# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_24gtu079_h6l_zn_dmf_h2o_0m
_database_code_depnum_ccdc_archive 'CCDC 2369902'
loop_
_audit_author_name
_audit_author_address
'Yunus Zorlu'
;Gebze Technical University
T?rkiye
;
_audit_update_record             
;
2024-07-11 deposited with the CCDC.	2026-03-30 downloaded from the CCDC.
;
_audit_creation_date             2024-07-11
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C114 H72 N15 O18 P3 Zn4, 2[HCOO], 2[H2O], 4[C3H7NO], 1[H2O]'
_chemical_formula_sum            'C128 H108 N19 O29 P3 Zn4'
_chemical_formula_weight         2730.72
_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'
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'
P P 0.1023 0.0942 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.7500(10)
_cell_length_b                   18.5661(13)
_cell_length_c                   24.1716(18)
_cell_angle_alpha                89.065(3)
_cell_angle_beta                 83.323(3)
_cell_angle_gamma                70.045(3)
_cell_volume                     6177.8(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7008
_cell_measurement_temperature    298
_cell_measurement_theta_max      18.21
_cell_measurement_theta_min      2.26
_shelx_estimated_absorpt_T_max   0.878
_shelx_estimated_absorpt_T_min   0.828
_exptl_absorpt_coefficient_mu    0.891
_exptl_absorpt_correction_T_max  0.7349
_exptl_absorpt_correction_T_min  0.6815
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1039 before and 0.0626 after correction.
The Ratio of minimum to maximum transmission is 0.9273.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.468
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2812
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1061
_diffrn_reflns_av_unetI/netI     0.1070
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            117279
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.146
_diffrn_reflns_theta_max         25.146
_diffrn_reflns_theta_min         1.460
_diffrn_ambient_temperature      298
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX2 microsource'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10059
_reflns_number_total             22037
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.919
_refine_diff_density_min         -0.697
_refine_diff_density_rms         0.072
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.982
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1424
_refine_ls_number_reflns         22037
_refine_ls_number_restraints     1147
_refine_ls_R_factor_all          0.1407
_refine_ls_R_factor_gt           0.0645
_refine_ls_restrained_S_all      1.024
_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)+(0.1004P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1684
_refine_ls_wR_factor_ref         0.2048
_refine_special_details          SQUEEZE
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 O16-C28 = O15-C28
 1.23 with sigma of 0.01
 C28-C24
 1.45 with sigma of 0.01
 C46-C39
 1.45 with sigma of 0.01
 O11-C46 = O12-C46
 1.25 with sigma of 0.005
 O11-O12
 2.241 with sigma of 0.01
 O15-O16
 2.241 with sigma of 0.01
 C36-C41 \\sim C36-C44
 with sigma of 0.02
 C36-C37 \\sim C36-C43
 with sigma of 0.02
 C40-C41 \\sim C45-C44
 with sigma of 0.02
 C40-C39 \\sim C45-C39
 with sigma of 0.02
 C39-C38 \\sim C39-C42
 with sigma of 0.02
 C37-C38 \\sim C43-C42
 with sigma of 0.02
 C36-C40 \\sim C36-C45
 with sigma of 0.04
 C36-C38 \\sim C36-C42
 with sigma of 0.04
 C41-C39 \\sim C44-C39
 with sigma of 0.04
 C39-C37 \\sim C39-C43
 with sigma of 0.04
3. Restrained planarity
 C46, O12, O11, C39
 with sigma of 0.01
4. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
5. Others
 Sof(C42)=Sof(H42)=Sof(C43)=Sof(H43)=Sof(C44)=Sof(H44)=Sof(C45)=Sof(H45)=1-
 FVAR(1)
 Sof(C37)=Sof(H37)=Sof(C38)=Sof(H38)=Sof(C40)=Sof(H40)=Sof(C41)=Sof(H41)=FVAR(1)
6.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C9(H9), C10(H10), C11(H11), C13(H13),
 C16(H16), C17(H17), C19(H19), C20(H20), C23(H23), C25(H25), C26(H26), C27(H27),
  C30(H30), C31(H31), C33(H33), C34(H34), C37(H37), C38(H38), C40(H40),
 C41(H41), C42(H42), C43(H43), C44(H44), C45(H45), C47(H47), C48(H48), C49(H49),
  C50(H50), C53(H53), C55(H55), C58(H58), C59(H59), C60(H60), C61(H61),
 C63(H63), C64(H64), C66(H66), C67(H67), C69(H69), C71(H71), C74(H74), C75(H75),
  C76(H76), C77(H77), C79(H79), C80(H80), C81(H81), C82(H82), C83(H83),
 C84(H84), C85(H85), C86(H86), C89(H89), C91(H91), C94(H94), C95(H95), C96(H96),
  C97(H97), C99(H99), C100(H100), C102(H102), C103(H103), C105(H105),
 C108(H108), C109(H109), C110(H110), C111(H111), C113(H113), C115(H115),
 C116(H116), C117(H117), C118(H118)
;
_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
Zn1 Zn 1.10879(8) 0.17716(4) 0.26103(3) 0.1152(4) Uani 1 1 d . U . . .
Zn2 Zn 1.00499(5) 0.41333(4) 0.29636(3) 0.0705(2) Uani 1 1 d . U . . .
Zn3 Zn 0.21363(5) 0.27234(4) 0.78226(3) 0.0744(2) Uani 1 1 d . U . . .
Zn4 Zn 0.67519(5) -0.02280(3) 0.26309(3) 0.0596(2) Uani 1 1 d . U . . .
P1 P 0.60022(11) 0.34388(8) 0.53085(6) 0.0556(4) Uani 1 1 d . U . . .
P2 P 0.62286(10) 0.45716(7) 0.59436(6) 0.0498(4) Uani 1 1 d . U . . .
P3 P 0.74326(11) 0.30825(8) 0.60038(6) 0.0604(4) Uani 1 1 d . U . . .
O1 O 0.5123(3) 0.3132(2) 0.53308(15) 0.0697(10) Uani 1 1 d . U . . .
O2 O 0.6212(3) 0.3478(2) 0.46495(14) 0.0646(10) Uani 1 1 d . U . . .
O3 O 0.7286(3) 0.2727(2) 0.65908(15) 0.0779(11) Uani 1 1 d . U . . .
O4 O 0.8562(3) 0.2680(2) 0.58543(15) 0.0690(10) Uani 1 1 d . U . . .
O5 O 0.5519(2) 0.50202(18) 0.64680(13) 0.0541(9) Uani 1 1 d . U . . .
O6 O 0.6473(2) 0.52984(17) 0.57167(13) 0.0540(9) Uani 1 1 d . U . . .
O7 O 1.0372(4) 0.2206(3) 0.3337(2) 0.1240(17) Uani 1 1 d . U . . .
O8 O 1.0517(3) 0.3319(3) 0.35026(19) 0.0999(14) Uani 1 1 d . U . . .
O9 O 0.9148(3) 0.4947(2) 0.34382(15) 0.0692(10) Uani 1 1 d . U . . .
O10 O 1.0070(3) 0.5240(3) 0.39920(17) 0.0970(15) Uani 1 1 d . U . . .
O11 O 0.6036(5) 0.1516(4) 0.2565(3) 0.193(3) Uani 1 1 d D U . . .
O12 O 0.6537(3) 0.0615(2) 0.31592(18) 0.0922(13) Uani 1 1 d D U . . .
O13 O 0.2633(3) 0.1966(2) 0.72016(18) 0.0938(13) Uani 1 1 d . U . . .
O14 O 0.3849(3) 0.0898(2) 0.69681(17) 0.0839(12) Uani 1 1 d . U . . .
O15 O 0.8084(5) -0.0435(4) 0.7757(4) 0.229(4) Uani 1 1 d D U . . .
O16 O 0.8186(9) -0.0814(4) 0.6891(4) 0.322(5) Uani 1 1 d D U . . .
O17 O 0.2485(3) 0.3594(2) 0.76140(18) 0.0782(11) Uani 1 1 d . U . . .
O18 O 0.3137(3) 0.3769(3) 0.83705(19) 0.0942(14) Uani 1 1 d . U . . .
N00K N 0.9955(4) 0.5538(2) -0.21490(18) 0.0641(12) Uani 1 1 d . U . . .
N00R N 1.1161(4) 0.6123(3) -0.2654(2) 0.0717(13) Uani 1 1 d . U . . .
N1 N 0.6892(3) 0.2842(2) 0.55616(17) 0.0578(11) Uani 1 1 d . U . . .
N2 N 0.5659(3) 0.4287(2) 0.55398(16) 0.0498(10) Uani 1 1 d . U . . .
N3 N 0.7176(3) 0.3958(2) 0.61339(16) 0.0536(11) Uani 1 1 d . U . . .
N4 N 0.0663(3) 0.3123(3) 0.7631(2) 0.0702(13) Uani 1 1 d . U . . .
N5 N 0.1411(3) 0.2331(2) 0.8460(2) 0.0629(12) Uani 1 1 d . U . . .
N6 N 0.3264(4) 0.2090(3) 0.8311(2) 0.0828(15) Uani 1 1 d . U . . .
N7 N 0.9743(5) 0.1688(3) 0.2376(2) 0.112(2) Uani 1 1 d . U . . .
N8 N 1.0891(5) 0.2329(3) 0.1867(2) 0.0770(14) Uani 1 1 d . U . . .
N9 N 1.2316(5) 0.2144(3) 0.2441(3) 0.1087(19) Uani 1 1 d . U . . .
N10 N 0.8579(4) 0.5738(3) -0.2760(2) 0.0750(13) Uani 1 1 d . U . . .
N11 N -0.1726(3) -0.0725(3) 1.2767(2) 0.0664(12) Uani 1 1 d . U . . .
N12 N -0.2462(3) -0.0124(2) 1.18832(18) 0.0561(11) Uani 1 1 d . U . . .
N13 N -0.4298(3) 0.0141(2) 1.20452(19) 0.0623(12) Uani 1 1 d . U . . .
C1 C 0.7179(4) 0.5234(3) 0.5262(2) 0.0511(12) Uani 1 1 d . U . . .
C2 C 0.7070(4) 0.5018(3) 0.4755(2) 0.0632(14) Uani 1 1 d . U . . .
H2 H 0.653045 0.488918 0.469883 0.076 Uiso 1 1 calc R U . . .
C3 C 0.7780(4) 0.4988(3) 0.4313(2) 0.0611(14) Uani 1 1 d . U . . .
H3 H 0.772249 0.481971 0.396333 0.073 Uiso 1 1 calc R U . . .
C4 C 0.8556(4) 0.5201(3) 0.4383(2) 0.0524(12) Uani 1 1 d . U . . .
C5 C 0.8650(4) 0.5413(3) 0.4905(2) 0.0712(15) Uani 1 1 d . U . . .
H5 H 0.918134 0.555172 0.496228 0.085 Uiso 1 1 calc R U . . .
C6 C 0.7965(4) 0.5424(3) 0.5349(2) 0.0742(16) Uani 1 1 d . U . . .
H6 H 0.804073 0.555925 0.570512 0.089 Uiso 1 1 calc R U . . .
C7 C 0.9332(4) 0.5127(3) 0.3910(2) 0.0630(14) Uani 1 1 d . U . . .
C8 C 0.8990(4) 0.2706(3) 0.5308(3) 0.0688(15) Uani 1 1 d . U . . .
C9 C 0.9327(4) 0.3299(3) 0.5152(3) 0.0752(16) Uani 1 1 d . U . . .
H9 H 0.926724 0.368745 0.540655 0.090 Uiso 1 1 calc R U . . .
C10 C 0.9124(5) 0.2112(4) 0.4948(3) 0.0862(18) Uani 1 1 d . U . . .
H10 H 0.892827 0.170123 0.506118 0.103 Uiso 1 1 calc R U . . .
C11 C 0.9559(5) 0.2131(4) 0.4406(3) 0.0891(18) Uani 1 1 d . U . . .
H11 H 0.963835 0.173416 0.415504 0.107 Uiso 1 1 calc R U . . .
C12 C 0.9875(4) 0.2726(4) 0.4236(3) 0.0732(15) Uani 1 1 d . U . . .
C13 C 0.9751(4) 0.3306(3) 0.4617(3) 0.0778(17) Uani 1 1 d . U . . .
H13 H 0.995884 0.371261 0.450874 0.093 Uiso 1 1 calc R U . . .
C14 C 1.0282(5) 0.2747(4) 0.3643(3) 0.0923(18) Uani 1 1 d . U . . .
C15 C 0.4767(4) 0.2768(3) 0.5761(2) 0.0649(14) Uani 1 1 d . U . . .
C16 C 0.5288(5) 0.2062(4) 0.5914(3) 0.0910(19) Uani 1 1 d . U . . .
H16 H 0.593087 0.182812 0.576258 0.109 Uiso 1 1 calc R U . . .
C17 C 0.4847(5) 0.1686(4) 0.6305(3) 0.0912(19) Uani 1 1 d . U . . .
H17 H 0.519446 0.119057 0.640446 0.109 Uiso 1 1 calc R U . . .
C18 C 0.3927(4) 0.2028(3) 0.6541(2) 0.0677(15) Uani 1 1 d . U . . .
C19 C 0.3419(5) 0.2750(3) 0.6379(3) 0.0886(19) Uani 1 1 d . U . . .
H19 H 0.278062 0.299223 0.653538 0.106 Uiso 1 1 calc R U . . .
C20 C 0.3840(5) 0.3119(3) 0.5989(3) 0.0832(18) Uani 1 1 d . U . . .
H20 H 0.348918 0.360877 0.588208 0.100 Uiso 1 1 calc R U . . .
C21 C 0.3449(5) 0.1605(4) 0.6930(3) 0.0744(15) Uani 1 1 d . U . . .
C22 C 0.7394(4) 0.1968(4) 0.6713(3) 0.0789(17) Uani 1 1 d . U . . .
C23 C 0.7152(5) 0.1843(4) 0.7246(3) 0.103(2) Uani 1 1 d . U . . .
H23 H 0.686770 0.225149 0.750024 0.123 Uiso 1 1 calc R U . . .
C24 C 0.7733(6) 0.0490(4) 0.7069(5) 0.144(3) Uani 1 1 d D U . . .
C25 C 0.7930(6) 0.0641(4) 0.6540(4) 0.131(3) Uani 1 1 d . U . . .
H25 H 0.818853 0.023171 0.628528 0.157 Uiso 1 1 calc R U . . .
C26 C 0.7769(5) 0.1388(4) 0.6339(3) 0.103(2) Uani 1 1 d . U . . .
H26 H 0.791762 0.147322 0.596501 0.123 Uiso 1 1 calc R U . . .
C27 C 0.7332(5) 0.1093(5) 0.7416(4) 0.130(3) Uani 1 1 d . U . . .
H27 H 0.716474 0.100874 0.778854 0.155 Uiso 1 1 calc R U . . .
C28 C 0.8033(9) -0.0320(5) 0.7258(4) 0.212(4) Uani 1 1 d D U . . .
C29 C 0.4944(4) 0.4685(3) 0.6800(2) 0.0547(13) Uani 1 1 d . U . . .
C30 C 0.5261(4) 0.4337(3) 0.7271(2) 0.0687(15) Uani 1 1 d . U . . .
H30 H 0.587774 0.428200 0.735956 0.082 Uiso 1 1 calc R U . . .
C31 C 0.4639(4) 0.4061(3) 0.7621(2) 0.0705(15) Uani 1 1 d . U . . .
H31 H 0.483681 0.383507 0.795255 0.085 Uiso 1 1 calc R U . . .
C32 C 0.3736(4) 0.4119(3) 0.7483(2) 0.0606(14) Uani 1 1 d . U . . .
C33 C 0.3452(4) 0.4448(3) 0.6996(2) 0.0629(14) Uani 1 1 d . U . . .
H33 H 0.285479 0.447082 0.689258 0.075 Uiso 1 1 calc R U . . .
C34 C 0.4049(4) 0.4750(3) 0.6651(2) 0.0596(14) Uani 1 1 d . U . . .
H34 H 0.384511 0.499117 0.632471 0.072 Uiso 1 1 calc R U . . .
C35 C 0.3080(5) 0.3799(3) 0.7867(3) 0.0743(16) Uani 1 1 d . U . . .
C36 C 0.6215(5) 0.2893(3) 0.4288(2) 0.0677(14) Uani 1 1 d D U . . .
C37 C 0.5730(7) 0.3136(5) 0.3827(4) 0.077(2) Uani 0.679(7) 1 d D U P A 1
H37 H 0.539794 0.365492 0.378568 0.093 Uiso 0.679(7) 1 calc R U P A 1
C38 C 0.5735(7) 0.2621(5) 0.3435(4) 0.084(2) Uani 0.679(7) 1 d D U P A 1
H38 H 0.548734 0.278036 0.309968 0.101 Uiso 0.679(7) 1 calc R U P A 1
C39 C 0.6139(5) 0.1811(4) 0.3554(3) 0.1013(19) Uani 1 1 d D U . . .
C40 C 0.6745(12) 0.1638(8) 0.3917(8) 0.094(3) Uani 0.679(7) 1 d D U P A 1
H40 H 0.717071 0.113576 0.391991 0.113 Uiso 0.679(7) 1 calc R U P A 1
C41 C 0.6799(8) 0.2168(6) 0.4312(5) 0.085(3) Uani 0.679(7) 1 d D U P A 1
H41 H 0.722766 0.201675 0.457927 0.102 Uiso 0.679(7) 1 calc R U P A 1
C42 C 0.5245(12) 0.2360(10) 0.3842(8) 0.082(3) Uani 0.321(7) 1 d D U P A 2
H42 H 0.464976 0.230292 0.381431 0.098 Uiso 0.321(7) 1 calc R U P A 2
C43 C 0.5287(12) 0.2953(10) 0.4150(8) 0.079(3) Uani 0.321(7) 1 d D U P A 2
H43 H 0.473668 0.337346 0.426386 0.094 Uiso 0.321(7) 1 calc R U P A 2
C44 C 0.6969(16) 0.2271(11) 0.4173(11) 0.086(4) Uani 0.321(7) 1 d D U P A 2
H44 H 0.755981 0.221566 0.429919 0.103 Uiso 0.321(7) 1 calc R U P A 2
C45 C 0.686(3) 0.1685(16) 0.3850(18) 0.092(4) Uani 0.321(7) 1 d D U P A 2
H45 H 0.731399 0.119397 0.384929 0.110 Uiso 0.321(7) 1 calc R U P A 2
C46 C 0.6232(3) 0.1302(3) 0.3058(3) 0.145(3) Uani 1 1 d D U . . .
C47 C 0.9145(8) 0.1358(4) 0.2671(4) 0.134(3) Uani 1 1 d . U . . .
H47 H 0.934710 0.110128 0.299273 0.161 Uiso 1 1 calc R U . . .
C48 C 0.8294(8) 0.1381(5) 0.2527(4) 0.134(3) Uani 1 1 d . U . . .
H48 H 0.791552 0.115364 0.275047 0.160 Uiso 1 1 calc R U . . .
C49 C 0.7972(7) 0.1733(4) 0.2055(4) 0.125(3) Uani 1 1 d . U . . .
H49 H 0.737865 0.175249 0.194851 0.150 Uiso 1 1 calc R U . . .
C50 C 0.8579(6) 0.2069(4) 0.1733(3) 0.108(2) Uani 1 1 d . U . . .
H50 H 0.839639 0.230265 0.140096 0.130 Uiso 1 1 calc R U . . .
C51 C 0.9438(6) 0.2050(4) 0.1910(3) 0.0950(19) Uani 1 1 d . U . . .
C52 C 1.0129(6) 0.2387(3) 0.1607(3) 0.0780(17) Uani 1 1 d . U . . .
C53 C 0.9984(5) 0.2760(3) 0.1103(2) 0.0722(16) Uani 1 1 d . U . . .
H53 H 0.943024 0.281122 0.093489 0.087 Uiso 1 1 calc R U . . .
C54 C 1.0667(5) 0.3052(3) 0.0859(2) 0.0628(14) Uani 1 1 d . U . . .
C55 C 1.1472(5) 0.2975(3) 0.1125(3) 0.0730(16) Uani 1 1 d . U . . .
H55 H 1.194667 0.316525 0.096502 0.088 Uiso 1 1 calc R U . . .
C56 C 1.1574(5) 0.2604(3) 0.1641(3) 0.0762(16) Uani 1 1 d . U . . .
C57 C 1.2399(6) 0.2486(4) 0.1960(3) 0.095(2) Uani 1 1 d . U . . .
C58 C 1.3188(6) 0.2666(5) 0.1787(4) 0.115(2) Uani 1 1 d . U . . .
H58 H 1.323152 0.290583 0.144937 0.138 Uiso 1 1 calc R U . . .
C59 C 1.3930(7) 0.2493(5) 0.2111(5) 0.146(3) Uani 1 1 d . U . . .
H59 H 1.448740 0.261019 0.200034 0.175 Uiso 1 1 calc R U . . .
C60 C 1.3824(9) 0.2144(6) 0.2597(5) 0.157(4) Uani 1 1 d . U . . .
H60 H 1.432054 0.201803 0.282476 0.189 Uiso 1 1 calc R U . . .
C61 C 1.3041(8) 0.1981(5) 0.2754(4) 0.146(3) Uani 1 1 d . U . . .
H61 H 1.298887 0.174667 0.309370 0.176 Uiso 1 1 calc R U . . .
C62 C 1.0545(4) 0.3455(3) 0.0333(2) 0.0648(14) Uani 1 1 d . U . . .
C63 C 0.9627(5) 0.3867(3) 0.0189(2) 0.0719(16) Uani 1 1 d . U . . .
H63 H 0.908107 0.387418 0.042712 0.086 Uiso 1 1 calc R U . . .
C64 C 0.9512(4) 0.4263(3) -0.0296(2) 0.0742(16) Uani 1 1 d . U . . .
H64 H 0.888608 0.453316 -0.037659 0.089 Uiso 1 1 calc R U . . .
C65 C 1.0291(4) 0.4277(3) -0.0674(2) 0.0663(14) Uani 1 1 d . U . . .
C66 C 1.1213(5) 0.3835(3) -0.0539(2) 0.0735(16) Uani 1 1 d . U . . .
H66 H 1.175712 0.380558 -0.078745 0.088 Uiso 1 1 calc R U . . .
C67 C 1.1336(5) 0.3443(3) -0.0049(2) 0.0748(16) Uani 1 1 d . U . . .
H67 H 1.196054 0.316326 0.002868 0.090 Uiso 1 1 calc R U . . .
C68 C 1.0176(4) 0.4719(3) -0.1181(2) 0.0614(14) Uani 1 1 d . U . . .
C69 C 0.9346(4) 0.4844(3) -0.1446(2) 0.0640(14) Uani 1 1 d . U . . .
H69 H 0.886215 0.465608 -0.129953 0.077 Uiso 1 1 calc R U . . .
C70 C 0.9260(4) 0.5255(3) -0.1930(2) 0.0660(14) Uani 1 1 d . U . . .
C71 C 1.0865(4) 0.5026(3) -0.1403(2) 0.0626(14) Uani 1 1 d . U . . .
H71 H 1.141359 0.495797 -0.122583 0.075 Uiso 1 1 calc R U . . .
C72 C 1.0739(5) 0.5438(3) -0.1894(2) 0.0637(14) Uani 1 1 d . U . . .
C73 C 1.1399(4) 0.5810(3) -0.2168(2) 0.0640(14) Uani 1 1 d . U . . .
C74 C 1.2205(5) 0.5823(3) -0.1953(3) 0.0797(17) Uani 1 1 d . U . . .
H74 H 1.235818 0.559776 -0.161369 0.096 Uiso 1 1 calc R U . . .
C75 C 1.2789(5) 0.6171(4) -0.2243(3) 0.0868(18) Uani 1 1 d . U . . .
H75 H 1.333648 0.619171 -0.209756 0.104 Uiso 1 1 calc R U . . .
C76 C 1.2570(6) 0.6482(4) -0.2735(3) 0.0901(19) Uani 1 1 d . U . . .
H76 H 1.296635 0.671115 -0.294019 0.108 Uiso 1 1 calc R U . . .
C77 C 1.1740(5) 0.6451(3) -0.2927(3) 0.0855(18) Uani 1 1 d . U . . .
H77 H 1.157958 0.667253 -0.326670 0.103 Uiso 1 1 calc R U . . .
C78 C 0.8431(5) 0.5420(3) -0.2266(2) 0.0673(15) Uani 1 1 d . U . . .
C79 C 0.7574(5) 0.5300(4) -0.2084(3) 0.0780(16) Uani 1 1 d . U . . .
H79 H 0.748333 0.509435 -0.173695 0.094 Uiso 1 1 calc R U . . .
C80 C 0.6855(5) 0.5495(4) -0.2435(3) 0.096(2) Uani 1 1 d . U . . .
H80 H 0.626590 0.542687 -0.232220 0.115 Uiso 1 1 calc R U . . .
C81 C 0.7007(5) 0.5789(4) -0.2948(3) 0.096(2) Uani 1 1 d . U . . .
H81 H 0.653775 0.590246 -0.319280 0.115 Uiso 1 1 calc R U . . .
C82 C 0.7857(5) 0.5910(4) -0.3087(3) 0.0871(18) Uani 1 1 d . U . . .
H82 H 0.794991 0.612473 -0.343010 0.105 Uiso 1 1 calc R U . . .
C83 C 0.4222(5) 0.1973(4) 0.8219(4) 0.103(2) Uani 1 1 d . U . . .
H83 H 0.444974 0.216146 0.789377 0.124 Uiso 1 1 calc R U . . .
C84 C 0.4871(6) 0.1603(5) 0.8564(4) 0.109(2) Uani 1 1 d . U . . .
H84 H 0.552391 0.154356 0.847681 0.131 Uiso 1 1 calc R U . . .
C85 C 0.4563(5) 0.1316(4) 0.9040(4) 0.111(2) Uani 1 1 d . U . . .
H85 H 0.500074 0.105862 0.928574 0.133 Uiso 1 1 calc R U . . .
C86 C 0.3566(5) 0.1414(4) 0.9158(3) 0.0958(19) Uani 1 1 d . U . . .
H86 H 0.332933 0.122881 0.948206 0.115 Uiso 1 1 calc R U . . .
C87 C 0.2959(4) 0.1791(3) 0.8778(3) 0.0732(16) Uani 1 1 d . U . . .
C88 C 0.1895(4) 0.1910(3) 0.8858(3) 0.0626(14) Uani 1 1 d . U . . .
C89 C 0.1439(4) 0.1605(3) 0.9280(2) 0.0636(14) Uani 1 1 d . U . . .
H89 H 0.178964 0.131168 0.954995 0.076 Uiso 1 1 calc R U . . .
C90 C 0.0453(4) 0.1741(3) 0.9299(2) 0.0630(14) Uani 1 1 d . U . . .
C91 C -0.0040(4) 0.2188(3) 0.8882(2) 0.0641(15) Uani 1 1 d . U . . .
H91 H -0.070440 0.229242 0.888614 0.077 Uiso 1 1 calc R U . . .
C92 C 0.0455(4) 0.2472(3) 0.8466(2) 0.0615(14) Uani 1 1 d . U . . .
C93 C 0.0026(4) 0.2907(3) 0.7977(2) 0.0656(14) Uani 1 1 d . U . . .
C94 C -0.0909(5) 0.3063(3) 0.7876(3) 0.0797(17) Uani 1 1 d . U . . .
H94 H -0.133262 0.290660 0.812416 0.096 Uiso 1 1 calc R U . . .
C95 C -0.1226(5) 0.3448(4) 0.7411(3) 0.0928(19) Uani 1 1 d . U . . .
H95 H -0.186116 0.354898 0.733645 0.111 Uiso 1 1 calc R U . . .
C96 C -0.0602(6) 0.3681(4) 0.7059(3) 0.094(2) Uani 1 1 d . U . . .
H96 H -0.080082 0.394634 0.674049 0.112 Uiso 1 1 calc R U . . .
C97 C 0.0324(5) 0.3518(3) 0.7184(3) 0.0871(19) Uani 1 1 d . U . . .
H97 H 0.074511 0.369003 0.694541 0.105 Uiso 1 1 calc R U . . .
C98 C -0.0055(4) 0.1403(3) 0.9730(2) 0.0661(14) Uani 1 1 d . U . . .
C99 C 0.0306(4) 0.1203(3) 1.0239(3) 0.0745(16) Uani 1 1 d . U . . .
H99 H 0.086355 0.129598 1.030821 0.089 Uiso 1 1 calc R U . . .
C100 C -0.0152(4) 0.0870(3) 1.0640(2) 0.0722(16) Uani 1 1 d . U . . .
H100 H 0.010640 0.074179 1.097633 0.087 Uiso 1 1 calc R U . . .
C101 C -0.0985(4) 0.0721(3) 1.0560(2) 0.0614(14) Uani 1 1 d . U . . .
C102 C -0.1324(4) 0.0898(3) 1.0050(3) 0.0759(16) Uani 1 1 d . U . . .
H102 H -0.186938 0.078850 0.997697 0.091 Uiso 1 1 calc R U . . .
C103 C -0.0873(4) 0.1237(4) 0.9642(3) 0.0793(17) Uani 1 1 d . U . . .
H103 H -0.112517 0.135382 0.930301 0.095 Uiso 1 1 calc R U . . .
C104 C -0.1478(4) 0.0388(3) 1.1005(2) 0.0592(13) Uani 1 1 d . U . . .
C105 C -0.2468(4) 0.0513(3) 1.1033(2) 0.0657(15) Uani 1 1 d . U . . .
H105 H -0.281264 0.077371 1.074999 0.079 Uiso 1 1 calc R U . . .
C106 C -0.2947(4) 0.0254(3) 1.1476(2) 0.0589(13) Uani 1 1 d . U . . .
C107 C -0.3991(4) 0.0367(3) 1.1565(3) 0.0647(14) Uani 1 1 d . U . . .
C108 C -0.4613(5) 0.0673(4) 1.1170(3) 0.0837(18) Uani 1 1 d . U . . .
H108 H -0.438126 0.083367 1.083290 0.100 Uiso 1 1 calc R U . . .
C109 C -0.5575(5) 0.0738(4) 1.1275(3) 0.097(2) Uani 1 1 d . U . . .
H109 H -0.600255 0.095449 1.101462 0.116 Uiso 1 1 calc R U . . .
C110 C -0.5887(5) 0.0488(4) 1.1755(3) 0.091(2) Uani 1 1 d . U . . .
H110 H -0.652632 0.050362 1.182931 0.109 Uiso 1 1 calc R U . . .
C111 C -0.5248(5) 0.0209(4) 1.2134(3) 0.0836(18) Uani 1 1 d . U . . .
H111 H -0.547705 0.005645 1.247412 0.100 Uiso 1 1 calc R U . . .
C112 C -0.1499(4) -0.0277(3) 1.1866(2) 0.0570(13) Uani 1 1 d . U . . .
C113 C -0.0995(4) -0.0030(3) 1.1429(2) 0.0607(14) Uani 1 1 d . U . . .
H113 H -0.032808 -0.014475 1.141959 0.073 Uiso 1 1 calc R U . . .
C114 C -0.1078(4) -0.0670(3) 1.2354(2) 0.0591(13) Uani 1 1 d . U . . .
C115 C -0.0102(5) -0.0951(4) 1.2385(3) 0.0872(18) Uani 1 1 d . U . . .
H115 H 0.033593 -0.090836 1.208799 0.105 Uiso 1 1 calc R U . . .
C116 C 0.0214(5) -0.1296(5) 1.2864(3) 0.109(2) Uani 1 1 d . U . . .
H116 H 0.087621 -0.148799 1.289533 0.131 Uiso 1 1 calc R U . . .
C117 C -0.0435(6) -0.1360(5) 1.3297(3) 0.113(2) Uani 1 1 d . U . . .
H117 H -0.022681 -0.160018 1.362248 0.135 Uiso 1 1 calc R U . . .
C118 C -0.1399(5) -0.1060(4) 1.3234(3) 0.0915(19) Uani 1 1 d . U . . .
H118 H -0.184873 -0.108950 1.352880 0.110 Uiso 1 1 calc R 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
Zn1 O7 1.972(5) . ?
Zn1 O15 2.487(7) 2_756 ?
Zn1 O16 2.165(8) 2_756 ?
Zn1 N7 2.181(7) . ?
Zn1 N8 2.059(5) . ?
Zn1 N9 2.144(7) . ?
Zn1 C28 2.594(8) 2_756 ?
Zn2 O8 1.972(4) . ?
Zn2 O9 1.923(4) . ?
Zn2 N00K 2.052(5) 2_765 ?
Zn2 N00R 2.210(5) 2_765 ?
Zn2 N10 2.118(5) 2_765 ?
Zn3 O13 1.969(4) . ?
Zn3 O17 1.900(4) . ?
Zn3 N4 2.146(5) . ?
Zn3 N5 2.039(4) . ?
Zn3 N6 2.149(6) . ?
Zn4 O12 1.952(4) . ?
Zn4 O14 1.946(4) 2_656 ?
Zn4 N11 2.179(5) 1_654 ?
Zn4 N12 2.074(4) 1_654 ?
Zn4 N13 2.150(5) 1_654 ?
P1 O1 1.580(3) . ?
P1 O2 1.592(3) . ?
P1 N1 1.580(4) . ?
P1 N2 1.571(4) . ?
P2 O5 1.590(3) . ?
P2 O6 1.586(3) . ?
P2 N2 1.564(4) . ?
P2 N3 1.583(4) . ?
P3 O3 1.579(4) . ?
P3 O4 1.576(4) . ?
P3 N1 1.561(4) . ?
P3 N3 1.566(4) . ?
O1 C15 1.382(6) . ?
O2 C36 1.404(6) . ?
O3 C22 1.392(7) . ?
O4 C8 1.402(6) . ?
O5 C29 1.392(5) . ?
O6 C1 1.399(5) . ?
O7 C14 1.216(8) . ?
O8 C14 1.256(7) . ?
O9 C7 1.277(6) . ?
O10 C7 1.214(6) . ?
O11 C46 1.283(4) . ?
O12 C46 1.231(4) . ?
O13 C21 1.269(7) . ?
O14 C21 1.247(7) . ?
O15 C28 1.228(8) . ?
O16 C28 1.232(8) . ?
O17 C35 1.283(7) . ?
O18 C35 1.229(7) . ?
N00K C70 1.357(7) . ?
N00K C72 1.330(7) . ?
N00R C73 1.332(7) . ?
N00R C77 1.323(7) . ?
N4 C93 1.345(6) . ?
N4 C97 1.345(7) . ?
N5 C88 1.341(7) . ?
N5 C92 1.341(6) . ?
N6 C83 1.345(7) . ?
N6 C87 1.349(7) . ?
N7 C47 1.368(9) . ?
N7 C51 1.345(9) . ?
N8 C52 1.323(8) . ?
N8 C56 1.336(8) . ?
N9 C57 1.329(9) . ?
N9 C61 1.332(11) . ?
N10 C78 1.351(7) . ?
N10 C82 1.348(8) . ?
N11 C114 1.329(6) . ?
N11 C118 1.338(7) . ?
N12 C106 1.330(6) . ?
N12 C112 1.345(6) . ?
N13 C107 1.311(6) . ?
N13 C111 1.356(7) . ?
C1 C2 1.339(7) . ?
C1 C6 1.360(7) . ?
C2 H2 0.9300 . ?
C2 C3 1.394(7) . ?
C3 H3 0.9300 . ?
C3 C4 1.359(7) . ?
C4 C5 1.363(7) . ?
C4 C7 1.494(7) . ?
C5 H5 0.9300 . ?
C5 C6 1.382(7) . ?
C6 H6 0.9300 . ?
C8 C9 1.385(8) . ?
C8 C10 1.363(8) . ?
C9 H9 0.9300 . ?
C9 C13 1.370(8) . ?
C10 H10 0.9300 . ?
C10 C11 1.395(8) . ?
C11 H11 0.9300 . ?
C11 C12 1.377(8) . ?
C12 C13 1.379(8) . ?
C12 C14 1.495(9) . ?
C13 H13 0.9300 . ?
C15 C16 1.344(8) . ?
C15 C20 1.352(7) . ?
C16 H16 0.9300 . ?
C16 C17 1.396(7) . ?
C17 H17 0.9300 . ?
C17 C18 1.347(8) . ?
C18 C19 1.369(8) . ?
C18 C21 1.483(7) . ?
C19 H19 0.9300 . ?
C19 C20 1.369(7) . ?
C20 H20 0.9300 . ?
C22 C23 1.335(8) . ?
C22 C26 1.338(9) . ?
C23 H23 0.9300 . ?
C23 C27 1.391(9) . ?
C24 C25 1.326(11) . ?
C24 C27 1.330(12) . ?
C24 C28 1.496(8) . ?
C25 H25 0.9300 . ?
C25 C26 1.412(9) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C29 C30 1.352(7) . ?
C29 C34 1.374(7) . ?
C30 H30 0.9300 . ?
C30 C31 1.394(7) . ?
C31 H31 0.9300 . ?
C31 C32 1.379(7) . ?
C32 C33 1.362(7) . ?
C32 C35 1.521(7) . ?
C33 H33 0.9300 . ?
C33 C34 1.391(6) . ?
C34 H34 0.9300 . ?
C36 C37 1.380(9) . ?
C36 C41 1.332(10) . ?
C36 C43 1.414(14) . ?
C36 C44 1.307(16) . ?
C37 H37 0.9300 . ?
C37 C38 1.355(10) . ?
C38 H38 0.9300 . ?
C38 C39 1.454(10) . ?
C39 C40 1.284(11) . ?
C39 C42 1.468(15) . ?
C39 C45 1.301(16) . ?
C39 C46 1.503(7) . ?
C40 H40 0.9300 . ?
C40 C41 1.409(10) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
C42 C43 1.362(16) . ?
C43 H43 0.9300 . ?
C44 H44 0.9300 . ?
C44 C45 1.412(16) . ?
C45 H45 0.9300 . ?
C47 H47 0.9300 . ?
C47 C48 1.329(12) . ?
C48 H48 0.9300 . ?
C48 C49 1.357(12) . ?
C49 H49 0.9300 . ?
C49 C50 1.414(9) . ?
C50 H50 0.9300 . ?
C50 C51 1.372(10) . ?
C51 C52 1.486(9) . ?
C52 C53 1.394(8) . ?
C53 H53 0.9300 . ?
C53 C54 1.372(7) . ?
C54 C55 1.380(8) . ?
C54 C62 1.463(7) . ?
C55 H55 0.9300 . ?
C55 C56 1.414(8) . ?
C56 C57 1.468(9) . ?
C57 C58 1.337(10) . ?
C58 H58 0.9300 . ?
C58 C59 1.365(10) . ?
C59 H59 0.9300 . ?
C59 C60 1.352(13) . ?
C60 H60 0.9300 . ?
C60 C61 1.305(14) . ?
C61 H61 0.9300 . ?
C62 C63 1.389(8) . ?
C62 C67 1.395(7) . ?
C63 H63 0.9300 . ?
C63 C64 1.371(7) . ?
C64 H64 0.9300 . ?
C64 C65 1.388(7) . ?
C65 C66 1.401(8) . ?
C65 C68 1.459(7) . ?
C66 H66 0.9300 . ?
C66 C67 1.378(7) . ?
C67 H67 0.9300 . ?
C68 C69 1.395(7) . ?
C68 C71 1.378(7) . ?
C69 H69 0.9300 . ?
C69 C70 1.380(7) . ?
C70 C78 1.488(8) . ?
C71 H71 0.9300 . ?
C71 C72 1.396(7) . ?
C72 C73 1.468(7) . ?
C73 C74 1.360(8) . ?
C74 H74 0.9300 . ?
C74 C75 1.369(8) . ?
C75 H75 0.9300 . ?
C75 C76 1.338(9) . ?
C76 H76 0.9300 . ?
C76 C77 1.378(9) . ?
C77 H77 0.9300 . ?
C78 C79 1.378(7) . ?
C79 H79 0.9300 . ?
C79 C80 1.383(8) . ?
C80 H80 0.9300 . ?
C80 C81 1.373(9) . ?
C81 H81 0.9300 . ?
C81 C82 1.352(8) . ?
C82 H82 0.9300 . ?
C83 H83 0.9300 . ?
C83 C84 1.342(10) . ?
C84 H84 0.9300 . ?
C84 C85 1.357(10) . ?
C85 H85 0.9300 . ?
C85 C86 1.414(9) . ?
C86 H86 0.9300 . ?
C86 C87 1.369(8) . ?
C87 C88 1.499(8) . ?
C88 C89 1.377(7) . ?
C89 H89 0.9300 . ?
C89 C90 1.384(7) . ?
C90 C91 1.401(8) . ?
C90 C98 1.470(7) . ?
C91 H91 0.9300 . ?
C91 C92 1.378(7) . ?
C92 C93 1.498(8) . ?
C93 C94 1.360(8) . ?
C94 H94 0.9300 . ?
C94 C95 1.364(8) . ?
C95 H95 0.9300 . ?
C95 C96 1.354(8) . ?
C96 H96 0.9300 . ?
C96 C97 1.363(9) . ?
C97 H97 0.9300 . ?
C98 C99 1.391(8) . ?
C98 C103 1.383(7) . ?
C99 H99 0.9300 . ?
C99 C100 1.376(7) . ?
C100 H100 0.9300 . ?
C100 C101 1.384(7) . ?
C101 C102 1.378(7) . ?
C101 C104 1.473(7) . ?
C102 H102 0.9300 . ?
C102 C103 1.386(7) . ?
C103 H103 0.9300 . ?
C104 C105 1.392(7) . ?
C104 C113 1.388(7) . ?
C105 H105 0.9300 . ?
C105 C106 1.383(7) . ?
C106 C107 1.473(7) . ?
C107 C108 1.381(8) . ?
C108 H108 0.9300 . ?
C108 C109 1.376(8) . ?
C109 H109 0.9300 . ?
C109 C110 1.335(9) . ?
C110 H110 0.9300 . ?
C110 C111 1.357(9) . ?
C111 H111 0.9300 . ?
C112 C113 1.383(7) . ?
C112 C114 1.463(7) . ?
C113 H113 0.9300 . ?
C114 C115 1.363(7) . ?
C115 H115 0.9300 . ?
C115 C116 1.365(9) . ?
C116 H116 0.9300 . ?
C116 C117 1.366(9) . ?
C117 H117 0.9300 . ?
C117 C118 1.365(9) . ?
C118 H118 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O7 Zn1 O15 133.0(2) . 2_756 ?
O7 Zn1 O16 82.9(3) . 2_756 ?
O7 Zn1 N7 88.2(2) . . ?
O7 Zn1 N8 124.5(2) . . ?
O7 Zn1 N9 109.2(2) . . ?
O7 Zn1 C28 107.1(3) . 2_756 ?
O15 Zn1 C28 27.86(18) 2_756 2_756 ?
O16 Zn1 O15 55.7(2) 2_756 2_756 ?
O16 Zn1 N7 111.3(4) 2_756 . ?
O16 Zn1 C28 28.2(2) 2_756 2_756 ?
N7 Zn1 O15 87.6(2) . 2_756 ?
N7 Zn1 C28 97.2(3) . 2_756 ?
N8 Zn1 O15 99.2(2) . 2_756 ?
N8 Zn1 O16 152.5(3) . 2_756 ?
N8 Zn1 N7 74.8(2) . . ?
N8 Zn1 N9 75.5(3) . . ?
N8 Zn1 C28 126.9(3) . 2_756 ?
N9 Zn1 O15 96.7(2) . 2_756 ?
N9 Zn1 O16 94.9(4) . 2_756 ?
N9 Zn1 N7 150.3(2) . . ?
N9 Zn1 C28 100.1(3) . 2_756 ?
O8 Zn2 N00K 148.31(19) . 2_765 ?
O8 Zn2 N00R 103.28(19) . 2_765 ?
O8 Zn2 N10 94.3(2) . 2_765 ?
O9 Zn2 O8 101.71(18) . . ?
O9 Zn2 N00K 109.85(17) . 2_765 ?
O9 Zn2 N00R 90.78(17) . 2_765 ?
O9 Zn2 N10 113.44(17) . 2_765 ?
N00K Zn2 N00R 74.08(19) 2_765 2_765 ?
N00K Zn2 N10 76.1(2) 2_765 2_765 ?
N10 Zn2 N00R 146.57(19) 2_765 2_765 ?
O13 Zn3 N4 95.16(19) . . ?
O13 Zn3 N5 110.98(16) . . ?
O13 Zn3 N6 92.4(2) . . ?
O17 Zn3 O13 107.79(17) . . ?
O17 Zn3 N4 99.50(18) . . ?
O17 Zn3 N5 141.22(17) . . ?
O17 Zn3 N6 102.92(19) . . ?
N4 Zn3 N6 152.83(18) . . ?
N5 Zn3 N4 76.3(2) . . ?
N5 Zn3 N6 76.57(19) . . ?
O12 Zn4 N11 91.70(19) . 1_654 ?
O12 Zn4 N12 112.93(16) . 1_654 ?
O12 Zn4 N13 108.70(18) . 1_654 ?
O14 Zn4 O12 104.25(17) 2_656 . ?
O14 Zn4 N11 103.60(18) 2_656 1_654 ?
O14 Zn4 N12 142.78(17) 2_656 1_654 ?
O14 Zn4 N13 95.37(17) 2_656 1_654 ?
N12 Zn4 N11 74.44(18) 1_654 1_654 ?
N12 Zn4 N13 74.73(17) 1_654 1_654 ?
N13 Zn4 N11 147.81(17) 1_654 1_654 ?
O1 P1 O2 98.3(2) . . ?
O1 P1 N1 110.9(2) . . ?
N1 P1 O2 111.6(2) . . ?
N2 P1 O1 111.3(2) . . ?
N2 P1 O2 106.3(2) . . ?
N2 P1 N1 116.7(2) . . ?
O6 P2 O5 94.28(17) . . ?
N2 P2 O5 110.7(2) . . ?
N2 P2 O6 112.2(2) . . ?
N2 P2 N3 117.3(2) . . ?
N3 P2 O5 110.8(2) . . ?
N3 P2 O6 109.4(2) . . ?
O4 P3 O3 99.9(2) . . ?
N1 P3 O3 112.4(2) . . ?
N1 P3 O4 109.4(2) . . ?
N1 P3 N3 118.3(2) . . ?
N3 P3 O3 104.4(2) . . ?
N3 P3 O4 110.8(2) . . ?
C15 O1 P1 128.3(3) . . ?
C36 O2 P1 122.3(3) . . ?
C22 O3 P3 128.4(4) . . ?
C8 O4 P3 119.6(3) . . ?
C29 O5 P2 121.1(3) . . ?
C1 O6 P2 121.1(3) . . ?
C14 O7 Zn1 137.6(6) . . ?
C14 O8 Zn2 132.7(5) . . ?
C7 O9 Zn2 122.9(4) . . ?
C46 O12 Zn4 126.0(4) . . ?
C21 O13 Zn3 137.1(4) . . ?
C21 O14 Zn4 124.6(4) . 2_656 ?
C28 O15 Zn1 80.9(5) . 2_756 ?
C28 O16 Zn1 95.6(6) . 2_756 ?
C35 O17 Zn3 122.4(4) . . ?
C70 N00K Zn2 118.1(4) . 2_765 ?
C72 N00K Zn2 119.6(4) . 2_765 ?
C72 N00K C70 120.4(5) . . ?
C73 N00R Zn2 114.2(4) . 2_765 ?
C77 N00R Zn2 127.3(5) . 2_765 ?
C77 N00R C73 117.8(6) . . ?
P3 N1 P1 122.1(3) . . ?
P2 N2 P1 123.0(3) . . ?
P3 N3 P2 121.0(3) . . ?
C93 N4 Zn3 116.1(4) . . ?
C93 N4 C97 116.6(6) . . ?
C97 N4 Zn3 127.1(4) . . ?
C88 N5 Zn3 120.1(4) . . ?
C88 N5 C92 120.3(5) . . ?
C92 N5 Zn3 119.6(4) . . ?
C83 N6 Zn3 128.6(5) . . ?
C83 N6 C87 116.2(6) . . ?
C87 N6 Zn3 115.1(4) . . ?
C47 N7 Zn1 127.1(6) . . ?
C51 N7 Zn1 115.9(5) . . ?
C51 N7 C47 116.9(8) . . ?
C52 N8 Zn1 120.9(5) . . ?
C52 N8 C56 120.7(6) . . ?
C56 N8 Zn1 118.4(5) . . ?
C57 N9 Zn1 117.0(6) . . ?
C57 N9 C61 118.4(9) . . ?
C61 N9 Zn1 124.2(7) . . ?
C78 N10 Zn2 116.9(4) . 2_765 ?
C82 N10 Zn2 126.1(4) . 2_765 ?
C82 N10 C78 116.9(6) . . ?
C114 N11 Zn4 116.5(4) . 1_456 ?
C114 N11 C118 117.9(5) . . ?
C118 N11 Zn4 125.5(4) . 1_456 ?
C106 N12 Zn4 118.3(4) . 1_456 ?
C106 N12 C112 120.9(5) . . ?
C112 N12 Zn4 119.0(4) . 1_456 ?
C107 N13 Zn4 115.8(4) . 1_456 ?
C107 N13 C111 117.1(6) . . ?
C111 N13 Zn4 126.9(4) . 1_456 ?
C2 C1 O6 121.3(5) . . ?
C2 C1 C6 121.1(5) . . ?
C6 C1 O6 117.5(5) . . ?
C1 C2 H2 120.6 . . ?
C1 C2 C3 118.8(5) . . ?
C3 C2 H2 120.6 . . ?
C2 C3 H3 119.3 . . ?
C4 C3 C2 121.4(5) . . ?
C4 C3 H3 119.3 . . ?
C3 C4 C5 118.3(5) . . ?
C3 C4 C7 120.4(5) . . ?
C5 C4 C7 121.1(5) . . ?
C4 C5 H5 119.6 . . ?
C4 C5 C6 120.8(5) . . ?
C6 C5 H5 119.6 . . ?
C1 C6 C5 119.5(5) . . ?
C1 C6 H6 120.3 . . ?
C5 C6 H6 120.3 . . ?
O9 C7 C4 115.2(5) . . ?
O10 C7 O9 125.1(5) . . ?
O10 C7 C4 119.7(6) . . ?
C9 C8 O4 120.4(6) . . ?
C10 C8 O4 118.6(6) . . ?
C10 C8 C9 120.8(6) . . ?
C8 C9 H9 120.4 . . ?
C13 C9 C8 119.2(6) . . ?
C13 C9 H9 120.4 . . ?
C8 C10 H10 120.6 . . ?
C8 C10 C11 118.8(6) . . ?
C11 C10 H10 120.6 . . ?
C10 C11 H11 119.4 . . ?
C12 C11 C10 121.3(6) . . ?
C12 C11 H11 119.4 . . ?
C11 C12 C13 118.2(6) . . ?
C11 C12 C14 119.4(6) . . ?
C13 C12 C14 122.3(6) . . ?
C9 C13 C12 121.6(6) . . ?
C9 C13 H13 119.2 . . ?
C12 C13 H13 119.2 . . ?
O7 C14 O8 125.3(7) . . ?
O7 C14 C12 117.7(7) . . ?
O8 C14 C12 116.9(7) . . ?
C16 C15 O1 121.5(6) . . ?
C16 C15 C20 121.0(5) . . ?
C20 C15 O1 117.3(5) . . ?
C15 C16 H16 120.6 . . ?
C15 C16 C17 118.8(6) . . ?
C17 C16 H16 120.6 . . ?
C16 C17 H17 119.5 . . ?
C18 C17 C16 121.1(6) . . ?
C18 C17 H17 119.5 . . ?
C17 C18 C19 118.6(5) . . ?
C17 C18 C21 120.4(6) . . ?
C19 C18 C21 120.8(6) . . ?
C18 C19 H19 119.6 . . ?
C18 C19 C20 120.7(6) . . ?
C20 C19 H19 119.6 . . ?
C15 C20 C19 119.7(6) . . ?
C15 C20 H20 120.1 . . ?
C19 C20 H20 120.1 . . ?
O13 C21 C18 119.2(6) . . ?
O14 C21 O13 121.8(5) . . ?
O14 C21 C18 119.0(5) . . ?
C23 C22 O3 115.2(6) . . ?
C23 C22 C26 121.1(6) . . ?
C26 C22 O3 123.6(6) . . ?
C22 C23 H23 120.5 . . ?
C22 C23 C27 118.9(8) . . ?
C27 C23 H23 120.5 . . ?
C25 C24 C27 116.3(7) . . ?
C25 C24 C28 120.3(9) . . ?
C27 C24 C28 123.2(9) . . ?
C24 C25 H25 118.1 . . ?
C24 C25 C26 123.8(8) . . ?
C26 C25 H25 118.1 . . ?
C22 C26 C25 117.0(7) . . ?
C22 C26 H26 121.5 . . ?
C25 C26 H26 121.5 . . ?
C23 C27 H27 118.6 . . ?
C24 C27 C23 122.8(8) . . ?
C24 C27 H27 118.6 . . ?
O15 C28 Zn1 71.2(5) . 2_756 ?
O15 C28 O16 125.9(8) . . ?
O15 C28 C24 118.3(9) . . ?
O16 C28 Zn1 56.2(5) . 2_756 ?
O16 C28 C24 115.8(9) . . ?
C24 C28 Zn1 165.6(8) . 2_756 ?
C30 C29 O5 119.2(5) . . ?
C30 C29 C34 122.0(5) . . ?
C34 C29 O5 118.7(5) . . ?
C29 C30 H30 120.9 . . ?
C29 C30 C31 118.2(5) . . ?
C31 C30 H30 120.9 . . ?
C30 C31 H31 119.4 . . ?
C32 C31 C30 121.2(5) . . ?
C32 C31 H31 119.4 . . ?
C31 C32 C35 120.1(6) . . ?
C33 C32 C31 119.1(5) . . ?
C33 C32 C35 120.8(6) . . ?
C32 C33 H33 119.8 . . ?
C32 C33 C34 120.5(5) . . ?
C34 C33 H33 119.8 . . ?
C29 C34 C33 118.9(5) . . ?
C29 C34 H34 120.5 . . ?
C33 C34 H34 120.5 . . ?
O17 C35 C32 113.7(6) . . ?
O18 C35 O17 126.1(6) . . ?
O18 C35 C32 120.2(6) . . ?
O2 C36 C43 114.2(8) . . ?
C37 C36 O2 115.4(6) . . ?
C41 C36 O2 123.3(7) . . ?
C41 C36 C37 119.9(7) . . ?
C44 C36 O2 123.0(11) . . ?
C44 C36 C43 121.6(13) . . ?
C36 C37 H37 119.9 . . ?
C38 C37 C36 120.3(8) . . ?
C38 C37 H37 119.9 . . ?
C37 C38 H38 121.0 . . ?
C37 C38 C39 118.0(8) . . ?
C39 C38 H38 121.0 . . ?
C38 C39 C46 112.6(7) . . ?
C40 C39 C38 115.8(9) . . ?
C40 C39 C46 122.9(8) . . ?
C42 C39 C46 127.4(8) . . ?
C45 C39 C42 110.8(17) . . ?
C45 C39 C46 120.3(13) . . ?
C39 C40 H40 118.2 . . ?
C39 C40 C41 123.5(11) . . ?
C41 C40 H40 118.2 . . ?
C36 C41 C40 117.7(10) . . ?
C36 C41 H41 121.2 . . ?
C40 C41 H41 121.2 . . ?
C39 C42 H42 120.0 . . ?
C43 C42 C39 120.1(14) . . ?
C43 C42 H42 120.0 . . ?
C36 C43 H43 122.0 . . ?
C42 C43 C36 116.1(14) . . ?
C42 C43 H43 122.0 . . ?
C36 C44 H44 121.0 . . ?
C36 C44 C45 118.1(19) . . ?
C45 C44 H44 121.0 . . ?
C39 C45 C44 122.1(19) . . ?
C39 C45 H45 119.0 . . ?
C44 C45 H45 119.0 . . ?
O11 C46 C39 126.8(6) . . ?
O12 C46 O11 119.8(6) . . ?
O12 C46 C39 113.3(6) . . ?
N7 C47 H47 118.0 . . ?
C48 C47 N7 124.0(10) . . ?
C48 C47 H47 118.0 . . ?
C47 C48 H48 119.7 . . ?
C47 C48 C49 120.5(9) . . ?
C49 C48 H48 119.7 . . ?
C48 C49 H49 121.5 . . ?
C48 C49 C50 117.1(10) . . ?
C50 C49 H49 121.5 . . ?
C49 C50 H50 119.9 . . ?
C51 C50 C49 120.1(8) . . ?
C51 C50 H50 119.9 . . ?
N7 C51 C50 121.3(7) . . ?
N7 C51 C52 113.9(8) . . ?
C50 C51 C52 124.7(8) . . ?
N8 C52 C51 114.3(7) . . ?
N8 C52 C53 121.8(6) . . ?
C53 C52 C51 123.9(7) . . ?
C52 C53 H53 120.4 . . ?
C54 C53 C52 119.2(6) . . ?
C54 C53 H53 120.4 . . ?
C53 C54 C55 118.7(6) . . ?
C53 C54 C62 121.3(6) . . ?
C55 C54 C62 119.9(5) . . ?
C54 C55 H55 120.2 . . ?
C54 C55 C56 119.7(6) . . ?
C56 C55 H55 120.2 . . ?
N8 C56 C55 119.8(6) . . ?
N8 C56 C57 115.7(7) . . ?
C55 C56 C57 124.5(7) . . ?
N9 C57 C56 113.3(8) . . ?
N9 C57 C58 121.7(8) . . ?
C58 C57 C56 124.9(8) . . ?
C57 C58 H58 120.3 . . ?
C57 C58 C59 119.4(10) . . ?
C59 C58 H58 120.3 . . ?
C58 C59 H59 121.2 . . ?
C60 C59 C58 117.6(11) . . ?
C60 C59 H59 121.2 . . ?
C59 C60 H60 119.3 . . ?
C61 C60 C59 121.4(12) . . ?
C61 C60 H60 119.3 . . ?
N9 C61 H61 119.2 . . ?
C60 C61 N9 121.5(12) . . ?
C60 C61 H61 119.2 . . ?
C63 C62 C54 121.2(5) . . ?
C63 C62 C67 116.8(5) . . ?
C67 C62 C54 122.0(6) . . ?
C62 C63 H63 119.4 . . ?
C64 C63 C62 121.2(6) . . ?
C64 C63 H63 119.4 . . ?
C63 C64 H64 118.6 . . ?
C63 C64 C65 122.8(6) . . ?
C65 C64 H64 118.6 . . ?
C64 C65 C66 115.8(5) . . ?
C64 C65 C68 123.2(6) . . ?
C66 C65 C68 121.0(5) . . ?
C65 C66 H66 119.2 . . ?
C67 C66 C65 121.7(5) . . ?
C67 C66 H66 119.2 . . ?
C62 C67 H67 119.2 . . ?
C66 C67 C62 121.6(6) . . ?
C66 C67 H67 119.2 . . ?
C69 C68 C65 119.4(5) . . ?
C71 C68 C65 121.6(6) . . ?
C71 C68 C69 119.0(5) . . ?
C68 C69 H69 120.8 . . ?
C70 C69 C68 118.4(5) . . ?
C70 C69 H69 120.8 . . ?
N00K C70 C69 121.7(6) . . ?
N00K C70 C78 113.5(5) . . ?
C69 C70 C78 124.7(6) . . ?
C68 C71 H71 119.9 . . ?
C68 C71 C72 120.2(6) . . ?
C72 C71 H71 119.9 . . ?
N00K C72 C71 120.2(5) . . ?
N00K C72 C73 113.8(5) . . ?
C71 C72 C73 125.9(6) . . ?
N00R C73 C72 115.0(6) . . ?
N00R C73 C74 122.0(6) . . ?
C74 C73 C72 123.1(6) . . ?
C73 C74 H74 120.5 . . ?
C73 C74 C75 119.1(7) . . ?
C75 C74 H74 120.5 . . ?
C74 C75 H75 120.0 . . ?
C76 C75 C74 120.0(7) . . ?
C76 C75 H75 120.0 . . ?
C75 C76 H76 121.0 . . ?
C75 C76 C77 118.0(7) . . ?
C77 C76 H76 121.0 . . ?
N00R C77 C76 123.2(7) . . ?
N00R C77 H77 118.4 . . ?
C76 C77 H77 118.4 . . ?
N10 C78 C70 113.3(5) . . ?
N10 C78 C79 122.8(6) . . ?
C79 C78 C70 123.8(6) . . ?
C78 C79 H79 121.1 . . ?
C78 C79 C80 117.7(6) . . ?
C80 C79 H79 121.1 . . ?
C79 C80 H80 119.8 . . ?
C81 C80 C79 120.4(7) . . ?
C81 C80 H80 119.8 . . ?
C80 C81 H81 121.0 . . ?
C82 C81 C80 118.1(7) . . ?
C82 C81 H81 121.0 . . ?
N10 C82 C81 124.0(7) . . ?
N10 C82 H82 118.0 . . ?
C81 C82 H82 118.0 . . ?
N6 C83 H83 117.6 . . ?
C84 C83 N6 124.7(8) . . ?
C84 C83 H83 117.6 . . ?
C83 C84 H84 120.4 . . ?
C83 C84 C85 119.2(7) . . ?
C85 C84 H84 120.4 . . ?
C84 C85 H85 120.6 . . ?
C84 C85 C86 118.8(8) . . ?
C86 C85 H85 120.6 . . ?
C85 C86 H86 121.1 . . ?
C87 C86 C85 117.9(7) . . ?
C87 C86 H86 121.1 . . ?
N6 C87 C86 123.1(6) . . ?
N6 C87 C88 114.8(6) . . ?
C86 C87 C88 122.0(6) . . ?
N5 C88 C87 113.3(5) . . ?
N5 C88 C89 121.8(5) . . ?
C89 C88 C87 124.9(6) . . ?
C88 C89 H89 120.4 . . ?
C88 C89 C90 119.3(6) . . ?
C90 C89 H89 120.4 . . ?
C89 C90 C91 118.0(5) . . ?
C89 C90 C98 121.1(6) . . ?
C91 C90 C98 120.9(5) . . ?
C90 C91 H91 119.9 . . ?
C92 C91 C90 120.2(5) . . ?
C92 C91 H91 119.9 . . ?
N5 C92 C91 120.4(6) . . ?
N5 C92 C93 114.3(5) . . ?
C91 C92 C93 125.2(5) . . ?
N4 C93 C92 113.5(5) . . ?
N4 C93 C94 122.0(6) . . ?
C94 C93 C92 124.4(5) . . ?
C93 C94 H94 120.0 . . ?
C93 C94 C95 120.0(6) . . ?
C95 C94 H94 120.0 . . ?
C94 C95 H95 120.4 . . ?
C96 C95 C94 119.1(7) . . ?
C96 C95 H95 120.4 . . ?
C95 C96 H96 120.7 . . ?
C95 C96 C97 118.5(7) . . ?
C97 C96 H96 120.7 . . ?
N4 C97 C96 123.7(6) . . ?
N4 C97 H97 118.2 . . ?
C96 C97 H97 118.2 . . ?
C99 C98 C90 120.4(5) . . ?
C103 C98 C90 122.1(6) . . ?
C103 C98 C99 117.4(5) . . ?
C98 C99 H99 119.6 . . ?
C100 C99 C98 120.9(6) . . ?
C100 C99 H99 119.6 . . ?
C99 C100 H100 119.0 . . ?
C99 C100 C101 122.0(6) . . ?
C101 C100 H100 119.0 . . ?
C100 C101 C104 120.8(5) . . ?
C102 C101 C100 116.9(5) . . ?
C102 C101 C104 122.3(5) . . ?
C101 C102 H102 119.2 . . ?
C101 C102 C103 121.7(5) . . ?
C103 C102 H102 119.2 . . ?
C98 C103 C102 121.1(6) . . ?
C98 C103 H103 119.5 . . ?
C102 C103 H103 119.5 . . ?
C105 C104 C101 121.0(5) . . ?
C113 C104 C101 122.1(5) . . ?
C113 C104 C105 116.8(5) . . ?
C104 C105 H105 119.5 . . ?
C106 C105 C104 121.1(6) . . ?
C106 C105 H105 119.5 . . ?
N12 C106 C105 120.2(5) . . ?
N12 C106 C107 113.3(5) . . ?
C105 C106 C107 126.5(6) . . ?
N13 C107 C106 115.4(6) . . ?
N13 C107 C108 121.5(5) . . ?
C108 C107 C106 123.0(5) . . ?
C107 C108 H108 120.1 . . ?
C109 C108 C107 119.8(6) . . ?
C109 C108 H108 120.1 . . ?
C108 C109 H109 120.5 . . ?
C110 C109 C108 119.1(7) . . ?
C110 C109 H109 120.5 . . ?
C109 C110 H110 120.8 . . ?
C109 C110 C111 118.5(7) . . ?
C111 C110 H110 120.8 . . ?
N13 C111 C110 124.0(6) . . ?
N13 C111 H111 118.0 . . ?
C110 C111 H111 118.0 . . ?
N12 C112 C113 120.5(5) . . ?
N12 C112 C114 114.4(5) . . ?
C113 C112 C114 124.9(5) . . ?
C104 C113 H113 119.8 . . ?
C112 C113 C104 120.4(5) . . ?
C112 C113 H113 119.8 . . ?
N11 C114 C112 114.3(5) . . ?
N11 C114 C115 122.6(6) . . ?
C115 C114 C112 123.0(5) . . ?
C114 C115 H115 120.8 . . ?
C114 C115 C116 118.3(6) . . ?
C116 C115 H115 120.8 . . ?
C115 C116 H116 119.8 . . ?
C115 C116 C117 120.4(7) . . ?
C117 C116 H116 119.8 . . ?
C116 C117 H117 121.2 . . ?
C118 C117 C116 117.7(7) . . ?
C118 C117 H117 121.2 . . ?
N11 C118 C117 123.0(6) . . ?
N11 C118 H118 118.5 . . ?
C117 C118 H118 118.5 . . ?

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 O7 C14 O8 16.2(13) . . . . ?
Zn1 O7 C14 C12 -162.6(5) . . . . ?
Zn1 O15 C28 O16 13.7(15) 2_756 . . . ?
Zn1 O15 C28 C24 -168.2(10) 2_756 . . . ?
Zn1 O16 C28 O15 -15.7(17) 2_756 . . . ?
Zn1 O16 C28 C24 166.2(8) 2_756 . . . ?
Zn1 N7 C47 C48 174.2(7) . . . . ?
Zn1 N7 C51 C50 -177.0(5) . . . . ?
Zn1 N7 C51 C52 5.3(7) . . . . ?
Zn1 N8 C52 C51 2.5(7) . . . . ?
Zn1 N8 C52 C53 -179.9(4) . . . . ?
Zn1 N8 C56 C55 178.5(4) . . . . ?
Zn1 N8 C56 C57 -0.9(7) . . . . ?
Zn1 N9 C57 C56 4.4(7) . . . . ?
Zn1 N9 C57 C58 -172.7(6) . . . . ?
Zn1 N9 C61 C60 171.8(8) . . . . ?
Zn2 O8 C14 O7 63.5(11) . . . . ?
Zn2 O8 C14 C12 -117.6(6) . . . . ?
Zn2 O9 C7 O10 49.5(8) . . . . ?
Zn2 O9 C7 C4 -130.8(4) . . . . ?
Zn2 N00K C70 C69 163.2(4) 2_765 . . . ?
Zn2 N00K C70 C78 -15.8(6) 2_765 . . . ?
Zn2 N00K C72 C71 -162.8(4) 2_765 . . . ?
Zn2 N00K C72 C73 18.6(6) 2_765 . . . ?
Zn2 N00R C73 C72 -7.5(6) 2_765 . . . ?
Zn2 N00R C73 C74 171.1(4) 2_765 . . . ?
Zn2 N00R C77 C76 -169.5(5) 2_765 . . . ?
Zn2 N10 C78 C70 3.4(6) 2_765 . . . ?
Zn2 N10 C78 C79 -179.6(4) 2_765 . . . ?
Zn2 N10 C82 C81 177.3(5) 2_765 . . . ?
Zn3 O13 C21 O14 111.1(6) . . . . ?
Zn3 O13 C21 C18 -71.0(9) . . . . ?
Zn3 O17 C35 O18 -37.9(8) . . . . ?
Zn3 O17 C35 C32 143.6(4) . . . . ?
Zn3 N4 C93 C92 4.7(6) . . . . ?
Zn3 N4 C93 C94 -174.0(4) . . . . ?
Zn3 N4 C97 C96 172.6(5) . . . . ?
Zn3 N5 C88 C87 0.9(6) . . . . ?
Zn3 N5 C88 C89 -176.9(4) . . . . ?
Zn3 N5 C92 C91 177.6(4) . . . . ?
Zn3 N5 C92 C93 1.2(6) . . . . ?
Zn3 N6 C83 C84 176.2(6) . . . . ?
Zn3 N6 C87 C86 -175.6(5) . . . . ?
Zn3 N6 C87 C88 3.7(6) . . . . ?
Zn4 O12 C46 O11 -0.9(5) . . . . ?
Zn4 O12 C46 C39 179.7(4) . . . . ?
Zn4 O14 C21 O13 7.3(9) 2_656 . . . ?
Zn4 O14 C21 C18 -170.6(4) 2_656 . . . ?
Zn4 N11 C114 C112 0.1(6) 1_456 . . . ?
Zn4 N11 C114 C115 179.5(5) 1_456 . . . ?
Zn4 N11 C118 C117 -179.8(6) 1_456 . . . ?
Zn4 N12 C106 C105 163.0(4) 1_456 . . . ?
Zn4 N12 C106 C107 -15.6(6) 1_456 . . . ?
Zn4 N12 C112 C113 -163.1(4) 1_456 . . . ?
Zn4 N12 C112 C114 13.2(6) 1_456 . . . ?
Zn4 N13 C107 C106 6.5(6) 1_456 . . . ?
Zn4 N13 C107 C108 -175.0(4) 1_456 . . . ?
Zn4 N13 C111 C110 176.1(5) 1_456 . . . ?
P1 O1 C15 C16 -67.6(7) . . . . ?
P1 O1 C15 C20 118.3(5) . . . . ?
P1 O2 C36 C37 135.2(6) . . . . ?
P1 O2 C36 C41 -58.2(9) . . . . ?
P1 O2 C36 C43 84.6(12) . . . . ?
P1 O2 C36 C44 -82.9(18) . . . . ?
P2 O5 C29 C30 96.0(5) . . . . ?
P2 O5 C29 C34 -86.9(5) . . . . ?
P2 O6 C1 C2 63.8(6) . . . . ?
P2 O6 C1 C6 -118.3(5) . . . . ?
P3 O3 C22 C23 -175.3(5) . . . . ?
P3 O3 C22 C26 8.7(9) . . . . ?
P3 O4 C8 C9 90.0(6) . . . . ?
P3 O4 C8 C10 -94.3(6) . . . . ?
O1 P1 O2 C36 -43.0(5) . . . . ?
O1 P1 N1 P3 -131.1(3) . . . . ?
O1 P1 N2 P2 136.3(3) . . . . ?
O1 C15 C16 C17 -172.3(5) . . . . ?
O1 C15 C20 C19 173.6(5) . . . . ?
O2 P1 O1 C15 159.9(5) . . . . ?
O2 P1 N1 P3 120.4(3) . . . . ?
O2 P1 N2 P2 -117.7(3) . . . . ?
O2 C36 C37 C38 176.3(8) . . . . ?
O2 C36 C41 C40 -178.8(12) . . . . ?
O2 C36 C43 C42 -174.2(15) . . . . ?
O2 C36 C44 C45 173(2) . . . . ?
O3 P3 O4 C8 166.7(4) . . . . ?
O3 P3 N1 P1 113.1(3) . . . . ?
O3 P3 N3 P2 -110.9(3) . . . . ?
O3 C22 C23 C27 -173.5(6) . . . . ?
O3 C22 C26 C25 173.4(6) . . . . ?
O4 P3 O3 C22 -67.0(5) . . . . ?
O4 P3 N1 P1 -136.8(3) . . . . ?
O4 P3 N3 P2 142.4(3) . . . . ?
O4 C8 C9 C13 179.4(5) . . . . ?
O4 C8 C10 C11 -179.2(5) . . . . ?
O5 P2 O6 C1 173.7(4) . . . . ?
O5 P2 N2 P1 -130.1(3) . . . . ?
O5 P2 N3 P3 118.4(3) . . . . ?
O5 C29 C30 C31 174.7(5) . . . . ?
O5 C29 C34 C33 -176.9(4) . . . . ?
O6 P2 O5 C29 170.4(4) . . . . ?
O6 P2 N2 P1 126.1(3) . . . . ?
O6 P2 N3 P3 -139.0(3) . . . . ?
O6 C1 C2 C3 177.9(5) . . . . ?
O6 C1 C6 C5 -176.1(5) . . . . ?
N00K C70 C78 N10 7.7(7) . . . . ?
N00K C70 C78 C79 -169.3(5) . . . . ?
N00K C72 C73 N00R -6.1(7) . . . . ?
N00K C72 C73 C74 175.3(5) . . . . ?
N00R C73 C74 C75 0.3(9) . . . . ?
N1 P1 O1 C15 42.8(5) . . . . ?
N1 P1 O2 C36 73.5(5) . . . . ?
N1 P1 N2 P2 7.6(4) . . . . ?
N1 P3 O3 C22 48.9(5) . . . . ?
N1 P3 O4 C8 48.5(4) . . . . ?
N1 P3 N3 P2 15.0(4) . . . . ?
N2 P1 O1 C15 -88.9(5) . . . . ?
N2 P1 O2 C36 -158.2(4) . . . . ?
N2 P1 N1 P3 -2.2(4) . . . . ?
N2 P2 O5 C29 54.8(4) . . . . ?
N2 P2 O6 C1 -72.0(4) . . . . ?
N2 P2 N3 P3 -9.9(4) . . . . ?
N3 P2 O5 C29 -77.0(4) . . . . ?
N3 P2 O6 C1 59.9(4) . . . . ?
N3 P2 N2 P1 -1.7(4) . . . . ?
N3 P3 O3 C22 178.3(5) . . . . ?
N3 P3 O4 C8 -83.6(4) . . . . ?
N3 P3 N1 P1 -8.8(4) . . . . ?
N4 C93 C94 C95 0.2(9) . . . . ?
N5 C88 C89 C90 -0.6(8) . . . . ?
N5 C92 C93 N4 -3.9(7) . . . . ?
N5 C92 C93 C94 174.8(5) . . . . ?
N6 C83 C84 C85 0.4(12) . . . . ?
N6 C87 C88 N5 -3.1(7) . . . . ?
N6 C87 C88 C89 174.7(5) . . . . ?
N7 C47 C48 C49 1.4(14) . . . . ?
N7 C51 C52 N8 -5.1(8) . . . . ?
N7 C51 C52 C53 177.3(5) . . . . ?
N8 C52 C53 C54 2.5(8) . . . . ?
N8 C56 C57 N9 -2.4(8) . . . . ?
N8 C56 C57 C58 174.7(7) . . . . ?
N9 C57 C58 C59 0.0(12) . . . . ?
N10 C78 C79 C80 1.9(9) . . . . ?
N11 C114 C115 C116 -0.5(10) . . . . ?
N12 C106 C107 N13 5.5(7) . . . . ?
N12 C106 C107 C108 -173.0(5) . . . . ?
N12 C112 C113 C104 0.7(8) . . . . ?
N12 C112 C114 N11 -8.3(7) . . . . ?
N12 C112 C114 C115 172.3(5) . . . . ?
N13 C107 C108 C109 -0.5(9) . . . . ?
C1 C2 C3 C4 -2.5(8) . . . . ?
C2 C1 C6 C5 1.8(9) . . . . ?
C2 C3 C4 C5 3.0(8) . . . . ?
C2 C3 C4 C7 176.9(5) . . . . ?
C3 C4 C5 C6 -1.1(9) . . . . ?
C3 C4 C7 O9 8.2(8) . . . . ?
C3 C4 C7 O10 -172.1(6) . . . . ?
C4 C5 C6 C1 -1.2(9) . . . . ?
C5 C4 C7 O9 -178.0(5) . . . . ?
C5 C4 C7 O10 1.7(9) . . . . ?
C6 C1 C2 C3 0.0(8) . . . . ?
C7 C4 C5 C6 -175.0(5) . . . . ?
C8 C9 C13 C12 -2.0(9) . . . . ?
C8 C10 C11 C12 1.6(10) . . . . ?
C9 C8 C10 C11 -3.6(9) . . . . ?
C10 C8 C9 C13 3.8(9) . . . . ?
C10 C11 C12 C13 0.1(10) . . . . ?
C10 C11 C12 C14 -176.3(6) . . . . ?
C11 C12 C13 C9 0.1(9) . . . . ?
C11 C12 C14 O7 -4.3(10) . . . . ?
C11 C12 C14 O8 176.7(6) . . . . ?
C13 C12 C14 O7 179.5(7) . . . . ?
C13 C12 C14 O8 0.5(10) . . . . ?
C14 C12 C13 C9 176.4(6) . . . . ?
C15 C16 C17 C18 -2.1(11) . . . . ?
C16 C15 C20 C19 -0.5(10) . . . . ?
C16 C17 C18 C19 1.6(10) . . . . ?
C16 C17 C18 C21 176.3(6) . . . . ?
C17 C18 C19 C20 -0.6(10) . . . . ?
C17 C18 C21 O13 170.9(6) . . . . ?
C17 C18 C21 O14 -11.2(10) . . . . ?
C18 C19 C20 C15 0.0(10) . . . . ?
C19 C18 C21 O13 -14.5(9) . . . . ?
C19 C18 C21 O14 163.5(6) . . . . ?
C20 C15 C16 C17 1.5(10) . . . . ?
C21 C18 C19 C20 -175.3(6) . . . . ?
C22 C23 C27 C24 -0.3(13) . . . . ?
C23 C22 C26 C25 -2.4(11) . . . . ?
C24 C25 C26 C22 -0.1(13) . . . . ?
C25 C24 C27 C23 -2.0(15) . . . . ?
C25 C24 C28 Zn1 32(4) . . . 2_756 ?
C25 C24 C28 O15 160.5(11) . . . . ?
C25 C24 C28 O16 -21.2(18) . . . . ?
C26 C22 C23 C27 2.6(11) . . . . ?
C27 C24 C25 C26 2.3(15) . . . . ?
C27 C24 C28 Zn1 -143(3) . . . 2_756 ?
C27 C24 C28 O15 -14.0(17) . . . . ?
C27 C24 C28 O16 164.2(12) . . . . ?
C28 C24 C25 C26 -172.7(9) . . . . ?
C28 C24 C27 C23 172.7(9) . . . . ?
C29 C30 C31 C32 2.1(9) . . . . ?
C30 C29 C34 C33 0.1(8) . . . . ?
C30 C31 C32 C33 0.3(8) . . . . ?
C30 C31 C32 C35 178.7(5) . . . . ?
C31 C32 C33 C34 -2.5(8) . . . . ?
C31 C32 C35 O17 -152.6(5) . . . . ?
C31 C32 C35 O18 28.8(8) . . . . ?
C32 C33 C34 C29 2.4(8) . . . . ?
C33 C32 C35 O17 25.9(8) . . . . ?
C33 C32 C35 O18 -152.8(6) . . . . ?
C34 C29 C30 C31 -2.2(8) . . . . ?
C35 C32 C33 C34 179.0(5) . . . . ?
C36 C37 C38 C39 8.8(14) . . . . ?
C36 C44 C45 C39 17(6) . . . . ?
C37 C36 C41 C40 -12.8(16) . . . . ?
C37 C38 C39 C40 -23.1(17) . . . . ?
C37 C38 C39 C46 -171.9(7) . . . . ?
C38 C39 C40 C41 20(3) . . . . ?
C38 C39 C46 O11 3.3(7) . . . . ?
C38 C39 C46 O12 -177.3(6) . . . . ?
C39 C40 C41 C36 -3(3) . . . . ?
C39 C42 C43 C36 -15(3) . . . . ?
C40 C39 C46 O11 -142.9(15) . . . . ?
C40 C39 C46 O12 36.5(15) . . . . ?
C41 C36 C37 C38 9.2(14) . . . . ?
C42 C39 C45 C44 -37(5) . . . . ?
C42 C39 C46 O11 64.9(13) . . . . ?
C42 C39 C46 O12 -115.7(13) . . . . ?
C43 C36 C44 C45 7(3) . . . . ?
C44 C36 C43 C42 -7(3) . . . . ?
C45 C39 C42 C43 36(3) . . . . ?
C45 C39 C46 O11 -130(3) . . . . ?
C45 C39 C46 O12 49(3) . . . . ?
C46 C39 C40 C41 165.6(13) . . . . ?
C46 C39 C42 C43 -157.5(15) . . . . ?
C46 C39 C45 C44 156(3) . . . . ?
C47 N7 C51 C50 -1.6(10) . . . . ?
C47 N7 C51 C52 -179.3(5) . . . . ?
C47 C48 C49 C50 -0.1(12) . . . . ?
C48 C49 C50 C51 -1.9(10) . . . . ?
C49 C50 C51 N7 2.9(10) . . . . ?
C49 C50 C51 C52 -179.7(6) . . . . ?
C50 C51 C52 N8 177.3(6) . . . . ?
C50 C51 C52 C53 -0.3(10) . . . . ?
C51 N7 C47 C48 -0.5(11) . . . . ?
C51 C52 C53 C54 179.9(5) . . . . ?
C52 N8 C56 C55 1.3(8) . . . . ?
C52 N8 C56 C57 -178.2(5) . . . . ?
C52 C53 C54 C55 -0.9(8) . . . . ?
C52 C53 C54 C62 -179.5(5) . . . . ?
C53 C54 C55 C56 -0.4(8) . . . . ?
C53 C54 C62 C63 30.3(8) . . . . ?
C53 C54 C62 C67 -149.4(6) . . . . ?
C54 C55 C56 N8 0.3(8) . . . . ?
C54 C55 C56 C57 179.7(5) . . . . ?
C54 C62 C63 C64 178.1(5) . . . . ?
C54 C62 C67 C66 -178.9(5) . . . . ?
C55 C54 C62 C63 -148.3(6) . . . . ?
C55 C54 C62 C67 32.0(8) . . . . ?
C55 C56 C57 N9 178.2(5) . . . . ?
C55 C56 C57 C58 -4.8(10) . . . . ?
C56 N8 C52 C51 179.7(5) . . . . ?
C56 N8 C52 C53 -2.7(9) . . . . ?
C56 C57 C58 C59 -176.8(6) . . . . ?
C57 N9 C61 C60 -0.7(13) . . . . ?
C57 C58 C59 C60 -0.1(13) . . . . ?
C58 C59 C60 C61 -0.3(16) . . . . ?
C59 C60 C61 N9 0.7(17) . . . . ?
C61 N9 C57 C56 177.5(6) . . . . ?
C61 N9 C57 C58 0.3(11) . . . . ?
C62 C54 C55 C56 178.2(5) . . . . ?
C62 C63 C64 C65 0.3(9) . . . . ?
C63 C62 C67 C66 1.4(8) . . . . ?
C63 C64 C65 C66 2.3(9) . . . . ?
C63 C64 C65 C68 -177.7(5) . . . . ?
C64 C65 C66 C67 -3.0(9) . . . . ?
C64 C65 C68 C69 -30.5(8) . . . . ?
C64 C65 C68 C71 148.7(6) . . . . ?
C65 C66 C67 C62 1.2(9) . . . . ?
C65 C68 C69 C70 -179.1(5) . . . . ?
C65 C68 C71 C72 179.2(5) . . . . ?
C66 C65 C68 C69 149.5(5) . . . . ?
C66 C65 C68 C71 -31.3(8) . . . . ?
C67 C62 C63 C64 -2.2(9) . . . . ?
C68 C65 C66 C67 176.9(5) . . . . ?
C68 C69 C70 N00K -0.3(8) . . . . ?
C68 C69 C70 C78 178.6(5) . . . . ?
C68 C71 C72 N00K 0.1(8) . . . . ?
C68 C71 C72 C73 178.5(5) . . . . ?
C69 C68 C71 C72 -1.7(8) . . . . ?
C69 C70 C78 N10 -171.3(5) . . . . ?
C69 C70 C78 C79 11.8(9) . . . . ?
C70 N00K C72 C71 1.4(8) . . . . ?
C70 N00K C72 C73 -177.1(5) . . . . ?
C70 C78 C79 C80 178.6(5) . . . . ?
C71 C68 C69 C70 1.8(8) . . . . ?
C71 C72 C73 N00R 175.4(5) . . . . ?
C71 C72 C73 C74 -3.2(9) . . . . ?
C72 N00K C70 C69 -1.3(8) . . . . ?
C72 N00K C70 C78 179.7(5) . . . . ?
C72 C73 C74 C75 178.8(5) . . . . ?
C73 N00R C77 C76 0.1(9) . . . . ?
C73 C74 C75 C76 -1.1(9) . . . . ?
C74 C75 C76 C77 1.3(10) . . . . ?
C75 C76 C77 N00R -0.9(10) . . . . ?
C77 N00R C73 C72 -178.5(5) . . . . ?
C77 N00R C73 C74 0.2(8) . . . . ?
C78 N10 C82 C81 0.5(9) . . . . ?
C78 C79 C80 C81 0.8(10) . . . . ?
C79 C80 C81 C82 -2.7(10) . . . . ?
C80 C81 C82 N10 2.1(11) . . . . ?
C82 N10 C78 C70 -179.6(5) . . . . ?
C82 N10 C78 C79 -2.6(8) . . . . ?
C83 N6 C87 C86 2.6(9) . . . . ?
C83 N6 C87 C88 -178.1(5) . . . . ?
C83 C84 C85 C86 0.2(12) . . . . ?
C84 C85 C86 C87 0.6(11) . . . . ?
C85 C86 C87 N6 -2.1(10) . . . . ?
C85 C86 C87 C88 178.7(6) . . . . ?
C86 C87 C88 N5 176.2(6) . . . . ?
C86 C87 C88 C89 -6.0(9) . . . . ?
C87 N6 C83 C84 -1.8(10) . . . . ?
C87 C88 C89 C90 -178.2(5) . . . . ?
C88 N5 C92 C91 0.1(8) . . . . ?
C88 N5 C92 C93 -176.4(5) . . . . ?
C88 C89 C90 C91 -0.1(8) . . . . ?
C88 C89 C90 C98 177.7(5) . . . . ?
C89 C90 C91 C92 0.7(8) . . . . ?
C89 C90 C98 C99 25.3(8) . . . . ?
C89 C90 C98 C103 -151.5(6) . . . . ?
C90 C91 C92 N5 -0.7(8) . . . . ?
C90 C91 C92 C93 175.3(5) . . . . ?
C90 C98 C99 C100 -178.5(5) . . . . ?
C90 C98 C103 C102 178.2(5) . . . . ?
C91 C90 C98 C99 -156.9(5) . . . . ?
C91 C90 C98 C103 26.2(8) . . . . ?
C91 C92 C93 N4 179.9(5) . . . . ?
C91 C92 C93 C94 -1.4(9) . . . . ?
C92 N5 C88 C87 178.4(4) . . . . ?
C92 N5 C88 C89 0.6(8) . . . . ?
C92 C93 C94 C95 -178.5(6) . . . . ?
C93 N4 C97 C96 -2.3(9) . . . . ?
C93 C94 C95 C96 -1.0(10) . . . . ?
C94 C95 C96 C97 0.3(10) . . . . ?
C95 C96 C97 N4 1.5(10) . . . . ?
C97 N4 C93 C92 -179.8(5) . . . . ?
C97 N4 C93 C94 1.4(8) . . . . ?
C98 C90 C91 C92 -177.1(5) . . . . ?
C98 C99 C100 C101 -0.1(9) . . . . ?
C99 C98 C103 C102 1.2(9) . . . . ?
C99 C100 C101 C102 2.0(9) . . . . ?
C99 C100 C101 C104 -177.9(5) . . . . ?
C100 C101 C102 C103 -2.2(9) . . . . ?
C100 C101 C104 C105 153.8(5) . . . . ?
C100 C101 C104 C113 -23.0(8) . . . . ?
C101 C102 C103 C98 0.7(10) . . . . ?
C101 C104 C105 C106 -174.6(5) . . . . ?
C101 C104 C113 C112 174.4(5) . . . . ?
C102 C101 C104 C105 -26.1(8) . . . . ?
C102 C101 C104 C113 157.1(6) . . . . ?
C103 C98 C99 C100 -1.5(9) . . . . ?
C104 C101 C102 C103 177.7(5) . . . . ?
C104 C105 C106 N12 -0.4(8) . . . . ?
C104 C105 C106 C107 178.1(5) . . . . ?
C105 C104 C113 C112 -2.5(8) . . . . ?
C105 C106 C107 N13 -173.0(5) . . . . ?
C105 C106 C107 C108 8.5(9) . . . . ?
C106 N12 C112 C113 1.4(7) . . . . ?
C106 N12 C112 C114 177.7(5) . . . . ?
C106 C107 C108 C109 177.9(6) . . . . ?
C107 N13 C111 C110 0.7(9) . . . . ?
C107 C108 C109 C110 -1.5(10) . . . . ?
C108 C109 C110 C111 3.0(11) . . . . ?
C109 C110 C111 N13 -2.7(10) . . . . ?
C111 N13 C107 C106 -177.6(5) . . . . ?
C111 N13 C107 C108 0.9(8) . . . . ?
C112 N12 C106 C105 -1.6(8) . . . . ?
C112 N12 C106 C107 179.8(4) . . . . ?
C112 C114 C115 C116 178.8(6) . . . . ?
C113 C104 C105 C106 2.4(8) . . . . ?
C113 C112 C114 N11 167.9(5) . . . . ?
C113 C112 C114 C115 -11.5(9) . . . . ?
C114 N11 C118 C117 -1.6(10) . . . . ?
C114 C112 C113 C104 -175.2(5) . . . . ?
C114 C115 C116 C117 0.5(11) . . . . ?
C115 C116 C117 C118 -0.9(12) . . . . ?
C116 C117 C118 N11 1.5(12) . . . . ?
C118 N11 C114 C112 -178.3(5) . . . . ?
C118 N11 C114 C115 1.1(8) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.973 0.000 0.500 740.5 127.0 '4 HCOO,4 H2O'
2 0.500 -0.014 0.000 1160.9 341.6 '8 DMF,2 H2O'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
