# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_a
_database_code_depnum_ccdc_archive 'CCDC 1446341'
_audit_update_record             
;
2016-01-10 deposited with the CCDC.
2016-03-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C39 H58 N14 O26 Zn4'
_chemical_formula_weight         1400.55

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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   38.393(17)
_cell_length_b                   14.694(6)
_cell_length_c                   18.872(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 95.907(10)
_cell_angle_gamma                90.00
_cell_volume                     10590(8)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    14573
_cell_measurement_theta_min      2.1152
_cell_measurement_theta_max      27.4855

_exptl_crystal_description       prismatic
_exptl_crystal_colour            'Pale yellow'
_exptl_crystal_size_max          0.2000
_exptl_crystal_size_mid          0.2000
_exptl_crystal_size_min          0.2000
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.757
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5743
_exptl_absorpt_coefficient_mu    1.892
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.4216
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  Saturn724HG
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            36418
_diffrn_reflns_av_R_equivalents  0.1150
_diffrn_reflns_av_sigmaI/netI    0.1113
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_h_max       45
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.12
_diffrn_reflns_theta_max         25.00
_reflns_number_total             9335
_reflns_number_gt                7093
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1038P)²+252.8041P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9335
_refine_ls_number_parameters     738
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1272
_refine_ls_R_factor_gt           0.0990
_refine_ls_wR_factor_ref         0.2576
_refine_ls_wR_factor_gt          0.2357
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_restrained_S_all      1.066
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.43920(4) 0.38771(9) 0.75048(7) 0.0299(3) Uani 1 1 d . . .
Zn3 Zn 0.42777(3) 0.22488(8) 0.47921(6) 0.0210(3) Uani 1 1 d . . .
Zn4 Zn 0.38597(3) 0.09330(7) 0.23351(6) 0.0191(3) Uani 1 1 d . . .
C1 C 0.1600(2) 0.5649(6) 0.3981(5) 0.018(2) Uani 1 1 d . . .
C2 C 0.1414(3) 0.4730(6) 0.4006(5) 0.019(2) Uani 1 1 d . . .
H2A H 0.1570 0.4298 0.4264 0.022 Uiso 1 1 calc R . .
H2B H 0.1210 0.4801 0.4265 0.022 Uiso 1 1 calc R . .
C3 C 0.0727(3) 0.4270(7) 0.2524(6) 0.029(2) Uani 1 1 d . . .
C4 C 0.0955(3) 0.3928(7) 0.3173(5) 0.021(2) Uani 1 1 d . . .
H4A H 0.0832 0.4023 0.3590 0.025 Uiso 1 1 calc R . .
H4B H 0.0988 0.3277 0.3123 0.025 Uiso 1 1 calc R . .
C5 C 0.1080(4) 0.1830(10) 0.1787(7) 0.051(4) Uani 1 1 d . . .
C6 C 0.1313(3) 0.2298(7) 0.1303(5) 0.024(2) Uani 1 1 d . . .
H6A H 0.1310 0.1944 0.0868 0.029 Uiso 1 1 calc R . .
H6B H 0.1212 0.2888 0.1174 0.029 Uiso 1 1 calc R . .
C7 C 0.2219(3) 0.2209(6) 0.0935(5) 0.023(2) Uani 1 1 d . . .
C8 C 0.1949(3) 0.1820(7) 0.1383(6) 0.025(2) Uani 1 1 d . . .
H8A H 0.1838 0.1308 0.1127 0.029 Uiso 1 1 calc R . .
H8B H 0.2073 0.1583 0.1819 0.029 Uiso 1 1 calc R . .
C9 C 0.1569(2) 0.3968(6) 0.2944(5) 0.019(2) Uani 1 1 d . . .
C10 C 0.1752(3) 0.3031(6) 0.2134(5) 0.0176(19) Uani 1 1 d . . .
C11 C 0.2150(3) 0.3775(6) 0.2884(5) 0.0172(19) Uani 1 1 d . . .
C12 C 0.2554(3) 0.4737(6) 0.3642(6) 0.024(2) Uani 1 1 d . . .
H12A H 0.2349 0.4857 0.3889 0.029 Uiso 1 1 d R . .
H12B H 0.2603 0.5280 0.3378 0.029 Uiso 1 1 d R . .
C13 C 0.2791(3) 0.3740(6) 0.2761(5) 0.023(2) Uani 1 1 d . . .
H13A H 0.2842 0.4242 0.2455 0.027 Uiso 1 1 d R . .
H13B H 0.2740 0.3207 0.2466 0.027 Uiso 1 1 d R . .
C14 C 0.2858(3) 0.4528(7) 0.4174(5) 0.024(2) Uani 1 1 d . . .
H14A H 0.2912 0.5059 0.4471 0.029 Uiso 1 1 d R . .
H14B H 0.2796 0.4035 0.4479 0.029 Uiso 1 1 d R . .
C15 C 0.3103(3) 0.3557(7) 0.3297(5) 0.024(2) Uani 1 1 d . . .
H15A H 0.3068 0.2983 0.3534 0.028 Uiso 1 1 d R . .
H15B H 0.3310 0.3495 0.3046 0.028 Uiso 1 1 d R . .
C16 C 0.3487(3) 0.4407(6) 0.4172(5) 0.0166(19) Uani 1 1 d . . .
C17 C 0.3843(3) 0.5093(6) 0.5061(5) 0.018(2) Uani 1 1 d . . .
C18 C 0.4074(2) 0.4150(6) 0.4300(5) 0.0151(19) Uani 1 1 d . . .
C19 C 0.4137(3) 0.2384(6) 0.3284(5) 0.020(2) Uani 1 1 d . . .
C20 C 0.4331(2) 0.3297(6) 0.3376(5) 0.0179(19) Uani 1 1 d . . .
H20A H 0.4565 0.3229 0.3231 0.021 Uiso 1 1 d R . .
H20B H 0.4209 0.3749 0.3068 0.021 Uiso 1 1 d R . .
C21 C 0.4788(3) 0.3569(6) 0.5227(5) 0.022(2) Uani 1 1 d . . .
C22 C 0.4707(3) 0.3907(6) 0.4464(5) 0.022(2) Uani 1 1 d . . .
H22A H 0.4720 0.4566 0.4462 0.026 Uiso 1 1 d R . .
H22B H 0.4884 0.3677 0.4179 0.026 Uiso 1 1 d R . .
C23 C 0.4412(3) 0.5404(6) 0.6542(5) 0.022(2) Uani 1 1 d . . .
C24 C 0.4241(3) 0.5976(6) 0.5910(5) 0.024(2) Uani 1 1 d . . .
H24A H 0.4225 0.6604 0.6063 0.029 Uiso 1 1 d R . .
H24B H 0.4391 0.5960 0.5528 0.029 Uiso 1 1 d R . .
C25 C 0.3389(3) 0.6746(6) 0.5704(5) 0.022(2) Uani 1 1 d . . .
C26 C 0.3593(3) 0.5929(6) 0.6016(5) 0.021(2) Uani 1 1 d . . .
H26A H 0.3677 0.6062 0.6508 0.025 Uiso 1 1 d R . .
H26B H 0.3435 0.5414 0.6017 0.025 Uiso 1 1 d R . .
C27 C 0.3458(3) 0.0240(6) 0.3535(5) 0.023(2) Uani 1 1 d . . .
H27A H 0.3673 -0.0021 0.3688 0.027 Uiso 1 1 d R . .
C28 C 0.3126(3) 0.1176(7) 0.2772(5) 0.026(2) Uani 1 1 d . . .
H28A H 0.3109 0.1573 0.2387 0.032 Uiso 1 1 d R . .
C29 C 0.3172(3) 0.0042(6) 0.3913(5) 0.023(2) Uani 1 1 d . . .
H29A H 0.3196 -0.0351 0.4301 0.027 Uiso 1 1 d R . .
C30 C 0.2827(3) 0.1026(7) 0.3111(5) 0.025(2) Uani 1 1 d . . .
H30A H 0.2616 0.1305 0.2952 0.029 Uiso 1 1 d R . .
C31 C 0.2854(3) 0.0439(7) 0.3700(5) 0.023(2) Uani 1 1 d . . .
C32 C 0.2542(3) 0.0218(7) 0.4104(6) 0.027(2) Uani 1 1 d . . .
H32A H 0.2611 0.0329 0.4605 0.033 Uiso 1 1 d R . .
H32B H 0.2497 -0.0430 0.4052 0.033 Uiso 1 1 d R . .
C33 C 0.2195(3) 0.0710(7) 0.3909(6) 0.028(2) Uani 1 1 d . . .
H33A H 0.2017 0.0420 0.4161 0.033 Uiso 1 1 d R . .
H33B H 0.2128 0.0627 0.3403 0.033 Uiso 1 1 d R . .
C34 C 0.2192(3) 0.1744(7) 0.4073(6) 0.029(2) Uani 1 1 d . . .
H34A H 0.2375 0.1880 0.4453 0.034 Uiso 1 1 d R . .
H34B H 0.2243 0.2080 0.3654 0.034 Uiso 1 1 d R . .
C35 C 0.1845(3) 0.2049(6) 0.4294(5) 0.022(2) Uani 1 1 d . . .
C36 C 0.1821(3) 0.2579(6) 0.4907(6) 0.024(2) Uani 1 1 d . . .
H36A H 0.2025 0.2790 0.5163 0.028 Uiso 1 1 d R . .
C37 C 0.1527(3) 0.1778(7) 0.3925(5) 0.022(2) Uani 1 1 d . . .
H37A H 0.1525 0.1453 0.3501 0.026 Uiso 1 1 d R . .
C38 C 0.1507(3) 0.2789(6) 0.5138(5) 0.022(2) Uani 1 1 d . . .
H38A H 0.1502 0.3150 0.5542 0.026 Uiso 1 1 d R . .
C39 C 0.1215(3) 0.1995(7) 0.4194(5) 0.023(2) Uani 1 1 d . . .
H39A H 0.1008 0.1791 0.3948 0.028 Uiso 1 1 d R . .
O1 O 0.14919(18) 0.6225(4) 0.3516(3) 0.0174(14) Uani 1 1 d . . .
O2 O 0.18489(18) 0.5796(4) 0.4463(3) 0.0206(14) Uani 1 1 d . . .
O3 O 0.0441(2) 0.3832(6) 0.2368(4) 0.041(2) Uani 1 1 d . . .
O4 O 0.08147(19) 0.4962(5) 0.2184(4) 0.0261(16) Uani 1 1 d . . .
O5 O 0.0743(3) 0.1951(9) 0.1658(7) 0.082(4) Uani 1 1 d . . .
O6 O 0.1203(4) 0.1328(8) 0.2284(5) 0.079(4) Uani 1 1 d . . .
O7 O 0.21604(19) 0.2933(4) 0.0595(4) 0.0248(15) Uani 1 1 d . . .
O8 O 0.2483(2) 0.1725(5) 0.0918(5) 0.0333(19) Uani 1 1 d . . .
O9 O 0.5051(2) 0.3913(5) 0.5566(4) 0.0355(19) Uani 1 1 d . . .
O10 O 0.45957(19) 0.2962(5) 0.5475(4) 0.0253(15) Uani 1 1 d . . .
O11 O 0.4040(2) 0.2185(5) 0.2637(4) 0.0263(16) Uani 1 1 d . . .
O12 O 0.40994(19) 0.1875(4) 0.3802(4) 0.0232(15) Uani 1 1 d . . .
O13 O 0.46940(18) 0.5716(5) 0.6845(4) 0.0255(16) Uani 1 1 d . . .
O14 O 0.4254(2) 0.4692(5) 0.6693(4) 0.0278(17) Uani 1 1 d . . .
O15 O 0.30889(19) 0.6861(5) 0.5920(4) 0.0256(16) Uani 1 1 d . . .
O16 O 0.3515(2) 0.7244(5) 0.5268(4) 0.0295(17) Uani 1 1 d . . .
O17 O 0.4608(2) 0.2848(5) 0.7005(4) 0.038(2) Uani 1 1 d . . .
H17A H 0.4558 0.2874 0.6557 0.056 Uiso 1 1 d R . .
H17B H 0.4548 0.2333 0.7158 0.056 Uiso 1 1 d R . .
O18 O 0.4728(3) 0.4539(6) 0.8158(4) 0.046(2) Uani 1 1 d . . .
H18A H 0.4799 0.4336 0.8569 0.068 Uiso 1 1 d R . .
H18B H 0.4911 0.4807 0.8051 0.068 Uiso 1 1 d R . .
O19 O 0.43718(19) 0.0977(5) 0.5195(4) 0.0271(16) Uani 1 1 d . . .
H19B H 0.4180 0.0770 0.5319 0.041 Uiso 1 1 d R . .
H19A H 0.4428 0.0664 0.4845 0.041 Uiso 1 1 d R . .
O20 O 0.4275(2) 0.1025(5) 0.1575(4) 0.0303(17) Uani 1 1 d . . .
H20C H 0.4183 0.1093 0.1149 0.046 Uiso 1 1 d R . .
H20D H 0.4402 0.0550 0.1598 0.046 Uiso 1 1 d R . .
N1 N 0.1302(2) 0.4364(5) 0.3296(4) 0.0210(18) Uani 1 1 d . . .
N2 N 0.1671(2) 0.2433(6) 0.1582(4) 0.0228(18) Uani 1 1 d . . .
N3 N 0.1473(2) 0.3426(5) 0.2397(4) 0.0171(16) Uani 1 1 d . . .
N4 N 0.2090(2) 0.3148(5) 0.2358(4) 0.0198(17) Uani 1 1 d . . .
N5 N 0.1895(2) 0.4189(5) 0.3206(4) 0.0200(17) Uani 1 1 d . . .
N6 N 0.2481(2) 0.3970(5) 0.3145(5) 0.0221(18) Uani 1 1 d . . .
N7 N 0.3166(2) 0.4272(5) 0.3837(5) 0.0216(18) Uani 1 1 d . . .
N8 N 0.3764(2) 0.3980(5) 0.3925(4) 0.0153(16) Uani 1 1 d . . .
N9 N 0.3513(2) 0.4960(5) 0.4763(4) 0.0169(16) Uani 1 1 d . . .
N10 N 0.41374(19) 0.4706(5) 0.4863(4) 0.0150(16) Uani 1 1 d . . .
N11 N 0.3894(2) 0.5668(5) 0.5636(4) 0.0170(16) Uani 1 1 d . . .
N12 N 0.4357(2) 0.3625(5) 0.4131(4) 0.0173(16) Uani 1 1 d . . .
N13 N 0.1196(2) 0.2488(5) 0.4793(4) 0.0177(17) Uani 1 1 d . . .
N14 N 0.3437(2) 0.0790(5) 0.2962(4) 0.0183(17) Uani 1 1 d . . .
Zn2 Zn 0.20815(3) 0.30125(7) -0.04664(6) 0.0210(3) Uani 1 1 d . . .
O3W O 0.4554(3) -0.0009(8) 0.4127(5) 0.064(3) Uani 1 1 d . . .
O5W O 0.4887(2) 0.1811(6) 0.4322(5) 0.043(2) Uani 1 1 d . . .
H3WA H 0.4419 -0.0006 0.3742 0.064 Uiso 1 1 d R . .
H3WB H 0.4761 -0.0119 0.4025 0.064 Uiso 1 1 d R . .
H5WA H 0.4980 0.1992 0.3957 0.064 Uiso 1 1 d R . .
H5WB H 0.5044 0.1809 0.4675 0.064 Uiso 1 1 d R . .
O1W O 0.4825(4) 0.0400(9) 0.6358(8) 0.097(4) Uiso 1 1 d . . .
H1WA H 0.4691 0.0579 0.5999 0.146 Uiso 1 1 d R . .
H1WB H 0.4753 0.0627 0.6730 0.146 Uiso 1 1 d R . .
O4W O 0.4029(3) 0.1441(7) 0.0239(5) 0.056(3) Uani 1 1 d . . .
H4WA H 0.4109 0.1719 -0.0103 0.084 Uiso 1 1 d R . .
H4WB H 0.3851 0.1747 0.0332 0.084 Uiso 1 1 d R . .
O6W O 0.4795(2) 0.2408(5) 0.1868(4) 0.0321(18) Uani 1 1 d . . .
H6WA H 0.4729 0.2960 0.1842 0.048 Uiso 1 1 d R . .
H6WB H 0.4617 0.2069 0.1769 0.048 Uiso 1 1 d R . .
O2W O 0.4562(3) -0.1930(8) 0.4456(6) 0.075(3) Uiso 1 1 d . . .
H2WA H 0.4555 -0.1372 0.4337 0.112 Uiso 1 1 d R . .
H2WB H 0.4468 -0.2242 0.4108 0.112 Uiso 1 1 d R . .


_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 O18 1.950(8) . ?
Zn1 O14 1.974(7) . ?
Zn1 O17 2.007(8) . ?
Zn1 O5 2.100(12) 7_556 ?
Zn1 O6 2.379(14) 7_556 ?
Zn1 C5 2.578(12) 7_556 ?
Zn3 O10 1.981(7) . ?
Zn3 O12 2.000(7) . ?
Zn3 O19 2.036(7) . ?
Zn3 N13 2.090(8) 7_556 ?
Zn3 N12 2.412(8) . ?
Zn4 O11 2.027(7) . ?
Zn4 O1 2.034(7) 4_545 ?
Zn4 O4 2.046(7) 4_545 ?
Zn4 N14 2.116(8) . ?
Zn4 O20 2.255(8) . ?
C1 O1 1.259(11) . ?
C1 O2 1.268(12) . ?
C1 C2 1.532(12) . ?
C2 N1 1.466(12) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 O4 1.267(13) . ?
C3 O3 1.280(13) . ?
C3 C4 1.516(14) . ?
C4 N1 1.474(12) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 O6 1.248(19) . ?
C5 O5 1.30(2) . ?
C5 C6 1.508(15) . ?
C5 Zn1 2.578(12) 7_556 ?
C6 N2 1.437(13) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 O8 1.244(13) . ?
C7 O7 1.251(12) . ?
C7 C8 1.514(14) . ?
C8 N2 1.475(13) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 N3 1.325(13) . ?
C9 N5 1.337(13) . ?
C9 N1 1.404(13) . ?
C10 N4 1.334(13) . ?
C10 N3 1.356(12) . ?
C10 N2 1.373(12) . ?
C11 N6 1.345(12) . ?
C11 N5 1.349(13) . ?
C11 N4 1.357(12) . ?
C12 N6 1.476(12) . ?
C12 C14 1.492(14) . ?
C12 H12A 0.9693 . ?
C12 H12B 0.9702 . ?
C13 N6 1.494(13) . ?
C13 C15 1.512(13) . ?
C13 H13A 0.9701 . ?
C13 H13B 0.9700 . ?
C14 N7 1.448(13) . ?
C14 H14A 0.9697 . ?
C14 H14B 0.9700 . ?
C15 N7 1.466(12) . ?
C15 H15A 0.9698 . ?
C15 H15B 0.9702 . ?
C16 N7 1.343(12) . ?
C16 N8 1.358(12) . ?
C16 N9 1.375(12) . ?
C17 N9 1.347(12) . ?
C17 N10 1.350(13) . ?
C17 N11 1.373(12) . ?
C18 N10 1.343(12) . ?
C18 N8 1.343(12) . ?
C18 N12 1.394(12) . ?
C19 O12 1.250(12) . ?
C19 O11 1.273(12) . ?
C19 C20 1.536(12) . ?
C20 N12 1.497(11) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 O9 1.248(12) . ?
C21 O10 1.275(12) . ?
C21 C22 1.524(14) . ?
C22 N12 1.484(12) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9702 . ?
C23 O14 1.255(12) . ?
C23 O13 1.258(12) . ?
C23 C24 1.549(13) . ?
C24 N11 1.451(12) . ?
C24 H24A 0.9702 . ?
C24 H24B 0.9699 . ?
C25 O16 1.236(13) . ?
C25 O15 1.272(13) . ?
C25 C26 1.519(13) . ?
C25 Zn2 2.600(10) 4 ?
C26 N11 1.472(12) . ?
C26 H26A 0.9701 . ?
C26 H26B 0.9701 . ?
C27 N14 1.346(13) . ?
C27 C29 1.399(14) . ?
C27 H27A 0.9297 . ?
C28 N14 1.335(13) . ?
C28 C30 1.387(15) . ?
C28 H28A 0.9299 . ?
C29 C31 1.374(15) . ?
C29 H29A 0.9300 . ?
C30 C31 1.403(15) . ?
C30 H30A 0.9300 . ?
C31 C32 1.520(14) . ?
C32 C33 1.527(15) . ?
C32 H32A 0.9699 . ?
C32 H32B 0.9700 . ?
C33 C34 1.550(14) . ?
C33 H33A 0.9698 . ?
C33 H33B 0.9700 . ?
C34 C35 1.506(14) . ?
C34 H34A 0.9699 . ?
C34 H34B 0.9699 . ?
C35 C37 1.400(14) . ?
C35 C36 1.407(15) . ?
C36 C38 1.359(15) . ?
C36 H36A 0.9299 . ?
C37 C39 1.383(15) . ?
C37 H37A 0.9300 . ?
C38 N13 1.370(13) . ?
C38 H38A 0.9299 . ?
C39 N13 1.352(12) . ?
C39 H39A 0.9301 . ?
O1 Zn4 2.034(7) 4 ?
O2 Zn2 1.963(7) 6_566 ?
O4 Zn4 2.046(7) 4 ?
O5 Zn1 2.100(12) 7_556 ?
O6 Zn1 2.379(14) 7_556 ?
O7 Zn2 1.998(7) . ?
O8 Zn2 1.990(7) 7 ?
O15 Zn2 1.977(7) 4 ?
O16 Zn2 2.615(8) 4 ?
O17 H17A 0.8498 . ?
O17 H17B 0.8503 . ?
O18 H18A 0.8501 . ?
O18 H18B 0.8501 . ?
O19 H19B 0.8499 . ?
O19 H19A 0.8502 . ?
O20 H20C 0.8500 . ?
O20 H20D 0.8502 . ?
N13 Zn3 2.090(8) 7_556 ?
Zn2 O2 1.963(7) 6_565 ?
Zn2 O15 1.977(7) 4_545 ?
Zn2 O8 1.990(7) 7 ?
Zn2 C25 2.600(10) 4_545 ?
Zn2 O16 2.615(8) 4_545 ?
O3W H3WA 0.8492 . ?
O3W H3WB 0.8520 . ?
O5W H5WA 0.8497 . ?
O5W H5WB 0.8496 . ?
O1W H1WA 0.8501 . ?
O1W H1WB 0.8502 . ?
O4W H4WA 0.8500 . ?
O4W H4WB 0.8501 . ?
O6W H6WA 0.8500 . ?
O6W H6WB 0.8500 . ?
O2W H2WA 0.8500 . ?
O2W H2WB 0.8499 . ?

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
O18 Zn1 O14 107.2(3) . . ?
O18 Zn1 O17 113.2(4) . . ?
O14 Zn1 O17 100.6(3) . . ?
O18 Zn1 O5 90.6(4) . 7_556 ?
O14 Zn1 O5 150.3(5) . 7_556 ?
O17 Zn1 O5 93.6(4) . 7_556 ?
O18 Zn1 O6 122.8(4) . 7_556 ?
O14 Zn1 O6 91.2(4) . 7_556 ?
O17 Zn1 O6 115.7(4) . 7_556 ?
O5 Zn1 O6 59.0(5) 7_556 7_556 ?
O18 Zn1 C5 109.1(4) . 7_556 ?
O14 Zn1 C5 120.1(5) . 7_556 ?
O17 Zn1 C5 106.6(4) . 7_556 ?
O5 Zn1 C5 30.2(5) 7_556 7_556 ?
O6 Zn1 C5 28.8(5) 7_556 7_556 ?
O10 Zn3 O12 151.8(3) . . ?
O10 Zn3 O19 99.7(3) . . ?
O12 Zn3 O19 97.3(3) . . ?
O10 Zn3 N13 99.3(3) . 7_556 ?
O12 Zn3 N13 100.0(3) . 7_556 ?
O19 Zn3 N13 99.1(3) . 7_556 ?
O10 Zn3 N12 77.9(3) . . ?
O12 Zn3 N12 78.2(3) . . ?
O19 Zn3 N12 159.4(3) . . ?
N13 Zn3 N12 101.5(3) 7_556 . ?
O11 Zn4 O1 102.1(3) . 4_545 ?
O11 Zn4 O4 109.4(3) . 4_545 ?
O1 Zn4 O4 145.4(3) 4_545 4_545 ?
O11 Zn4 N14 101.1(3) . . ?
O1 Zn4 N14 88.7(3) 4_545 . ?
O4 Zn4 N14 98.7(3) 4_545 . ?
O11 Zn4 O20 83.2(3) . . ?
O1 Zn4 O20 86.6(3) 4_545 . ?
O4 Zn4 O20 83.4(3) 4_545 . ?
N14 Zn4 O20 174.2(3) . . ?
O1 C1 O2 123.8(9) . . ?
O1 C1 C2 119.5(8) . . ?
O2 C1 C2 116.6(8) . . ?
N1 C2 C1 112.9(7) . . ?
N1 C2 H2A 109.0 . . ?
C1 C2 H2A 109.0 . . ?
N1 C2 H2B 109.0 . . ?
C1 C2 H2B 109.0 . . ?
H2A C2 H2B 107.8 . . ?
O4 C3 O3 123.6(10) . . ?
O4 C3 C4 120.9(9) . . ?
O3 C3 C4 115.4(9) . . ?
N1 C4 C3 114.9(8) . . ?
N1 C4 H4A 108.5 . . ?
C3 C4 H4A 108.5 . . ?
N1 C4 H4B 108.5 . . ?
C3 C4 H4B 108.5 . . ?
H4A C4 H4B 107.5 . . ?
O6 C5 O5 120.8(13) . . ?
O6 C5 C6 121.5(14) . . ?
O5 C5 C6 117.7(14) . . ?
O6 C5 Zn1 66.7(8) . 7_556 ?
O5 C5 Zn1 54.1(7) . 7_556 ?
C6 C5 Zn1 171.8(12) . 7_556 ?
N2 C6 C5 116.5(10) . . ?
N2 C6 H6A 108.2 . . ?
C5 C6 H6A 108.2 . . ?
N2 C6 H6B 108.2 . . ?
C5 C6 H6B 108.2 . . ?
H6A C6 H6B 107.3 . . ?
O8 C7 O7 125.3(10) . . ?
O8 C7 C8 113.9(9) . . ?
O7 C7 C8 120.8(9) . . ?
N2 C8 C7 117.7(8) . . ?
N2 C8 H8A 107.9 . . ?
C7 C8 H8A 107.9 . . ?
N2 C8 H8B 107.9 . . ?
C7 C8 H8B 107.9 . . ?
H8A C8 H8B 107.2 . . ?
N3 C9 N5 127.5(9) . . ?
N3 C9 N1 117.4(8) . . ?
N5 C9 N1 115.1(9) . . ?
N4 C10 N3 127.3(8) . . ?
N4 C10 N2 117.3(8) . . ?
N3 C10 N2 115.3(9) . . ?
N6 C11 N5 116.2(8) . . ?
N6 C11 N4 119.7(9) . . ?
N5 C11 N4 124.0(9) . . ?
N6 C12 C14 110.8(8) . . ?
N6 C12 H12A 109.5 . . ?
C14 C12 H12A 109.4 . . ?
N6 C12 H12B 109.5 . . ?
C14 C12 H12B 109.5 . . ?
H12A C12 H12B 108.0 . . ?
N6 C13 C15 109.5(8) . . ?
N6 C13 H13A 109.8 . . ?
C15 C13 H13A 109.8 . . ?
N6 C13 H13B 109.7 . . ?
C15 C13 H13B 109.8 . . ?
H13A C13 H13B 108.2 . . ?
N7 C14 C12 112.1(9) . . ?
N7 C14 H14A 109.2 . . ?
C12 C14 H14A 109.2 . . ?
N7 C14 H14B 109.2 . . ?
C12 C14 H14B 109.2 . . ?
H14A C14 H14B 107.9 . . ?
N7 C15 C13 113.4(8) . . ?
N7 C15 H15A 108.9 . . ?
C13 C15 H15A 108.9 . . ?
N7 C15 H15B 108.9 . . ?
C13 C15 H15B 108.9 . . ?
H15A C15 H15B 107.7 . . ?
N7 C16 N8 119.0(8) . . ?
N7 C16 N9 117.1(8) . . ?
N8 C16 N9 123.9(8) . . ?
N9 C17 N10 127.0(8) . . ?
N9 C17 N11 118.0(9) . . ?
N10 C17 N11 115.0(8) . . ?
N10 C18 N8 127.4(8) . . ?
N10 C18 N12 115.9(8) . . ?
N8 C18 N12 116.4(8) . . ?
O12 C19 O11 124.4(9) . . ?
O12 C19 C20 121.9(8) . . ?
O11 C19 C20 113.5(8) . . ?
N12 C20 C19 111.8(7) . . ?
N12 C20 H20A 109.2 . . ?
C19 C20 H20A 109.3 . . ?
N12 C20 H20B 109.3 . . ?
C19 C20 H20B 109.3 . . ?
H20A C20 H20B 107.9 . . ?
O9 C21 O10 124.3(10) . . ?
O9 C21 C22 115.3(9) . . ?
O10 C21 C22 120.4(9) . . ?
N12 C22 C21 113.4(8) . . ?
N12 C22 H22A 108.9 . . ?
C21 C22 H22A 108.9 . . ?
N12 C22 H22B 108.9 . . ?
C21 C22 H22B 108.9 . . ?
H22A C22 H22B 107.7 . . ?
O14 C23 O13 127.9(9) . . ?
O14 C23 C24 116.8(9) . . ?
O13 C23 C24 115.4(9) . . ?
N11 C24 C23 114.0(8) . . ?
N11 C24 H24A 108.7 . . ?
C23 C24 H24A 108.8 . . ?
N11 C24 H24B 108.8 . . ?
C23 C24 H24B 108.8 . . ?
H24A C24 H24B 107.7 . . ?
O16 C25 O15 124.3(9) . . ?
O16 C25 C26 120.2(10) . . ?
O15 C25 C26 115.5(9) . . ?
O16 C25 Zn2 76.9(6) . 4 ?
O15 C25 Zn2 47.5(5) . 4 ?
C26 C25 Zn2 162.6(8) . 4 ?
N11 C26 C25 114.7(8) . . ?
N11 C26 H26A 108.6 . . ?
C25 C26 H26A 108.6 . . ?
N11 C26 H26B 108.6 . . ?
C25 C26 H26B 108.6 . . ?
H26A C26 H26B 107.6 . . ?
N14 C27 C29 123.3(9) . . ?
N14 C27 H27A 118.3 . . ?
C29 C27 H27A 118.4 . . ?
N14 C28 C30 124.5(10) . . ?
N14 C28 H28A 117.7 . . ?
C30 C28 H28A 117.7 . . ?
C31 C29 C27 118.9(9) . . ?
C31 C29 H29A 120.6 . . ?
C27 C29 H29A 120.6 . . ?
C28 C30 C31 117.8(10) . . ?
C28 C30 H30A 121.0 . . ?
C31 C30 H30A 121.1 . . ?
C29 C31 C30 118.8(9) . . ?
C29 C31 C32 119.0(9) . . ?
C30 C31 C32 122.2(10) . . ?
C31 C32 C33 119.4(9) . . ?
C31 C32 H32A 107.5 . . ?
C33 C32 H32A 107.5 . . ?
C31 C32 H32B 107.5 . . ?
C33 C32 H32B 107.5 . . ?
H32A C32 H32B 107.0 . . ?
C32 C33 C34 116.0(9) . . ?
C32 C33 H33A 108.2 . . ?
C34 C33 H33A 108.3 . . ?
C32 C33 H33B 108.3 . . ?
C34 C33 H33B 108.3 . . ?
H33A C33 H33B 107.4 . . ?
C35 C34 C33 111.7(8) . . ?
C35 C34 H34A 109.2 . . ?
C33 C34 H34A 109.3 . . ?
C35 C34 H34B 109.3 . . ?
C33 C34 H34B 109.3 . . ?
H34A C34 H34B 107.9 . . ?
C37 C35 C36 116.0(9) . . ?
C37 C35 C34 122.0(9) . . ?
C36 C35 C34 121.8(10) . . ?
C38 C36 C35 121.7(10) . . ?
C38 C36 H36A 119.1 . . ?
C35 C36 H36A 119.2 . . ?
C39 C37 C35 119.6(9) . . ?
C39 C37 H37A 120.1 . . ?
C35 C37 H37A 120.2 . . ?
C36 C38 N13 122.1(9) . . ?
C36 C38 H38A 118.9 . . ?
N13 C38 H38A 119.0 . . ?
N13 C39 C37 123.7(9) . . ?
N13 C39 H39A 118.2 . . ?
C37 C39 H39A 118.2 . . ?
C1 O1 Zn4 123.6(6) . 4 ?
C1 O2 Zn2 120.3(6) . 6_566 ?
C3 O4 Zn4 121.1(7) . 4 ?
C5 O5 Zn1 95.6(10) . 7_556 ?
C5 O6 Zn1 84.5(10) . 7_556 ?
C7 O7 Zn2 124.4(6) . . ?
C7 O8 Zn2 128.6(7) . 7 ?
C21 O10 Zn3 118.1(6) . . ?
C19 O11 Zn4 122.4(6) . . ?
C19 O12 Zn3 120.6(6) . . ?
C23 O14 Zn1 125.7(7) . . ?
C25 O15 Zn2 104.2(6) . 4 ?
C25 O16 Zn2 75.6(6) . 4 ?
Zn1 O17 H17A 111.7 . . ?
Zn1 O17 H17B 111.7 . . ?
H17A O17 H17B 109.7 . . ?
Zn1 O18 H18A 122.1 . . ?
Zn1 O18 H18B 126.3 . . ?
H18A O18 H18B 100.5 . . ?
Zn3 O19 H19B 107.9 . . ?
Zn3 O19 H19A 104.8 . . ?
H19B O19 H19A 108.3 . . ?
Zn4 O20 H20C 110.8 . . ?
Zn4 O20 H20D 111.0 . . ?
H20C O20 H20D 109.0 . . ?
C9 N1 C2 115.2(8) . . ?
C9 N1 C4 115.9(8) . . ?
C2 N1 C4 118.5(8) . . ?
C10 N2 C6 120.0(8) . . ?
C10 N2 C8 118.1(9) . . ?
C6 N2 C8 120.9(8) . . ?
C9 N3 C10 112.1(8) . . ?
C10 N4 C11 114.0(8) . . ?
C9 N5 C11 114.7(8) . . ?
C11 N6 C12 120.4(8) . . ?
C11 N6 C13 123.0(8) . . ?
C12 N6 C13 111.9(8) . . ?
C16 N7 C14 120.5(8) . . ?
C16 N7 C15 120.6(8) . . ?
C14 N7 C15 114.2(8) . . ?
C18 N8 C16 114.6(8) . . ?
C17 N9 C16 114.2(8) . . ?
C18 N10 C17 112.8(8) . . ?
C17 N11 C24 121.6(8) . . ?
C17 N11 C26 119.4(8) . . ?
C24 N11 C26 118.8(8) . . ?
C18 N12 C22 116.1(7) . . ?
C18 N12 C20 114.8(8) . . ?
C22 N12 C20 117.5(7) . . ?
C18 N12 Zn3 101.7(5) . . ?
C22 N12 Zn3 99.9(5) . . ?
C20 N12 Zn3 102.9(5) . . ?
C39 N13 C38 116.8(9) . . ?
C39 N13 Zn3 122.5(6) . 7_556 ?
C38 N13 Zn3 120.7(6) . 7_556 ?
C28 N14 C27 116.6(9) . . ?
C28 N14 Zn4 121.5(7) . . ?
C27 N14 Zn4 121.6(6) . . ?
O2 Zn2 O15 127.3(3) 6_565 4_545 ?
O2 Zn2 O8 101.2(3) 6_565 7 ?
O15 Zn2 O8 103.6(3) 4_545 7 ?
O2 Zn2 O7 98.1(3) 6_565 . ?
O15 Zn2 O7 113.2(3) 4_545 . ?
O8 Zn2 O7 113.2(3) 7 . ?
O2 Zn2 C25 108.8(3) 6_565 4_545 ?
O15 Zn2 C25 28.3(3) 4_545 4_545 ?
O8 Zn2 C25 131.6(3) 7 4_545 ?
O7 Zn2 C25 99.3(3) . 4_545 ?
O2 Zn2 O16 89.7(3) 6_565 4_545 ?
O15 Zn2 O16 55.7(3) 4_545 4_545 ?
O8 Zn2 O16 158.7(3) 7 4_545 ?
O7 Zn2 O16 82.9(3) . 4_545 ?
C25 Zn2 O16 27.4(3) 4_545 4_545 ?
H3WA O3W H3WB 108.1 . . ?
H5WA O5W H5WB 108.4 . . ?
H1WA O1W H1WB 108.3 . . ?
H4WA O4W H4WB 105.3 . . ?
H6WA O6W H6WB 108.7 . . ?
H2WA O2W H2WB 108.5 . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         2.246
_refine_diff_density_min         -0.980
_refine_diff_density_rms         0.217



