# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1536562'
_audit_update_record             
;
2017-03-07 deposited with the CCDC.
2017-08-02 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         ?
_chemical_formula_sum            'C28 H24 N2 O20 Zn3'
_chemical_formula_weight         904.60

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'

_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                   12.5412(9)
_cell_length_b                   12.9653(9)
_cell_length_c                   14.9803(10)
_cell_angle_alpha                113.869(2)
_cell_angle_beta                 95.216(2)
_cell_angle_gamma                90.096(2)
_cell_volume                     2216.3(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    1234
_cell_measurement_theta_min      2.32
_cell_measurement_theta_max      19.85

_exptl_crystal_description       Block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.356
_exptl_crystal_F_000             912
_exptl_transmission_factor_min   0.864
_exptl_transmission_factor_max   0.864
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    1.679
_shelx_estimated_absorpt_T_min   0.709
_shelx_estimated_absorpt_T_max   0.752
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            14487
_diffrn_reflns_av_unetI/netI     0.1170
_diffrn_reflns_av_R_equivalents  0.0665
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.494
_diffrn_reflns_theta_max         25.166
_diffrn_reflns_theta_full        25.166
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             7894
_reflns_number_gt                4738
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0603P)²] 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         7894
_refine_ls_number_parameters     485
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0948
_refine_ls_R_factor_gt           0.0529
_refine_ls_wR_factor_ref         0.1483
_refine_ls_wR_factor_gt          0.1224
_refine_ls_goodness_of_fit_ref   0.940
_refine_ls_restrained_S_all      0.940
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
C1 C 0.3194(5) -0.4560(6) -0.3583(5) 0.0386(17) Uani 1 1 d . . . . .
C2 C 0.2437(6) -0.3636(5) -0.3183(4) 0.0356(16) Uani 1 1 d . . . . .
C3 C 0.2082(6) -0.2839(6) -0.3466(5) 0.052(2) Uani 1 1 d . . . . .
H3 H 0.2280 -0.2715 -0.3999 0.062 Uiso 1 1 calc R U . . .
C4 C 0.1344(6) -0.2214(6) -0.2806(5) 0.0473(19) Uani 1 1 d . . . . .
H4 H 0.0971 -0.1602 -0.2824 0.057 Uiso 1 1 calc R U . . .
C5 C 0.1284(6) -0.2667(5) -0.2156(5) 0.0362(17) Uani 1 1 d . . . . .
C6 C 0.0721(5) -0.2331(5) -0.1269(4) 0.0307(15) Uani 1 1 d . . . . .
C7 C -0.1589(5) -0.1099(5) 0.0866(4) 0.0315(15) Uani 1 1 d . . . . .
C8 C -0.2537(5) -0.0853(5) 0.1431(5) 0.0361(17) Uani 1 1 d . . . . .
C9 C -0.3246(6) -0.0050(6) 0.1625(5) 0.0464(19) Uani 1 1 d . . . . .
H9 H -0.3281 0.0518 0.1395 0.056 Uiso 1 1 calc R U . . .
C10 C -0.3949(6) -0.0229(6) 0.2256(5) 0.049(2) Uani 1 1 d . . . . .
H10 H -0.4530 0.0197 0.2514 0.059 Uiso 1 1 calc R U . . .
C11 C -0.3606(6) -0.1120(6) 0.2398(5) 0.0409(18) Uani 1 1 d . . . . .
C12 C -0.3981(6) -0.1736(6) 0.2981(5) 0.0403(18) Uani 1 1 d . . . . .
C13 C 0.1154(5) 0.0098(5) 0.1898(5) 0.0339(16) Uani 1 1 d . . . . .
C14 C 0.2099(5) 0.0877(5) 0.2196(4) 0.0334(16) Uani 1 1 d . . . . .
C15 C 0.2813(6) 0.1160(6) 0.1707(5) 0.048(2) Uani 1 1 d . . . . .
H15 H 0.2787 0.0926 0.1031 0.058 Uiso 1 1 calc R U . . .
C16 C 0.3615(6) 0.1882(6) 0.2417(5) 0.052(2) Uani 1 1 d . . . . .
H16 H 0.4221 0.2199 0.2294 0.062 Uiso 1 1 calc R U . . .
C17 C 0.3333(6) 0.2018(5) 0.3289(5) 0.0364(17) Uani 1 1 d . . . . .
C18 C 0.3842(6) 0.2664(5) 0.4294(5) 0.0347(16) Uani 1 1 d . . . . .
C19 C 0.3860(5) 0.5528(5) 0.3302(4) 0.0312(15) Uani 1 1 d . . . . .
C20 C 0.2865(5) 0.5312(5) 0.2650(4) 0.0289(15) Uani 1 1 d . . . . .
C21 C 0.2175(5) 0.4420(6) 0.2216(5) 0.0419(18) Uani 1 1 d . . . . .
H21 H 0.2200 0.3738 0.2284 0.050 Uiso 1 1 calc R U . . .
C22 C 0.1384(6) 0.4736(6) 0.1620(5) 0.0462(19) Uani 1 1 d . . . . .
H22 H 0.0787 0.4301 0.1238 0.055 Uiso 1 1 calc R U . . .
C23 C 0.1671(5) 0.5759(6) 0.1723(5) 0.0354(16) Uani 1 1 d . . . . .
C24 C 0.1163(6) 0.6536(7) 0.1318(5) 0.0461(19) Uani 1 1 d . . . . .
C25 C 0.2867(8) 0.9415(8) 0.3768(7) 0.094(3) Uani 1 1 d . . . . .
H25A H 0.2226 0.9718 0.4063 0.141 Uiso 1 1 calc R U . . .
H25B H 0.2733 0.9140 0.3067 0.141 Uiso 1 1 calc R U . . .
H25C H 0.3427 0.9995 0.3999 0.141 Uiso 1 1 calc R U . . .
C26 C 0.3602(7) 0.8754(7) 0.5048(6) 0.074(3) Uani 1 1 d . . . . .
H26A H 0.4217 0.9263 0.5216 0.111 Uiso 1 1 calc R U . . .
H26B H 0.3800 0.8087 0.5140 0.111 Uiso 1 1 calc R U . . .
H26C H 0.3052 0.9115 0.5461 0.111 Uiso 1 1 calc R U . . .
C27 C 0.1201(10) 0.3774(15) 0.7648(9) 0.183(8) Uani 1 1 d . . . . .
H27A H 0.0633 0.4290 0.7845 0.274 Uiso 1 1 calc R U . . .
H27B H 0.0902 0.3031 0.7240 0.274 Uiso 1 1 calc R U . . .
H27C H 0.1666 0.4014 0.7287 0.274 Uiso 1 1 calc R U . . .
C28 C 0.2266(12) 0.4761(9) 0.9097(9) 0.163(7) Uani 1 1 d . . . . .
H28A H 0.2723 0.5006 0.8734 0.244 Uiso 1 1 calc R U . . .
H28B H 0.2682 0.4708 0.9646 0.244 Uiso 1 1 calc R U . . .
H28C H 0.1718 0.5295 0.9329 0.244 Uiso 1 1 calc R U . . .
N1 N 0.3209(5) 0.8453(5) 0.4044(4) 0.0497(16) Uani 1 1 d . . . . .
H1A H 0.2651 0.7968 0.3897 0.060 Uiso 1 1 calc R U . . .
H1B H 0.3718 0.8092 0.3671 0.060 Uiso 1 1 calc R U . . .
N2 N 0.1812(8) 0.3752(8) 0.8517(8) 0.124(4) Uani 1 1 d . . . . .
H2A H 0.1378 0.3533 0.8852 0.149 Uiso 1 1 calc R U . . .
H2B H 0.2319 0.3250 0.8332 0.149 Uiso 1 1 calc R U . . .
O1 O 0.3584(3) -0.4616(4) -0.4330(3) 0.0446(13) Uani 1 1 d . . . . .
O2 O 0.3342(4) -0.5198(4) -0.3144(3) 0.0469(13) Uani 1 1 d . . . . .
O3 O 0.1957(4) -0.3547(4) -0.2360(3) 0.0384(11) Uani 1 1 d . . . . .
O4 O 0.0924(4) -0.2819(3) -0.0700(3) 0.0384(11) Uani 1 1 d . . . . .
O5 O 0.0085(4) -0.1564(4) -0.1135(3) 0.0389(11) Uani 1 1 d . . . . .
O6 O -0.1073(3) -0.1957(4) 0.0823(3) 0.0387(11) Uani 1 1 d . . . . .
O7 O -0.1377(3) -0.0427(4) 0.0499(3) 0.0384(11) Uani 1 1 d . . . . .
O8 O -0.2737(4) -0.1545(4) 0.1900(3) 0.0395(12) Uani 1 1 d . . . . .
O9 O -0.3501(4) -0.2615(4) 0.2914(3) 0.0470(13) Uani 1 1 d . . . . .
O10 O -0.4726(4) -0.1335(4) 0.3482(4) 0.0613(16) Uani 1 1 d . . . . .
O11 O 0.0991(3) -0.0515(3) 0.0959(3) 0.0291(10) Uani 1 1 d . . . . .
O12 O 0.0610(4) 0.0012(4) 0.2511(3) 0.0554(14) Uani 1 1 d . . . . .
O13 O 0.2415(4) 0.1407(3) 0.3187(3) 0.0363(11) Uani 1 1 d . . . . .
O14 O 0.3404(4) 0.2499(4) 0.4960(3) 0.0503(14) Uani 1 1 d . . . . .
O15 O 0.4669(4) 0.3256(4) 0.4415(3) 0.0395(11) Uani 1 1 d . . . . .
O16 O 0.4085(4) 0.4891(3) 0.3707(3) 0.0358(11) Uani 1 1 d . . . . .
O17 O 0.4419(3) 0.6405(3) 0.3386(3) 0.0339(11) Uani 1 1 d . . . . .
O18 O 0.2587(3) 0.6148(3) 0.2336(3) 0.0325(10) Uani 1 1 d . . . . .
O19 O 0.0328(5) 0.6211(5) 0.0762(4) 0.0732(19) Uani 1 1 d . . . . .
O20 O 0.1590(5) 0.7470(4) 0.1534(4) 0.0623(16) Uani 1 1 d . . . . .
Zn1 Zn 0.0000 0.0000 0.0000 0.0249(2) Uani 1 2 d S . P . .
Zn2 Zn 0.04561(6) -0.21062(6) 0.06299(5) 0.0280(2) Uani 1 1 d . . . . .
Zn3 Zn 0.5000 0.5000 0.5000 0.0249(2) Uani 1 2 d S . P . .
Zn4 Zn 0.59599(6) 0.66358(6) 0.36991(5) 0.0301(2) 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
C1 O1 1.237(7) . ?
C1 O2 1.253(8) . ?
C1 C2 1.490(9) . ?
C2 C3 1.329(9) . ?
C2 O3 1.385(7) . ?
C3 C4 1.418(9) . ?
C4 C5 1.332(8) . ?
C5 O3 1.369(7) . ?
C5 C6 1.469(8) . ?
C6 O5 1.240(7) . ?
C6 O4 1.261(7) . ?
C7 O7 1.242(7) . ?
C7 O6 1.270(7) . ?
C7 C8 1.482(8) . ?
C8 C9 1.329(9) . ?
C8 O8 1.379(6) . ?
C9 C10 1.433(8) . ?
C10 C11 1.323(9) . ?
C11 O8 1.365(7) . ?
C11 C12 1.503(8) . ?
C12 O10 1.232(8) . ?
C12 O9 1.262(8) . ?
C13 O12 1.233(7) . ?
C13 O11 1.302(7) . ?
C13 C14 1.469(9) . ?
C14 C15 1.344(9) . ?
C14 O13 1.378(7) . ?
C15 C16 1.420(9) . ?
C16 C17 1.327(9) . ?
C17 O13 1.359(7) . ?
C17 C18 1.476(9) . ?
C18 O15 1.243(7) . ?
C18 O14 1.272(7) . ?
C19 O16 1.226(7) . ?
C19 O17 1.290(7) . ?
C19 C20 1.465(8) . ?
C20 C21 1.340(8) . ?
C20 O18 1.378(7) . ?
C21 C22 1.443(9) . ?
C22 C23 1.319(9) . ?
C23 O18 1.360(7) . ?
C23 C24 1.488(9) . ?
C24 O20 1.228(8) . ?
C24 O19 1.235(9) . ?
C24 Zn2 2.501(7) 1_565 ?
C25 N1 1.516(9) . ?
C26 N1 1.430(9) . ?
C27 N2 1.460(13) . ?
C28 N2 1.333(12) . ?
O1 Zn3 2.081(4) 1_544 ?
O2 Zn4 1.953(5) 2_655 ?
O4 Zn2 1.972(4) . ?
O5 Zn1 2.064(4) . ?
O6 Zn2 1.963(4) . ?
O7 Zn1 2.102(4) . ?
O9 Zn4 1.962(4) 1_445 ?
O11 Zn2 2.015(4) . ?
O11 Zn1 2.124(4) . ?
O14 Zn4 1.952(5) 2_666 ?
O15 Zn3 2.093(4) . ?
O16 Zn3 2.113(4) . ?
O17 Zn4 1.940(4) . ?
O19 Zn2 2.276(5) 1_565 ?
O20 Zn2 2.101(5) 1_565 ?
Zn1 O5 2.064(4) 2 ?
Zn1 O7 2.102(4) 2 ?
Zn1 O11 2.124(4) 2 ?
Zn2 O20 2.101(5) 1_545 ?
Zn2 O19 2.276(5) 1_545 ?
Zn2 C24 2.501(7) 1_545 ?
Zn3 O1 2.081(4) 2_655 ?
Zn3 O1 2.081(4) 1_566 ?
Zn3 O15 2.093(4) 2_666 ?
Zn3 O16 2.113(4) 2_666 ?
Zn4 O14 1.952(5) 2_666 ?
Zn4 O2 1.953(5) 2_655 ?
Zn4 O9 1.962(4) 1_665 ?

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
O1 C1 O2 127.8(7) . . ?
O1 C1 C2 115.2(6) . . ?
O2 C1 C2 117.0(6) . . ?
C3 C2 O3 109.1(6) . . ?
C3 C2 C1 133.1(6) . . ?
O3 C2 C1 117.8(5) . . ?
C2 C3 C4 107.4(6) . . ?
C5 C4 C3 107.2(7) . . ?
C4 C5 O3 109.5(6) . . ?
C4 C5 C6 131.9(6) . . ?
O3 C5 C6 118.4(5) . . ?
O5 C6 O4 125.0(6) . . ?
O5 C6 C5 116.2(5) . . ?
O4 C6 C5 118.8(6) . . ?
O7 C7 O6 127.2(6) . . ?
O7 C7 C8 116.0(6) . . ?
O6 C7 C8 116.8(5) . . ?
C9 C8 O8 110.3(5) . . ?
C9 C8 C7 133.0(6) . . ?
O8 C8 C7 116.7(5) . . ?
C8 C9 C10 106.7(6) . . ?
C11 C10 C9 106.3(6) . . ?
C10 C11 O8 111.3(6) . . ?
C10 C11 C12 133.0(7) . . ?
O8 C11 C12 115.7(6) . . ?
O10 C12 O9 126.0(6) . . ?
O10 C12 C11 117.1(7) . . ?
O9 C12 C11 116.8(6) . . ?
O12 C13 O11 124.2(6) . . ?
O12 C13 C14 121.2(6) . . ?
O11 C13 C14 114.5(5) . . ?
C15 C14 O13 108.7(6) . . ?
C15 C14 C13 134.2(6) . . ?
O13 C14 C13 116.9(5) . . ?
C14 C15 C16 107.2(6) . . ?
C17 C16 C15 106.7(6) . . ?
C16 C17 O13 110.5(6) . . ?
C16 C17 C18 132.0(7) . . ?
O13 C17 C18 117.5(6) . . ?
O15 C18 O14 126.1(6) . . ?
O15 C18 C17 119.2(6) . . ?
O14 C18 C17 114.6(6) . . ?
O16 C19 O17 126.6(6) . . ?
O16 C19 C20 119.3(5) . . ?
O17 C19 C20 114.2(5) . . ?
C21 C20 O18 110.2(5) . . ?
C21 C20 C19 133.7(6) . . ?
O18 C20 C19 115.9(5) . . ?
C20 C21 C22 105.8(6) . . ?
C23 C22 C21 106.7(6) . . ?
C22 C23 O18 111.2(6) . . ?
C22 C23 C24 131.8(7) . . ?
O18 C23 C24 117.0(6) . . ?
O20 C24 O19 122.0(7) . . ?
O20 C24 C23 119.4(7) . . ?
O19 C24 C23 118.6(7) . . ?
O20 C24 Zn2 56.9(4) . 1_565 ?
O19 C24 Zn2 65.1(4) . 1_565 ?
C23 C24 Zn2 175.5(6) . 1_565 ?
C26 N1 C25 116.3(6) . . ?
C28 N2 C27 111.8(11) . . ?
C1 O1 Zn3 140.9(5) . 1_544 ?
C1 O2 Zn4 123.2(4) . 2_655 ?
C5 O3 C2 106.7(4) . . ?
C6 O4 Zn2 117.6(4) . . ?
C6 O5 Zn1 132.3(4) . . ?
C7 O6 Zn2 123.4(4) . . ?
C7 O7 Zn1 134.8(4) . . ?
C11 O8 C8 105.5(5) . . ?
C12 O9 Zn4 114.2(4) . 1_445 ?
C13 O11 Zn2 113.4(4) . . ?
C13 O11 Zn1 122.2(4) . . ?
Zn2 O11 Zn1 104.17(17) . . ?
C17 O13 C14 106.9(5) . . ?
C18 O14 Zn4 115.7(4) . 2_666 ?
C18 O15 Zn3 133.5(4) . . ?
C19 O16 Zn3 136.6(4) . . ?
C19 O17 Zn4 125.9(4) . . ?
C23 O18 C20 106.0(5) . . ?
C24 O19 Zn2 85.4(5) . 1_565 ?
C24 O20 Zn2 93.7(5) . 1_565 ?
O5 Zn1 O5 180.0 . 2 ?
O5 Zn1 O7 95.03(17) . . ?
O5 Zn1 O7 84.97(17) 2 . ?
O5 Zn1 O7 84.97(17) . 2 ?
O5 Zn1 O7 95.03(17) 2 2 ?
O7 Zn1 O7 180.00(12) . 2 ?
O5 Zn1 O11 89.30(16) . 2 ?
O5 Zn1 O11 90.70(16) 2 2 ?
O7 Zn1 O11 89.51(16) . 2 ?
O7 Zn1 O11 90.49(16) 2 2 ?
O5 Zn1 O11 90.70(16) . . ?
O5 Zn1 O11 89.30(16) 2 . ?
O7 Zn1 O11 90.49(16) . . ?
O7 Zn1 O11 89.51(16) 2 . ?
O11 Zn1 O11 180.0 2 . ?
O6 Zn2 O4 120.79(19) . . ?
O6 Zn2 O11 103.90(18) . . ?
O4 Zn2 O11 98.03(16) . . ?
O6 Zn2 O20 123.64(19) . 1_545 ?
O4 Zn2 O20 105.5(2) . 1_545 ?
O11 Zn2 O20 99.27(19) . 1_545 ?
O6 Zn2 O19 87.24(19) . 1_545 ?
O4 Zn2 O19 92.5(2) . 1_545 ?
O11 Zn2 O19 157.67(18) . 1_545 ?
O20 Zn2 O19 58.79(19) 1_545 1_545 ?
O6 Zn2 C24 107.4(2) . 1_545 ?
O4 Zn2 C24 99.7(2) . 1_545 ?
O11 Zn2 C24 128.5(2) . 1_545 ?
O20 Zn2 C24 29.3(2) 1_545 1_545 ?
O19 Zn2 C24 29.5(2) 1_545 1_545 ?
O1 Zn3 O1 180.0 2_655 1_566 ?
O1 Zn3 O15 93.74(18) 2_655 2_666 ?
O1 Zn3 O15 86.26(18) 1_566 2_666 ?
O1 Zn3 O15 86.26(18) 2_655 . ?
O1 Zn3 O15 93.74(18) 1_566 . ?
O15 Zn3 O15 180.0 2_666 . ?
O1 Zn3 O16 86.59(17) 2_655 2_666 ?
O1 Zn3 O16 93.41(17) 1_566 2_666 ?
O15 Zn3 O16 83.50(16) 2_666 2_666 ?
O15 Zn3 O16 96.50(16) . 2_666 ?
O1 Zn3 O16 93.41(17) 2_655 . ?
O1 Zn3 O16 86.59(17) 1_566 . ?
O15 Zn3 O16 96.50(16) 2_666 . ?
O15 Zn3 O16 83.50(16) . . ?
O16 Zn3 O16 180.0 2_666 . ?
O17 Zn4 O14 121.35(19) . 2_666 ?
O17 Zn4 O2 110.3(2) . 2_655 ?
O14 Zn4 O2 109.5(2) 2_666 2_655 ?
O17 Zn4 O9 108.04(19) . 1_665 ?
O14 Zn4 O9 105.6(2) 2_666 1_665 ?
O2 Zn4 O9 99.85(19) 2_655 1_665 ?

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
O1 C1 C2 C3 0.2(12) . . . . ?
O2 C1 C2 C3 -178.4(8) . . . . ?
O1 C1 C2 O3 178.6(6) . . . . ?
O2 C1 C2 O3 0.1(9) . . . . ?
O3 C2 C3 C4 -0.2(9) . . . . ?
C1 C2 C3 C4 178.4(7) . . . . ?
C2 C3 C4 C5 -0.3(9) . . . . ?
C3 C4 C5 O3 0.6(9) . . . . ?
C3 C4 C5 C6 174.8(7) . . . . ?
C4 C5 C6 O5 9.3(11) . . . . ?
O3 C5 C6 O5 -176.9(6) . . . . ?
C4 C5 C6 O4 -169.7(8) . . . . ?
O3 C5 C6 O4 4.0(9) . . . . ?
O7 C7 C8 C9 1.4(12) . . . . ?
O6 C7 C8 C9 -179.8(8) . . . . ?
O7 C7 C8 O8 -175.6(6) . . . . ?
O6 C7 C8 O8 3.2(9) . . . . ?
O8 C8 C9 C10 0.1(9) . . . . ?
C7 C8 C9 C10 -177.0(7) . . . . ?
C8 C9 C10 C11 0.3(9) . . . . ?
C9 C10 C11 O8 -0.6(9) . . . . ?
C9 C10 C11 C12 179.7(7) . . . . ?
C10 C11 C12 O10 -4.2(13) . . . . ?
O8 C11 C12 O10 176.1(6) . . . . ?
C10 C11 C12 O9 175.9(8) . . . . ?
O8 C11 C12 O9 -3.7(9) . . . . ?
O12 C13 C14 C15 -178.5(8) . . . . ?
O11 C13 C14 C15 5.1(11) . . . . ?
O12 C13 C14 O13 7.0(9) . . . . ?
O11 C13 C14 O13 -169.4(5) . . . . ?
O13 C14 C15 C16 0.8(8) . . . . ?
C13 C14 C15 C16 -174.0(7) . . . . ?
C14 C15 C16 C17 -1.4(9) . . . . ?
C15 C16 C17 O13 1.5(8) . . . . ?
C15 C16 C17 C18 179.7(7) . . . . ?
C16 C17 C18 O15 3.7(11) . . . . ?
O13 C17 C18 O15 -178.2(6) . . . . ?
C16 C17 C18 O14 -172.4(7) . . . . ?
O13 C17 C18 O14 5.8(9) . . . . ?
O16 C19 C20 C21 -15.0(11) . . . . ?
O17 C19 C20 C21 165.0(7) . . . . ?
O16 C19 C20 O18 170.9(5) . . . . ?
O17 C19 C20 O18 -9.1(8) . . . . ?
O18 C20 C21 C22 -2.6(8) . . . . ?
C19 C20 C21 C22 -176.9(7) . . . . ?
C20 C21 C22 C23 1.6(8) . . . . ?
C21 C22 C23 O18 0.0(8) . . . . ?
C21 C22 C23 C24 -178.0(7) . . . . ?
C22 C23 C24 O20 179.2(8) . . . . ?
O18 C23 C24 O20 1.2(10) . . . . ?
C22 C23 C24 O19 -1.7(13) . . . . ?
O18 C23 C24 O19 -179.7(6) . . . . ?
O2 C1 O1 Zn3 -37.3(12) . . . 1_544 ?
C2 C1 O1 Zn3 144.4(6) . . . 1_544 ?
O1 C1 O2 Zn4 -12.1(10) . . . 2_655 ?
C2 C1 O2 Zn4 166.2(4) . . . 2_655 ?
C4 C5 O3 C2 -0.7(8) . . . . ?
C6 C5 O3 C2 -175.8(6) . . . . ?
C3 C2 O3 C5 0.5(8) . . . . ?
C1 C2 O3 C5 -178.3(6) . . . . ?
O5 C6 O4 Zn2 -14.3(9) . . . . ?
C5 C6 O4 Zn2 164.6(4) . . . . ?
O4 C6 O5 Zn1 57.4(9) . . . . ?
C5 C6 O5 Zn1 -121.5(5) . . . . ?
O7 C7 O6 Zn2 25.2(9) . . . . ?
C8 C7 O6 Zn2 -153.5(4) . . . . ?
O6 C7 O7 Zn1 -19.7(11) . . . . ?
C8 C7 O7 Zn1 158.9(5) . . . . ?
C10 C11 O8 C8 0.6(8) . . . . ?
C12 C11 O8 C8 -179.7(6) . . . . ?
C9 C8 O8 C11 -0.4(8) . . . . ?
C7 C8 O8 C11 177.2(6) . . . . ?
O10 C12 O9 Zn4 0.1(10) . . . 1_445 ?
C11 C12 O9 Zn4 179.9(4) . . . 1_445 ?
O12 C13 O11 Zn2 -34.2(8) . . . . ?
C14 C13 O11 Zn2 142.1(5) . . . . ?
O12 C13 O11 Zn1 91.8(7) . . . . ?
C14 C13 O11 Zn1 -91.9(6) . . . . ?
C16 C17 O13 C14 -1.0(7) . . . . ?
C18 C17 O13 C14 -179.6(5) . . . . ?
C15 C14 O13 C17 0.1(7) . . . . ?
C13 C14 O13 C17 175.9(6) . . . . ?
O15 C18 O14 Zn4 5.4(9) . . . 2_666 ?
C17 C18 O14 Zn4 -178.8(4) . . . 2_666 ?
O14 C18 O15 Zn3 -74.8(9) . . . . ?
C17 C18 O15 Zn3 109.6(6) . . . . ?
O17 C19 O16 Zn3 26.1(11) . . . . ?
C20 C19 O16 Zn3 -153.9(5) . . . . ?
O16 C19 O17 Zn4 26.9(9) . . . . ?
C20 C19 O17 Zn4 -153.1(4) . . . . ?
C22 C23 O18 C20 -1.6(8) . . . . ?
C24 C23 O18 C20 176.8(5) . . . . ?
C21 C20 O18 C23 2.6(7) . . . . ?
C19 C20 O18 C23 178.0(5) . . . . ?
O20 C24 O19 Zn2 2.1(8) . . . 1_565 ?
C23 C24 O19 Zn2 -177.0(6) . . . 1_565 ?
O19 C24 O20 Zn2 -2.2(8) . . . 1_565 ?
C23 C24 O20 Zn2 176.8(6) . . . 1_565 ?

_refine_diff_density_max         0.477
_refine_diff_density_min         -0.575
_refine_diff_density_rms         0.109



