# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_complex1
_database_code_depnum_ccdc_archive 'CCDC 2149793'
loop_
_audit_author_name
_audit_author_address
'Jian-Jun Liu'
;Qujing Normal University
China
;
_audit_update_record             
;
2022-02-03 deposited with the CCDC.	2022-05-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H33 N5 O21 W5 Zn'
_chemical_formula_sum            'C24 H33 N5 O21 W5 Zn'
_chemical_formula_weight         1712.17

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.6641(6)
_cell_length_b                   12.2880(6)
_cell_length_c                   17.5529(6)
_cell_angle_alpha                104.503(4)
_cell_angle_beta                 102.541(4)
_cell_angle_gamma                105.931(4)
_cell_volume                     2228.95(19)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    8290
_cell_measurement_theta_min      1.8441
_cell_measurement_theta_max      31.0233

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.551
_exptl_crystal_F_000             1560
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_exptl_absorpt_coefficient_mu    13.454
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.56075
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   '(SADABS; Bruker, 2004)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            15783
_diffrn_reflns_av_unetI/netI     0.0447
_diffrn_reflns_av_R_equivalents  0.0273
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.519
_diffrn_reflns_theta_max         24.712
_diffrn_reflns_theta_full        24.712
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measured_fraction_theta_full 0.964
_diffrn_reflns_Laue_measured_fraction_max 0.964
_diffrn_reflns_Laue_measured_fraction_full 0.964
_diffrn_reflns_point_group_measured_fraction_max 0.964
_diffrn_reflns_point_group_measured_fraction_full 0.964
_reflns_number_total             7317
_reflns_number_gt                6072
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          SQUEEZE
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0535P)²+5.7415P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7317
_refine_ls_number_parameters     514
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0450
_refine_ls_R_factor_gt           0.0346
_refine_ls_wR_factor_ref         0.0972
_refine_ls_wR_factor_gt          0.0932
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.043
_refine_ls_shift/su_mean         0.001

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 0.38359(10) 0.74722(9) 0.67517(7) 0.0265(3) Uani 1 1 d . . . . .
W1 W 0.14356(3) 0.89429(3) 0.59903(2) 0.02505(11) Uani 1 1 d . . . . .
W2 W -0.15983(3) 0.82170(3) 0.55662(2) 0.02563(12) Uani 1 1 d . . . . .
W3 W -0.17911(3) 0.82182(3) 0.33769(2) 0.02715(12) Uani 1 1 d . . . . .
W4 W 0.12493(3) 0.89307(3) 0.37983(2) 0.02673(12) Uani 1 1 d . . . . .
W5 W -0.02448(4) 1.00490(4) 0.25642(3) 0.03152(12) Uani 1 1 d . . . . .
O5 O 0.4098(6) 0.6893(6) 0.5684(4) 0.0299(15) Uani 1 1 d . . . . .
O10 O -0.2341(5) 0.9420(6) 0.5708(4) 0.0271(15) Uani 1 1 d . . . . .
O11 O -0.1619(6) 0.8285(5) 0.4498(4) 0.0276(15) Uani 1 1 d . . . . .
O7 O -0.0175(5) 0.7705(5) 0.5623(4) 0.0232(14) Uani 1 1 d . . . . .
N4 N 0.4474(7) 0.6882(7) 0.4486(5) 0.0303(19) Uani 1 1 d . . . . .
O16 O -0.2555(5) 0.9420(5) 0.3551(4) 0.0277(15) Uani 1 1 d . . . . .
O21 O 0.0886(6) 0.9154(6) 0.2763(4) 0.0309(16) Uani 1 1 d . . . . .
O3 O 0.4672(8) 0.9159(6) 0.7473(5) 0.047(2) Uani 1 1 d . . . . .
O14 O 0.2243(6) 0.8157(6) 0.3666(4) 0.0365(17) Uani 1 1 d . . . . .
O6 O 0.2427(6) 0.8141(6) 0.6086(4) 0.0351(17) Uani 1 1 d . . . . .
O13 O -0.0367(6) 0.7707(5) 0.3449(4) 0.0301(15) Uani 1 1 d . . . . .
O18 O -0.1295(6) 1.0857(6) 0.2869(4) 0.0309(16) Uani 1 1 d . . . . .
O4 O 0.2380(6) 0.6514(6) 0.6987(4) 0.0330(16) Uani 1 1 d . . . . .
O12 O 0.1305(5) 0.8970(5) 0.4935(4) 0.0265(15) Uani 1 1 d . . . . .
C18 C 0.4720(9) 0.8794(9) 0.5447(7) 0.037(3) Uani 1 1 d . . . . .
H18A H 0.4738 0.9120 0.6021 0.056 Uiso 1 1 calc R U . . .
H18B H 0.4079 0.8964 0.5080 0.056 Uiso 1 1 calc R U . . .
H18C H 0.5541 0.9166 0.5389 0.056 Uiso 1 1 calc R U . . .
O8 O 0.0116(5) 0.9989(5) 0.6112(4) 0.0235(15) Uani 1 1 d . . . . .
C17 C 0.4420(8) 0.7471(9) 0.5218(6) 0.028(2) Uani 1 1 d . . . . .
O20 O 0.1164(6) 1.1437(6) 0.3231(4) 0.0318(16) Uani 1 1 d . . . . .
O2 O 0.7561(7) 0.4259(6) 0.7648(5) 0.0436(19) Uani 1 1 d . . . . .
O17 O -0.1556(6) 0.8564(6) 0.2399(4) 0.0320(16) Uani 1 1 d . . . . .
N1 N 0.5238(8) 0.6891(7) 0.7344(5) 0.035(2) Uani 1 1 d . . . . .
O15 O -0.3029(6) 0.6910(6) 0.2889(4) 0.0327(16) Uani 1 1 d . . . . .
O1 O 0.8478(9) 0.7681(7) 0.9780(5) 0.068(3) Uani 1 1 d . . . . .
C19 C 0.4174(10) 0.5588(9) 0.4212(7) 0.037(3) Uani 1 1 d . . . . .
H19A H 0.4936 0.5407 0.4192 0.056 Uiso 1 1 calc R U . . .
H19B H 0.3557 0.5229 0.3660 0.056 Uiso 1 1 calc R U . . .
H19C H 0.3825 0.5258 0.4600 0.056 Uiso 1 1 calc R U . . .
C20 C 0.4866(9) 0.7508(9) 0.3926(7) 0.037(3) Uani 1 1 d . . . . .
H20A H 0.4278 0.7907 0.3766 0.055 Uiso 1 1 calc R U . . .
H20B H 0.4875 0.6928 0.3431 0.055 Uiso 1 1 calc R U . . .
H20C H 0.5708 0.8107 0.4207 0.055 Uiso 1 1 calc R U . . .
O19 O -0.0327(7) 1.0077(7) 0.1572(5) 0.048(2) Uani 1 1 d . . . . .
C22 C 0.1448(10) 0.5644(9) 0.6503(6) 0.033(2) Uani 1 1 d . . . . .
N3 N 0.4694(10) 1.0873(8) 0.8279(6) 0.057(3) Uani 1 1 d . . . . .
N5 N 0.0310(8) 0.5463(8) 0.6569(6) 0.042(2) Uani 1 1 d . . . . .
N2 N 0.8019(7) 0.5968(7) 0.8702(5) 0.033(2) Uani 1 1 d . . . . .
C13 C 0.3577(12) 0.9104(10) 0.8545(7) 0.051(3) Uani 1 1 d . . . . .
H13A H 0.4115 0.9301 0.9110 0.076 Uiso 1 1 calc R U . . .
H13B H 0.3276 0.8236 0.8266 0.076 Uiso 1 1 calc R U . . .
H13C H 0.2860 0.9367 0.8565 0.076 Uiso 1 1 calc R U . . .
C5 C 0.6446(9) 0.7496(10) 0.7479(6) 0.035(3) Uani 1 1 d . . . . .
H5 H 0.6664 0.8144 0.7273 0.042 Uiso 1 1 calc R U . . .
C21 C 0.1675(11) 0.4717(9) 0.5854(8) 0.049(3) Uani 1 1 d . . . . .
H21A H 0.0985 0.4422 0.5338 0.074 Uiso 1 1 calc R U . . .
H21B H 0.1723 0.4046 0.6050 0.074 Uiso 1 1 calc R U . . .
H21C H 0.2465 0.5085 0.5757 0.074 Uiso 1 1 calc R U . . .
C3 C 0.7077(9) 0.6282(8) 0.8220(6) 0.031(2) Uani 1 1 d . . . . .
C16 C 0.5473(14) 1.1456(11) 0.7822(9) 0.075(5) Uani 1 1 d . . . . .
H16A H 0.6338 1.1876 0.8185 0.113 Uiso 1 1 calc R U . . .
H16B H 0.5136 1.2031 0.7646 0.113 Uiso 1 1 calc R U . . .
H16C H 0.5457 1.0843 0.7335 0.113 Uiso 1 1 calc R U . . .
C14 C 0.4336(12) 0.9753(11) 0.8063(8) 0.055(3) Uani 1 1 d . . . . .
C1 C 0.4945(10) 0.5950(10) 0.7617(7) 0.046(3) Uani 1 1 d . . . . .
H1 H 0.4087 0.5492 0.7496 0.055 Uiso 1 1 calc R U . . .
C24 C -0.0778(10) 0.4399(12) 0.6100(9) 0.062(4) Uani 1 1 d . . . . .
H24A H -0.0510 0.3752 0.5834 0.093 Uiso 1 1 calc R U . . .
H24B H -0.1329 0.4573 0.5676 0.093 Uiso 1 1 calc R U . . .
H24C H -0.1231 0.4151 0.6472 0.093 Uiso 1 1 calc R U . . .
C4 C 0.7383(9) 0.7197(9) 0.7910(7) 0.036(3) Uani 1 1 d . . . . .
H4 H 0.8236 0.7626 0.7991 0.043 Uiso 1 1 calc R U . . .
C2 C 0.5835(9) 0.5630(10) 0.8061(7) 0.037(3) Uani 1 1 d . . . . .
H2 H 0.5601 0.4972 0.8255 0.045 Uiso 1 1 calc R U . . .
C8 C 0.8956(9) 0.4448(8) 0.8914(6) 0.028(2) Uani 1 1 d . . . . .
C11 C 1.0111(10) 0.6993(9) 1.0868(7) 0.040(3) Uani 1 1 d . . . . .
H11 H 1.0010 0.7739 1.1082 0.049 Uiso 1 1 calc R U . . .
C15 C 0.4318(13) 1.1597(10) 0.8890(10) 0.073(4) Uani 1 1 d . . . . .
H15A H 0.3449 1.1529 0.8652 0.109 Uiso 1 1 calc R U . . .
H15B H 0.4865 1.2436 0.9066 0.109 Uiso 1 1 calc R U . . .
H15C H 0.4383 1.1318 0.9369 0.109 Uiso 1 1 calc R U . . .
C23 C 0.0085(12) 0.6372(11) 0.7158(10) 0.068(4) Uani 1 1 d . . . . .
H23A H 0.0841 0.7090 0.7404 0.102 Uiso 1 1 calc R U . . .
H23B H -0.0128 0.6068 0.7594 0.102 Uiso 1 1 calc R U . . .
H23C H -0.0610 0.6573 0.6876 0.102 Uiso 1 1 calc R U . . .
C6 C 0.8643(10) 0.6729(9) 0.9523(7) 0.038(3) Uani 1 1 d . . . . .
C12 C 0.9110(9) 0.3372(8) 0.8613(6) 0.035(2) Uani 1 1 d . . . . .
H12 H 0.8686 0.2880 0.8053 0.042 Uiso 1 1 calc R U . . .
C9 C 0.9599(8) 0.5205(8) 0.9734(6) 0.026(2) Uani 1 1 d . . . . .
C7 C 0.8122(9) 0.4837(8) 0.8361(7) 0.030(2) Uani 1 1 d . . . . .
C10 C 0.9480(9) 0.6307(8) 1.0053(6) 0.033(2) Uani 1 1 d . . . . .
O9 O -0.2811(6) 0.6923(6) 0.5310(4) 0.0338(16) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 O5 1.952(7) . ?
Zn1 O3 1.973(7) . ?
Zn1 O4 1.973(6) . ?
Zn1 N1 2.131(8) . ?
Zn1 O6 2.265(7) . ?
W1 O6 1.720(6) . ?
W1 O12 1.836(6) . ?
W1 O7 1.916(6) . ?
W1 O16 1.921(6) 2_576 ?
W1 O18 2.003(6) 2_576 ?
W1 O8 2.271(6) . ?
W2 O9 1.692(6) . ?
W2 O11 1.892(6) . ?
W2 O10 1.900(6) . ?
W2 O7 1.923(6) . ?
W2 O20 1.965(7) 2_576 ?
W2 O8 2.321(6) . ?
W3 O15 1.704(6) . ?
W3 O11 1.914(6) . ?
W3 O16 1.919(6) . ?
W3 O13 1.921(6) . ?
W3 O17 1.926(7) . ?
W3 O8 2.316(6) 2_576 ?
W4 O14 1.707(6) . ?
W4 O21 1.881(7) . ?
W4 O13 1.916(6) . ?
W4 O10 1.925(6) 2_576 ?
W4 O12 1.969(6) . ?
W4 O8 2.343(6) 2_576 ?
W5 O19 1.734(7) . ?
W5 O18 1.860(7) . ?
W5 O20 1.899(6) . ?
W5 O17 1.939(6) . ?
W5 O21 1.964(6) . ?
W5 O8 2.309(6) 2_576 ?
O5 C17 1.262(11) . ?
O10 W4 1.925(6) 2_576 ?
N4 C17 1.331(12) . ?
N4 C19 1.456(12) . ?
N4 C20 1.465(12) . ?
O16 W1 1.921(6) 2_576 ?
O3 C14 1.309(15) . ?
O18 W1 2.003(6) 2_576 ?
O4 C22 1.246(11) . ?
C18 C17 1.491(14) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
O8 W5 2.309(6) 2_576 ?
O8 W3 2.316(6) 2_576 ?
O8 W4 2.342(6) 2_576 ?
O20 W2 1.965(7) 2_576 ?
O2 C7 1.200(12) . ?
N1 C5 1.336(13) . ?
N1 C1 1.347(13) . ?
O1 C6 1.227(12) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C22 N5 1.319(13) . ?
C22 C21 1.522(14) . ?
N3 C14 1.252(14) . ?
N3 C15 1.440(16) . ?
N3 C16 1.494(17) . ?
N5 C23 1.444(15) . ?
N5 C24 1.447(14) . ?
N2 C6 1.405(13) . ?
N2 C7 1.418(12) . ?
N2 C3 1.437(12) . ?
C13 C14 1.553(17) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C5 C4 1.380(13) . ?
C5 H5 0.9500 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C3 C4 1.362(14) . ?
C3 C2 1.377(14) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C1 C2 1.366(15) . ?
C1 H1 0.9500 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C4 H4 0.9500 . ?
C2 H2 0.9500 . ?
C8 C12 1.371(13) . ?
C8 C9 1.406(13) . ?
C8 C7 1.481(14) . ?
C11 C10 1.377(14) . ?
C11 C12 1.387(14) 2_767 ?
C11 H11 0.9500 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C6 C10 1.489(13) . ?
C12 C11 1.387(14) 2_767 ?
C12 H12 0.9500 . ?
C9 C10 1.387(13) . ?
C9 C9 1.455(17) 2_767 ?

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
O5 Zn1 O3 121.7(3) . . ?
O5 Zn1 O4 119.3(3) . . ?
O3 Zn1 O4 116.8(3) . . ?
O5 Zn1 N1 91.6(3) . . ?
O3 Zn1 N1 94.0(3) . . ?
O4 Zn1 N1 99.5(3) . . ?
O5 Zn1 O6 86.1(3) . . ?
O3 Zn1 O6 85.1(3) . . ?
O4 Zn1 O6 83.8(3) . . ?
N1 Zn1 O6 176.6(3) . . ?
O6 W1 O12 100.2(3) . . ?
O6 W1 O7 101.7(3) . . ?
O12 W1 O7 91.5(3) . . ?
O6 W1 O16 103.3(3) . 2_576 ?
O12 W1 O16 91.2(3) . 2_576 ?
O7 W1 O16 153.9(3) . 2_576 ?
O6 W1 O18 93.8(3) . 2_576 ?
O12 W1 O18 165.9(3) . 2_576 ?
O7 W1 O18 85.5(3) . 2_576 ?
O16 W1 O18 85.5(3) 2_576 2_576 ?
O6 W1 O8 168.8(3) . . ?
O12 W1 O8 90.9(2) . . ?
O7 W1 O8 77.0(2) . . ?
O16 W1 O8 77.0(2) 2_576 . ?
O18 W1 O8 75.0(2) 2_576 . ?
O9 W2 O11 99.9(3) . . ?
O9 W2 O10 104.1(3) . . ?
O11 W2 O10 89.3(3) . . ?
O9 W2 O7 103.3(3) . . ?
O11 W2 O7 89.1(3) . . ?
O10 W2 O7 152.4(3) . . ?
O9 W2 O20 96.4(3) . 2_576 ?
O11 W2 O20 163.8(3) . 2_576 ?
O10 W2 O20 87.3(3) . 2_576 ?
O7 W2 O20 86.5(3) . 2_576 ?
O9 W2 O8 171.7(3) . . ?
O11 W2 O8 88.3(2) . . ?
O10 W2 O8 76.7(2) . . ?
O7 W2 O8 75.7(2) . . ?
O20 W2 O8 75.4(2) 2_576 . ?
O15 W3 O11 99.2(3) . . ?
O15 W3 O16 104.0(3) . . ?
O11 W3 O16 88.2(3) . . ?
O15 W3 O13 103.2(3) . . ?
O11 W3 O13 88.1(3) . . ?
O16 W3 O13 152.9(3) . . ?
O15 W3 O17 97.1(3) . . ?
O11 W3 O17 163.7(3) . . ?
O16 W3 O17 88.4(3) . . ?
O13 W3 O17 87.6(3) . . ?
O15 W3 O8 173.3(3) . 2_576 ?
O11 W3 O8 87.5(2) . 2_576 ?
O16 W3 O8 76.0(2) . 2_576 ?
O13 W3 O8 77.0(2) . 2_576 ?
O17 W3 O8 76.2(2) . 2_576 ?
O14 W4 O21 99.1(3) . . ?
O14 W4 O13 104.2(3) . . ?
O21 W4 O13 89.6(3) . . ?
O14 W4 O10 104.0(3) . 2_576 ?
O21 W4 O10 89.6(3) . 2_576 ?
O13 W4 O10 151.6(3) . 2_576 ?
O14 W4 O12 97.8(3) . . ?
O21 W4 O12 163.1(3) . . ?
O13 W4 O12 86.7(3) . . ?
O10 W4 O12 86.0(3) 2_576 . ?
O14 W4 O8 175.9(3) . 2_576 ?
O21 W4 O8 76.8(2) . 2_576 ?
O13 W4 O8 76.4(2) . 2_576 ?
O10 W4 O8 75.8(2) 2_576 2_576 ?
O12 W4 O8 86.3(2) . 2_576 ?
O19 W5 O18 103.7(3) . . ?
O19 W5 O20 102.8(3) . . ?
O18 W5 O20 89.5(3) . . ?
O19 W5 O17 104.1(3) . . ?
O18 W5 O17 88.0(3) . . ?
O20 W5 O17 152.8(3) . . ?
O19 W5 O21 103.4(3) . . ?
O18 W5 O21 152.8(3) . . ?
O20 W5 O21 85.5(3) . . ?
O17 W5 O21 84.5(3) . . ?
O19 W5 O8 179.5(3) . 2_576 ?
O18 W5 O8 76.7(2) . 2_576 ?
O20 W5 O8 76.9(2) . 2_576 ?
O17 W5 O8 76.1(2) . 2_576 ?
O21 W5 O8 76.1(2) . 2_576 ?
C17 O5 Zn1 129.0(6) . . ?
W2 O10 W4 118.0(3) . 2_576 ?
W2 O11 W3 174.3(4) . . ?
W1 O7 W2 116.6(3) . . ?
C17 N4 C19 121.6(8) . . ?
C17 N4 C20 121.6(8) . . ?
C19 N4 C20 116.8(8) . . ?
W3 O16 W1 116.3(3) . 2_576 ?
W4 O21 W5 117.3(3) . . ?
C14 O3 Zn1 128.0(7) . . ?
W1 O6 Zn1 156.8(4) . . ?
W4 O13 W3 117.1(3) . . ?
W5 O18 W1 116.5(3) . 2_576 ?
C22 O4 Zn1 129.0(7) . . ?
W1 O12 W4 175.7(4) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
W1 O8 W5 91.7(2) . 2_576 ?
W1 O8 W3 90.65(19) . 2_576 ?
W5 O8 W3 90.8(2) 2_576 2_576 ?
W1 O8 W2 90.6(2) . . ?
W5 O8 W2 90.7(2) 2_576 . ?
W3 O8 W2 178.0(3) 2_576 . ?
W1 O8 W4 178.5(3) . 2_576 ?
W5 O8 W4 89.8(2) 2_576 2_576 ?
W3 O8 W4 89.3(2) 2_576 2_576 ?
W2 O8 W4 89.36(19) . 2_576 ?
O5 C17 N4 119.2(9) . . ?
O5 C17 C18 122.5(9) . . ?
N4 C17 C18 118.3(9) . . ?
W5 O20 W2 116.9(3) . 2_576 ?
W3 O17 W5 116.8(3) . . ?
C5 N1 C1 118.5(9) . . ?
C5 N1 Zn1 119.7(6) . . ?
C1 N1 Zn1 121.7(7) . . ?
N4 C19 H19A 109.5 . . ?
N4 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
N4 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N4 C20 H20A 109.5 . . ?
N4 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
N4 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O4 C22 N5 122.9(10) . . ?
O4 C22 C21 117.2(9) . . ?
N5 C22 C21 119.7(10) . . ?
C14 N3 C15 123.5(12) . . ?
C14 N3 C16 116.7(12) . . ?
C15 N3 C16 119.6(11) . . ?
C22 N5 C23 119.5(9) . . ?
C22 N5 C24 125.6(10) . . ?
C23 N5 C24 114.8(9) . . ?
C6 N2 C7 124.6(8) . . ?
C6 N2 C3 116.9(8) . . ?
C7 N2 C3 117.8(8) . . ?
C14 C13 H13A 109.5 . . ?
C14 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C14 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N1 C5 C4 121.3(10) . . ?
N1 C5 H5 119.3 . . ?
C4 C5 H5 119.3 . . ?
C22 C21 H21A 109.5 . . ?
C22 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C22 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C4 C3 C2 119.4(9) . . ?
C4 C3 N2 121.8(9) . . ?
C2 C3 N2 118.9(9) . . ?
N3 C16 H16A 109.5 . . ?
N3 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
N3 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N3 C14 O3 119.6(12) . . ?
N3 C14 C13 118.9(13) . . ?
O3 C14 C13 121.3(11) . . ?
N1 C1 C2 122.5(10) . . ?
N1 C1 H1 118.7 . . ?
C2 C1 H1 118.7 . . ?
N5 C24 H24A 109.5 . . ?
N5 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
N5 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C3 C4 C5 119.6(10) . . ?
C3 C4 H4 120.2 . . ?
C5 C4 H4 120.2 . . ?
C1 C2 C3 118.5(10) . . ?
C1 C2 H2 120.7 . . ?
C3 C2 H2 120.7 . . ?
C12 C8 C9 121.2(9) . . ?
C12 C8 C7 119.6(9) . . ?
C9 C8 C7 119.2(8) . . ?
C10 C11 C12 122.1(9) . 2_767 ?
C10 C11 H11 119.0 . . ?
C12 C11 H11 119.0 2_767 . ?
N3 C15 H15A 109.5 . . ?
N3 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
N3 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N5 C23 H23A 109.5 . . ?
N5 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
N5 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O1 C6 N2 120.8(9) . . ?
O1 C6 C10 122.7(9) . . ?
N2 C6 C10 116.6(9) . . ?
C8 C12 C11 119.5(9) . 2_767 ?
C8 C12 H12 120.2 . . ?
C11 C12 H12 120.2 2_767 . ?
C10 C9 C8 122.7(8) . . ?
C10 C9 C9 119.2(11) . 2_767 ?
C8 C9 C9 118.1(10) . 2_767 ?
O2 C7 N2 119.5(9) . . ?
O2 C7 C8 123.5(9) . . ?
N2 C7 C8 117.0(9) . . ?
C11 C10 C9 119.8(9) . . ?
C11 C10 C6 120.1(9) . . ?
C9 C10 C6 120.0(9) . . ?

_refine_diff_density_max         1.287
_refine_diff_density_min         -0.943
_refine_diff_density_rms         0.205



