) . . . . ?
Zn3 O3 C21 C22 -164.5(4) . . . . ?
Zn3 N8 C27 C26 -21.6(10) . . . . ?
Zn3 N8 C28 C29 -20.5(9) . . . . ?
Zn3 N9 C29 C28 -49.8(8) . . . . ?
O1 C1 C6 C11 -9.7(8) . . . . ?
O1 C1 C6 C5 177.7(5) . . . . ?
O1 C1 C2 C3 -178.7(5) . . . . ?
O1 C1 C2 C17 2.6(9) . . . . ?
O3 C21 C26 C27 6.7(9) . . . . ?
O3 C21 C26 C25 -178.4(6) . . . . ?
O3 C21 C22 C32 -2.2(9) . . . . ?
O3 C21 C22 C23 178.7(5) . . . . ?
N1 C7 C8 N2 50.0(9) . . . . ?
C1 C6 C11 N3 5.6(10) . . . . ?
C1 C6 C5 C4 2.4(9) . . . . ?
C1 C2 C3 C4 -0.1(10) . . . . ?
C1 C2 C17 N1 -6.0(10) . . . . ?
N3 C12 C13 N4 -40.0(9) . . . . ?
N10 C33 C34A N11 51.6(12) . . . . ?
N10 C33 C34B N11 -37(3) . . . . ?
N9 C29 C28 N8 48.5(10) . . . . ?
C6 C1 C2 C3 2.6(8) . . . . ?
C6 C1 C2 C17 -176.1(5) . . . . ?
C21 C26 C27 N8 -4.6(11) . . . . ?
C21 C26 C25 C24 -0.4(11) . . . . ?
C21 C22 C32 N10 6.7(10) . . . . ?
C21 C22 C23 C24 -0.3(10) . . . . ?
C2 C1 C6 C11 168.9(5) . . . . ?
C2 C1 C6 C5 -3.7(8) . . . . ?
C2 C3 C4 C5 -1.3(10) . . . . ?
C2 C3 C4 C16 178.4(7) . . . . ?
C26 C21 C22 C32 175.3(6) . . . . ?
C26 C21 C22 C23 -3.8(8) . . . . ?
C26 C25 C24 C23 -3.7(11) . . . . ?
C26 C25 C24 C60 -180.0(7) . . . . ?
C22 C21 C26 C27 -170.8(6) . . . . ?
C22 C21 C26 C25 4.1(9) . . . . ?
C22 C23 C24 C25 4.0(11) . . . . ?
C22 C23 C24 C60 -179.7(7) . . . . ?
C3 C2 C17 N1 175.3(6) . . . . ?
C3 C4 C5 C6 0.1(10) . . . . ?
C11 N3 C12 C13 -159.6(6) . . . . ?
C11 C6 C5 C4 -170.5(6) . . . . ?
C17 N1 C7 C8 142.6(6) . . . . ?
C17 C2 C3 C4 178.7(6) . . . . ?
C32 N10 C33 C34A 149.3(8) . . . . ?
C32 N10 C33 C34B -165.9(16) . . . . ?
C32 C22 C23 C24 -179.4(6) . . . . ?
C5 C6 C11 N3 178.2(6) . . . . ?
C12 N3 C11 C6 -170.3(6) . . . . ?
C23 C22 C32 N10 -174.2(6) . . . . ?
C27 N8 C28 C29 144.1(8) . . . . ?
C27 C26 C25 C24 174.7(7) . . . . ?
C9 N2 C8 C7 -166.1(6) . . . . ?
C15 N4 C13 C12 -74.0(8) . . . . ?
C33 N10 C32 C22 -179.5(7) . . . . ?
C7 N1 C17 C2 178.8(6) . . . . ?
C14 N4 C13 C12 165.2(6) . . . . ?
C36B N11 C34B C33 153(3) . . . . ?
C30 N9 C29 C28 -169.1(7) . . . . ?
C31 N9 C29 C28 71.5(9) . . . . ?
C25 C26 C27 N8 -179.5(7) . . . . ?
C28 N8 C27 C26 176.1(6) . . . . ?
C16 C4 C5 C6 -179.6(7) . . . . ?
C10 N2 C8 C7 71.5(8) . . . . ?
C35 N11 C34A C33 -156.1(8) . . . . ?
C35 N11 C34B C33 -94(2) . . . . ?
C36A N11 C34A C33 84.1(10) . . . . ?

_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
;
_oxdiff_exptl_absorpt_empirical_full_max 1.421
_oxdiff_exptl_absorpt_empirical_full_min 0.660
