# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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 1842876'
loop_
_audit_author_name
_audit_author_address
'Qun Chen'
;Changzhou University
China
;
_audit_update_record             
;
2018-05-12 deposited with the CCDC.	2020-02-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C102 H68 N18 O27 Zn8'
_chemical_formula_weight         2500.70

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      trigonal
_space_group_IT_number           148
_space_group_name_H-M_alt        'R -3'
_space_group_name_Hall           '-R 3'

_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'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                   22.979(5)
_cell_length_b                   22.979(5)
_cell_length_c                   15.496(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     7086(4)
_cell_formula_units_Z            3
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    2126
_cell_measurement_theta_min      2.82
_cell_measurement_theta_max      23.47

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.758
_exptl_crystal_F_000             3786
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.220
_exptl_absorpt_coefficient_mu    2.088
_shelx_estimated_absorpt_T_min   0.634
_shelx_estimated_absorpt_T_max   0.657
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.634
_exptl_absorpt_correction_T_max  0.657
_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                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            13592
_diffrn_reflns_av_unetI/netI     0.0565
_diffrn_reflns_av_R_equivalents  0.0755
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.666
_diffrn_reflns_theta_max         25.484
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             2921
_reflns_number_gt                2326
_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. 
  
 _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 APEX II'
_computing_cell_refinement       'Bruker APEX II'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0819P)²+4.6185P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         2921
_refine_ls_number_parameters     234
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0825
_refine_ls_R_factor_gt           0.0627
_refine_ls_wR_factor_ref         0.1594
_refine_ls_wR_factor_gt          0.1507
_refine_ls_goodness_of_fit_ref   1.192
_refine_ls_restrained_S_all      1.191
_refine_ls_shift/su_max          0.000
_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
Zn1 Zn 0.3333 0.6667 0.30807(7) 0.0260(3) Uani 1 3 d S T P . .
Zn2 Zn 0.59626(3) 0.24167(3) 0.12866(4) 0.0269(2) Uani 1 1 d . . . . .
C1 C 0.2759(3) 0.5225(3) 0.2932(4) 0.0307(13) Uani 1 1 d . . . . .
C2 C 0.2696(3) 0.4665(3) 0.2358(4) 0.0305(13) Uani 1 1 d . . . . .
C3 C 0.2883(3) 0.4798(3) 0.1494(4) 0.0412(15) Uani 1 1 d . . . . .
H3 H 0.3014 0.5222 0.1273 0.049 Uiso 1 1 calc R U . . .
C4 C 0.2878(3) 0.4318(3) 0.0963(4) 0.0429(15) Uani 1 1 d . . . . .
H4 H 0.3008 0.4417 0.0388 0.051 Uiso 1 1 calc R U . . .
C5 C 0.2682(3) 0.3692(3) 0.1284(4) 0.0309(12) Uani 1 1 d . . . . .
C6 C 0.2475(3) 0.3535(3) 0.2123(4) 0.0445(16) Uani 1 1 d . . . . .
H6 H 0.2329 0.3104 0.2331 0.053 Uiso 1 1 calc R U . . .
C7 C 0.2487(4) 0.4039(3) 0.2676(4) 0.0470(17) Uani 1 1 d . . . . .
H7 H 0.2352 0.3940 0.3249 0.056 Uiso 1 1 calc R U . . .
C8 C 0.2738(3) 0.3183(3) 0.0703(4) 0.0351(13) Uani 1 1 d . U . . .
H8 H 0.2800 0.3357 0.0112 0.042 Uiso 1 1 calc R U . . .
C9 C 0.3330(3) 0.3082(3) 0.0901(4) 0.0345(13) Uani 1 1 d . . . . .
C10 C 0.3834(3) 0.3503(3) 0.1468(4) 0.0453(17) Uani 1 1 d . . . . .
H10 H 0.3801 0.3838 0.1762 0.054 Uiso 1 1 calc R U . . .
C11 C 0.4383(3) 0.3423(3) 0.1592(4) 0.0408(15) Uani 1 1 d . . . . .
H11 H 0.4727 0.3721 0.1951 0.049 Uiso 1 1 calc R U . . .
C12 C 0.4437(3) 0.2919(3) 0.1203(4) 0.0318(13) Uani 1 1 d . . . . .
C13 C 0.3925(3) 0.2488(4) 0.0652(5) 0.0496(18) Uani 1 1 d . . . . .
H13 H 0.3952 0.2143 0.0375 0.060 Uiso 1 1 calc R U . . .
C14 C 0.3388(3) 0.2568(3) 0.0519(4) 0.0474(17) Uani 1 1 d . . . . .
H14 H 0.3046 0.2268 0.0158 0.057 Uiso 1 1 calc R U . . .
C15 C 0.5050(3) 0.2851(3) 0.1326(4) 0.0295(12) Uani 1 1 d . . . . .
C16 C 0.1105(3) 0.1857(3) 0.0420(4) 0.0380(14) Uani 1 1 d . . . . .
H16 H 0.0683 0.1649 0.0163 0.046 Uiso 1 1 calc R U . . .
C17 C 0.1913(3) 0.2041(3) 0.1257(4) 0.0397(15) Uani 1 1 d . . . . .
H17 H 0.2178 0.2008 0.1686 0.048 Uiso 1 1 calc R U . . .
N1 N 0.2105(2) 0.2534(2) 0.0711(3) 0.0299(11) Uani 1 1 d . . . . .
N2 N 0.1604(3) 0.2438(3) 0.0170(3) 0.0467(14) Uani 1 1 d . . . . .
N3 N 0.1273(2) 0.1592(3) 0.1099(3) 0.0353(12) Uani 1 1 d . . . . .
O1 O 0.2517(2) 0.50858(19) 0.3678(2) 0.0364(10) Uani 1 1 d . . . . .
O2 O 0.3069(2) 0.5791(2) 0.2608(2) 0.0377(10) Uani 1 1 d . . . . .
O3 O 0.5101(2) 0.2423(2) 0.0885(3) 0.0378(10) Uani 1 1 d . . . . .
O4 O 0.5484(2) 0.3232(2) 0.1861(3) 0.0384(10) Uani 1 1 d . . . . .
O5 O 0.3333 0.6667 0.4341(4) 0.0217(13) Uani 1 3 d S T P . .
O6 O 0.0000 0.0000 0.0000 0.255(17) Uani 1 6 d S T P . .
H6A H 0.0182 0.0214 -0.0439 0.383 Uiso 0.1667 1 d R U P . .
H6B H 0.0213 0.0057 0.0447 0.383 Uiso 0.1667 1 d R U P . .


_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 O2 1.932(4) . ?
Zn1 O2 1.932(4) 3_565 ?
Zn1 O2 1.932(4) 2_665 ?
Zn1 O5 1.953(6) . ?
Zn1 Zn2 3.0554(11) 5 ?
Zn1 Zn2 3.0555(11) 4_455 ?
Zn1 Zn2 3.0555(11) 6_565 ?
Zn2 O5 1.9577(15) 7_544 ?
Zn2 O1 2.033(4) 7_544 ?
Zn2 N3 2.061(5) 13 ?
Zn2 O3 2.082(4) . ?
Zn2 O4 2.250(4) 2_655 ?
Zn2 Zn1 3.0555(11) 7_544 ?
C1 O2 1.235(7) . ?
C1 O1 1.253(7) . ?
C1 C2 1.511(7) . ?
C2 C7 1.360(9) . ?
C2 C3 1.393(8) . ?
C3 C4 1.373(8) . ?
C3 H3 0.9300 . ?
C4 C5 1.368(8) . ?
C4 H4 0.9300 . ?
C5 C6 1.368(8) . ?
C5 C8 1.532(8) . ?
C6 C7 1.431(9) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 N1 1.473(7) . ?
C8 C9 1.521(8) . ?
C8 H8 0.9800 . ?
C9 C14 1.387(8) . ?
C9 C10 1.389(8) . ?
C10 C11 1.376(9) . ?
C10 H10 0.9300 . ?
C11 C12 1.366(8) . ?
C11 H11 0.9300 . ?
C12 C13 1.388(8) . ?
C12 C15 1.504(8) . ?
C13 C14 1.353(9) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 O3 1.251(7) . ?
C15 O4 1.255(7) . ?
C16 N2 1.310(8) . ?
C16 N3 1.364(8) . ?
C16 H16 0.9300 . ?
C17 N1 1.302(8) . ?
C17 N3 1.330(8) . ?
C17 H17 0.9300 . ?
N1 N2 1.350(7) . ?
N3 Zn2 2.061(5) 13 ?
O1 Zn2 2.033(4) 4_455 ?
O4 Zn2 2.250(4) 3_665 ?
O5 Zn2 1.9577(15) 5 ?
O5 Zn2 1.9578(15) 4_455 ?
O5 Zn2 1.9579(15) 6_565 ?
O6 H6A 0.8200 . ?
O6 H6B 0.8200 . ?

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
O2 Zn1 O2 106.51(13) . 3_565 ?
O2 Zn1 O2 106.51(13) . 2_665 ?
O2 Zn1 O2 106.51(13) 3_565 2_665 ?
O2 Zn1 O5 112.29(12) . . ?
O2 Zn1 O5 112.29(12) 3_565 . ?
O2 Zn1 O5 112.29(12) 2_665 . ?
O2 Zn1 Zn2 107.19(13) . 5 ?
O2 Zn1 Zn2 142.86(12) 3_565 5 ?
O2 Zn1 Zn2 78.21(12) 2_665 5 ?
O5 Zn1 Zn2 38.679(19) . 5 ?
O2 Zn1 Zn2 78.21(12) . 4_455 ?
O2 Zn1 Zn2 107.19(13) 3_565 4_455 ?
O2 Zn1 Zn2 142.87(12) 2_665 4_455 ?
O5 Zn1 Zn2 38.679(19) . 4_455 ?
Zn2 Zn1 Zn2 65.54(3) 5 4_455 ?
O2 Zn1 Zn2 142.87(12) . 6_565 ?
O2 Zn1 Zn2 78.21(12) 3_565 6_565 ?
O2 Zn1 Zn2 107.19(13) 2_665 6_565 ?
O5 Zn1 Zn2 38.681(19) . 6_565 ?
Zn2 Zn1 Zn2 65.54(3) 5 6_565 ?
Zn2 Zn1 Zn2 65.54(3) 4_455 6_565 ?
O5 Zn2 O1 112.05(18) 7_544 7_544 ?
O5 Zn2 N3 147.1(2) 7_544 13 ?
O1 Zn2 N3 98.73(18) 7_544 13 ?
O5 Zn2 O3 101.74(13) 7_544 . ?
O1 Zn2 O3 91.54(16) 7_544 . ?
N3 Zn2 O3 88.36(18) 13 . ?
O5 Zn2 O4 87.78(13) 7_544 2_655 ?
O1 Zn2 O4 87.93(16) 7_544 2_655 ?
N3 Zn2 O4 81.75(17) 13 2_655 ?
O3 Zn2 O4 169.90(16) . 2_655 ?
O5 Zn2 Zn1 38.57(16) 7_544 7_544 ?
O1 Zn2 Zn1 77.39(11) 7_544 7_544 ?
N3 Zn2 Zn1 173.47(14) 13 7_544 ?
O3 Zn2 Zn1 86.51(12) . 7_544 ?
O4 Zn2 Zn1 103.20(11) 2_655 7_544 ?
O2 C1 O1 126.3(5) . . ?
O2 C1 C2 114.7(5) . . ?
O1 C1 C2 118.9(5) . . ?
C7 C2 C3 119.2(5) . . ?
C7 C2 C1 121.4(6) . . ?
C3 C2 C1 119.4(5) . . ?
C4 C3 C2 121.5(6) . . ?
C4 C3 H3 119.2 . . ?
C2 C3 H3 119.2 . . ?
C5 C4 C3 119.5(6) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 H4 120.3 . . ?
C4 C5 C6 120.8(6) . . ?
C4 C5 C8 118.6(5) . . ?
C6 C5 C8 120.6(5) . . ?
C5 C6 C7 119.6(6) . . ?
C5 C6 H6 120.2 . . ?
C7 C6 H6 120.2 . . ?
C2 C7 C6 119.5(6) . . ?
C2 C7 H7 120.3 . . ?
C6 C7 H7 120.3 . . ?
N1 C8 C9 110.4(5) . . ?
N1 C8 C5 110.5(5) . . ?
C9 C8 C5 114.9(5) . . ?
N1 C8 H8 106.9 . . ?
C9 C8 H8 106.9 . . ?
C5 C8 H8 106.9 . . ?
C14 C9 C10 117.4(6) . . ?
C14 C9 C8 121.2(5) . . ?
C10 C9 C8 121.4(5) . . ?
C11 C10 C9 119.8(5) . . ?
C11 C10 H10 120.1 . . ?
C9 C10 H10 120.1 . . ?
C12 C11 C10 122.0(6) . . ?
C12 C11 H11 119.0 . . ?
C10 C11 H11 119.0 . . ?
C11 C12 C13 118.2(6) . . ?
C11 C12 C15 121.3(5) . . ?
C13 C12 C15 120.5(5) . . ?
C14 C13 C12 120.2(6) . . ?
C14 C13 H13 119.9 . . ?
C12 C13 H13 119.9 . . ?
C13 C14 C9 122.3(6) . . ?
C13 C14 H14 118.8 . . ?
C9 C14 H14 118.8 . . ?
O3 C15 O4 123.7(5) . . ?
O3 C15 C12 118.2(5) . . ?
O4 C15 C12 118.1(5) . . ?
N2 C16 N3 112.6(6) . . ?
N2 C16 H16 123.7 . . ?
N3 C16 H16 123.7 . . ?
N1 C17 N3 108.5(5) . . ?
N1 C17 H17 125.7 . . ?
N3 C17 H17 125.7 . . ?
C17 N1 N2 111.8(5) . . ?
C17 N1 C8 128.4(5) . . ?
N2 N1 C8 119.3(5) . . ?
C16 N2 N1 102.9(5) . . ?
C17 N3 C16 104.2(5) . . ?
C17 N3 Zn2 119.4(4) . 13 ?
C16 N3 Zn2 132.2(4) . 13 ?
C1 O1 Zn2 126.7(4) . 4_455 ?
C1 O2 Zn1 131.2(4) . . ?
C15 O3 Zn2 107.8(3) . . ?
C15 O4 Zn2 115.3(3) . 3_665 ?
Zn1 O5 Zn2 102.75(16) . 5 ?
Zn1 O5 Zn2 102.75(16) . 4_455 ?
Zn2 O5 Zn2 115.28(12) 5 4_455 ?
Zn1 O5 Zn2 102.75(16) . 6_565 ?
Zn2 O5 Zn2 115.28(12) 5 6_565 ?
Zn2 O5 Zn2 115.27(12) 4_455 6_565 ?
H6A O6 H6B 121.4 . . ?

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
O2 C1 C2 C7 167.1(6) . . . . ?
O1 C1 C2 C7 -11.1(9) . . . . ?
O2 C1 C2 C3 -10.1(8) . . . . ?
O1 C1 C2 C3 171.7(5) . . . . ?
C7 C2 C3 C4 -1.8(10) . . . . ?
C1 C2 C3 C4 175.5(6) . . . . ?
C2 C3 C4 C5 0.5(10) . . . . ?
C3 C4 C5 C6 1.5(10) . . . . ?
C3 C4 C5 C8 -174.9(6) . . . . ?
C4 C5 C6 C7 -2.1(10) . . . . ?
C8 C5 C6 C7 174.2(6) . . . . ?
C3 C2 C7 C6 1.2(10) . . . . ?
C1 C2 C7 C6 -176.0(6) . . . . ?
C5 C6 C7 C2 0.7(10) . . . . ?
C4 C5 C8 N1 -131.0(6) . . . . ?
C6 C5 C8 N1 52.6(7) . . . . ?
C4 C5 C8 C9 103.2(6) . . . . ?
C6 C5 C8 C9 -73.2(7) . . . . ?
N1 C8 C9 C14 44.3(8) . . . . ?
C5 C8 C9 C14 170.1(6) . . . . ?
N1 C8 C9 C10 -136.0(6) . . . . ?
C5 C8 C9 C10 -10.2(9) . . . . ?
C14 C9 C10 C11 3.7(10) . . . . ?
C8 C9 C10 C11 -176.0(6) . . . . ?
C9 C10 C11 C12 -3.1(11) . . . . ?
C10 C11 C12 C13 1.5(10) . . . . ?
C10 C11 C12 C15 178.2(6) . . . . ?
C11 C12 C13 C14 -0.7(10) . . . . ?
C15 C12 C13 C14 -177.4(6) . . . . ?
C12 C13 C14 C9 1.5(12) . . . . ?
C10 C9 C14 C13 -2.9(11) . . . . ?
C8 C9 C14 C13 176.8(7) . . . . ?
C11 C12 C15 O3 -172.7(5) . . . . ?
C13 C12 C15 O3 3.9(9) . . . . ?
C11 C12 C15 O4 6.7(8) . . . . ?
C13 C12 C15 O4 -176.7(6) . . . . ?
N3 C17 N1 N2 0.3(7) . . . . ?
N3 C17 N1 C8 171.4(5) . . . . ?
C9 C8 N1 C17 42.7(8) . . . . ?
C5 C8 N1 C17 -85.5(7) . . . . ?
C9 C8 N1 N2 -146.8(5) . . . . ?
C5 C8 N1 N2 85.0(6) . . . . ?
N3 C16 N2 N1 0.6(7) . . . . ?
C17 N1 N2 C16 -0.6(7) . . . . ?
C8 N1 N2 C16 -172.6(5) . . . . ?
N1 C17 N3 C16 0.1(7) . . . . ?
N1 C17 N3 Zn2 -159.7(4) . . . 13 ?
N2 C16 N3 C17 -0.5(7) . . . . ?
N2 C16 N3 Zn2 155.6(5) . . . 13 ?
O2 C1 O1 Zn2 -5.7(8) . . . 4_455 ?
C2 C1 O1 Zn2 172.2(4) . . . 4_455 ?
O1 C1 O2 Zn1 2.3(9) . . . . ?
C2 C1 O2 Zn1 -175.8(4) . . . . ?
O4 C15 O3 Zn2 4.9(7) . . . . ?
C12 C15 O3 Zn2 -175.7(4) . . . . ?
O3 C15 O4 Zn2 70.6(7) . . . 3_665 ?
C12 C15 O4 Zn2 -108.8(5) . . . 3_665 ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C17 H17 O3 0.93 2.49 2.954(8) 111.1 13
C17 H17 O3 0.93 2.49 2.954(8) 111.1 13

_refine_diff_density_max         0.869
_refine_diff_density_min         -0.736
_refine_diff_density_rms         0.107

_shelxl_version_number           2014/6

