#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:18:41 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180499 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/68/7216816.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7216816
loop_
_publ_author_name
'Du, Peng'
'Yang, Yan'
'Kang, Da-Wei'
'Yang, Jin'
'Liu, Ying-Ying'
'Ma, Jian-Fang'
_publ_section_title
;
 Four cluster-containing highly connected coordination networks:
 syntheses, structures, and properties
;
_journal_issue                   28
_journal_name_full               CrystEngComm
_journal_page_first              6372
_journal_paper_doi               10.1039/c4ce00098f
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C71 H50 N9 O15 Zn4'
_chemical_formula_sum            'C71 H50 N9 O15 Zn4'
_chemical_formula_weight         1530.68
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 114.765(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.713(3)
_cell_length_b                   10.1860(6)
_cell_length_c                   26.764(3)
_cell_measurement_reflns_used    3597
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.3017
_cell_measurement_theta_min      2.6910
_cell_volume                     6612.7(13)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.2375
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  multi-scan
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0909
_diffrn_reflns_av_sigmaI/netI    0.1545
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            24995
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.70
_exptl_absorpt_coefficient_mu    1.509
_exptl_absorpt_correction_T_max  0.9718
_exptl_absorpt_correction_T_min  0.9632
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.537
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             3116
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.799
_refine_diff_density_min         -0.760
_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.993
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     892
_refine_ls_number_reflns         11612
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.1439
_refine_ls_R_factor_gt           0.0693
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0473P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1325
_refine_ls_wR_factor_ref         0.1653
_reflns_number_gt                6344
_reflns_number_total             11612
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c4ce00098f2.cif
_cod_data_source_block           Compound-1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        6612.7(10)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7216816
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
Zn1 Zn 0.17446(3) -0.06977(8) 0.61666(3) 0.0309(2) Uani 1 1 d .
Zn2 Zn 0.29979(4) -0.03396(8) 0.67957(4) 0.0413(3) Uani 1 1 d .
Zn3 Zn 0.20651(3) 0.11668(8) 0.71472(3) 0.0323(2) Uani 1 1 d .
Zn4 Zn 0.24511(3) -0.18549(8) 0.74090(4) 0.0354(2) Uani 1 1 d .
C1 C 0.1682(3) -0.4348(7) 0.5581(3) 0.0306(17) Uani 1 1 d .
C2 C 0.1787(3) -0.5483(6) 0.5892(3) 0.0309(17) Uani 1 1 d .
H2 H 0.1929 -0.5426 0.6273 0.037 Uiso 1 1 calc R
C3 C 0.1685(3) -0.6691(6) 0.5645(3) 0.0270(16) Uani 1 1 d .
C4 C 0.1478(3) -0.6777(7) 0.5081(3) 0.0342(18) Uani 1 1 d .
H4 H 0.1410 -0.7597 0.4912 0.041 Uiso 1 1 calc R
C5 C 0.1371(3) -0.5660(7) 0.4764(3) 0.0361(19) Uani 1 1 d .
C6 C 0.1472(3) -0.4438(7) 0.5023(3) 0.0397(19) Uani 1 1 d .
H6 H 0.1395 -0.3676 0.4812 0.048 Uiso 1 1 calc R
C7 C 0.1768(3) -0.3043(7) 0.5868(3) 0.0357(19) Uani 1 1 d .
C8 C 0.1786(3) -0.7901(7) 0.5998(3) 0.0319(17) Uani 1 1 d .
C9 C 0.1026(3) -0.6806(7) 0.3912(3) 0.0398(19) Uani 1 1 d .
H9A H 0.0773 -0.7293 0.4017 0.048 Uiso 1 1 calc R
H9B H 0.1352 -0.7341 0.3996 0.048 Uiso 1 1 calc R
C10 C 0.0759(3) -0.6515(7) 0.3312(3) 0.0321(17) Uani 1 1 d .
C11 C 0.0429(3) -0.7440(7) 0.2954(3) 0.0327(18) Uani 1 1 d .
H11 H 0.0364 -0.8235 0.3086 0.039 Uiso 1 1 calc R
C12 C 0.0195(3) -0.7190(7) 0.2395(3) 0.0300(17) Uani 1 1 d .
H12 H -0.0030 -0.7824 0.2156 0.036 Uiso 1 1 calc R
C13 C 0.0285(3) -0.6031(6) 0.2183(3) 0.0254(16) Uani 1 1 d .
C14 C 0.0610(3) -0.5107(7) 0.2558(3) 0.0313(17) Uani 1 1 d .
H14 H 0.0672 -0.4304 0.2429 0.038 Uiso 1 1 calc R
C15 C 0.0841(3) -0.5334(7) 0.3108(3) 0.0347(18) Uani 1 1 d .
H15 H 0.1055 -0.4689 0.3349 0.042 Uiso 1 1 calc R
C16 C 0.0009(3) -0.5759(6) 0.1585(3) 0.0278(16) Uani 1 1 d .
C17 C -0.0550(3) -0.5944(8) 0.1328(3) 0.044(2) Uani 1 1 d .
H17 H -0.0736 -0.6256 0.1531 0.052 Uiso 1 1 calc R
C18 C -0.0845(3) -0.5679(9) 0.0775(4) 0.056(2) Uani 1 1 d .
H18 H -0.1223 -0.5829 0.0605 0.067 Uiso 1 1 calc R
C19 C -0.0572(3) -0.5189(9) 0.0480(3) 0.053(2) Uani 1 1 d .
H19 H -0.0766 -0.4999 0.0108 0.064 Uiso 1 1 calc R
C20 C -0.0020(3) -0.4981(7) 0.0730(3) 0.041(2) Uani 1 1 d .
H20 H 0.0157 -0.4636 0.0525 0.049 Uiso 1 1 calc R
C21 C 0.0285(3) -0.5264(6) 0.1277(3) 0.0276(16) Uani 1 1 d .
C22 C 0.0903(3) -0.5111(7) 0.1497(3) 0.0292(17) Uani 1 1 d .
C23 C 0.3577(3) 0.5758(7) 0.7107(3) 0.0359(19) Uani 1 1 d .
C24 C 0.3383(3) 0.4566(7) 0.7190(3) 0.0381(19) Uani 1 1 d .
H24 H 0.3110 0.4544 0.7320 0.046 Uiso 1 1 calc R
C25 C 0.3582(3) 0.3411(7) 0.7086(3) 0.041(2) Uani 1 1 d .
C26 C 0.3997(3) 0.3454(7) 0.6899(4) 0.054(2) Uani 1 1 d .
H26 H 0.4137 0.2675 0.6827 0.065 Uiso 1 1 calc R
C27 C 0.4200(4) 0.4632(8) 0.6819(4) 0.063(3) Uani 1 1 d .
C28 C 0.3988(3) 0.5801(7) 0.6931(4) 0.053(2) Uani 1 1 d .
H28 H 0.4128 0.6606 0.6885 0.063 Uiso 1 1 calc R
C29 C 0.3318(3) 0.6981(7) 0.7198(3) 0.0348(18) Uani 1 1 d .
C30 C 0.3346(3) 0.2137(7) 0.7154(3) 0.0392(19) Uani 1 1 d .
C31 C 0.4871(4) 0.3621(9) 0.6573(5) 0.077(3) Uani 1 1 d .
H31A H 0.4607 0.3020 0.6315 0.093 Uiso 1 1 calc R
H31B H 0.5055 0.3179 0.6924 0.093 Uiso 1 1 calc R
C32 C 0.5287(3) 0.4052(8) 0.6360(4) 0.053(3) Uani 1 1 d .
C33 C 0.5239(3) 0.3629(8) 0.5865(4) 0.055(2) Uani 1 1 d .
H33 H 0.4939 0.3113 0.5650 0.066 Uiso 1 1 calc R
C34 C 0.5629(3) 0.3951(8) 0.5672(4) 0.046(2) Uani 1 1 d .
H34 H 0.5589 0.3657 0.5329 0.055 Uiso 1 1 calc R
C35 C 0.6076(3) 0.4707(7) 0.5990(3) 0.0328(18) Uani 1 1 d .
C36 C 0.6117(3) 0.5164(8) 0.6485(3) 0.045(2) Uani 1 1 d .
H36 H 0.6408 0.5715 0.6693 0.054 Uiso 1 1 calc R
C37 C 0.5735(4) 0.4824(8) 0.6681(4) 0.052(2) Uani 1 1 d .
H37 H 0.5777 0.5107 0.7026 0.062 Uiso 1 1 calc R
C38 C 0.6492(3) 0.5086(7) 0.5778(3) 0.0365(19) Uani 1 1 d .
C39 C 0.6309(3) 0.5497(8) 0.5238(3) 0.048(2) Uani 1 1 d .
H39 H 0.5933 0.5493 0.5016 0.057 Uiso 1 1 calc R
C40 C 0.6666(4) 0.5915(9) 0.5014(4) 0.063(3) Uani 1 1 d .
H40 H 0.6531 0.6175 0.4648 0.075 Uiso 1 1 calc R
C41 C 0.7223(4) 0.5938(10) 0.5342(4) 0.069(3) Uani 1 1 d .
H41 H 0.7466 0.6222 0.5197 0.083 Uiso 1 1 calc R
C42 C 0.7420(3) 0.5546(8) 0.5878(4) 0.054(2) Uani 1 1 d .
H42 H 0.7797 0.5571 0.6100 0.064 Uiso 1 1 calc R
C43 C 0.7053(3) 0.5107(7) 0.6093(3) 0.0385(19) Uani 1 1 d .
C44 C 0.7314(3) 0.4617(7) 0.6673(3) 0.0365(19) Uani 1 1 d .
C45 C 0.0093(3) -0.4970(9) 0.5292(3) 0.054(2) Uani 1 1 d .
C46 C 0.0224(5) -0.6076(11) 0.5639(5) 0.098(4) Uani 1 1 d U
H46 H 0.0188 -0.6900 0.5477 0.118 Uiso 1 1 calc R
C47 C 0.0395(5) -0.6019(10) 0.6185(5) 0.086(3) Uani 1 1 d U
H47 H 0.0481 -0.6794 0.6387 0.104 Uiso 1 1 calc R
C48 C 0.0444(3) -0.4878(8) 0.6446(4) 0.048(2) Uani 1 1 d .
C49 C 0.0333(4) -0.3765(9) 0.6130(4) 0.077(3) Uani 1 1 d .
H49 H 0.0381 -0.2951 0.6302 0.093 Uiso 1 1 calc R
C50 C 0.0158(4) -0.3812(9) 0.5581(4) 0.073(3) Uani 1 1 d .
H50 H 0.0077 -0.3026 0.5386 0.088 Uiso 1 1 calc R
C51 C 0.0637(3) -0.4846(8) 0.7058(4) 0.052(2) Uani 1 1 d .
H51A H 0.0336 -0.4577 0.7148 0.062 Uiso 1 1 calc R
H51B H 0.0754 -0.5716 0.7208 0.062 Uiso 1 1 calc R
C52 C 0.1597(3) -0.2528(8) 0.7825(4) 0.049(2) Uani 1 1 d .
H52 H 0.1745 -0.1921 0.8109 0.058 Uiso 1 1 calc R
C53 C 0.1497(3) -0.3662(8) 0.7154(3) 0.043(2) Uani 1 1 d .
H53 H 0.1539 -0.4057 0.6861 0.051 Uiso 1 1 calc R
C54 C 0.1674(3) 0.2868(8) 0.7845(4) 0.049(2) Uani 1 1 d .
H54 H 0.1347 0.2398 0.7739 0.059 Uiso 1 1 calc R
C55 C 0.2433(3) 0.3527(8) 0.7887(3) 0.043(2) Uani 1 1 d .
H55 H 0.2750 0.3648 0.7828 0.052 Uiso 1 1 calc R
C56 C 0.2666(3) 0.5102(8) 0.8670(4) 0.059(3) Uani 1 1 d .
H56A H 0.2589 0.5060 0.8993 0.071 Uiso 1 1 calc R
H56B H 0.2582 0.5982 0.8519 0.071 Uiso 1 1 calc R
C57 C 0.3259(3) 0.4800(8) 0.8825(4) 0.051(2) Uani 1 1 d .
C58 C 0.3596(4) 0.5693(9) 0.8739(4) 0.068(3) Uani 1 1 d .
H58 H 0.3459 0.6513 0.8594 0.082 Uiso 1 1 calc R
C59 C 0.4146(4) 0.5381(9) 0.8869(4) 0.071(3) Uani 1 1 d .
H59 H 0.4370 0.5995 0.8804 0.085 Uiso 1 1 calc R
C60 C 0.4364(4) 0.4176(8) 0.9093(4) 0.054(2) Uani 1 1 d .
C61 C 0.4015(4) 0.3291(8) 0.9176(4) 0.057(2) Uani 1 1 d .
H61 H 0.4147 0.2469 0.9322 0.068 Uiso 1 1 calc R
C62 C 0.3476(4) 0.3606(8) 0.9047(4) 0.056(2) Uani 1 1 d .
H62 H 0.3252 0.2994 0.9111 0.067 Uiso 1 1 calc R
C63 C 0.4948(4) 0.3847(9) 0.9269(4) 0.062(3) Uani 1 1 d .
C64 C 0.5358(4) 0.4724(9) 0.9566(4) 0.065(3) Uani 1 1 d .
H64 H 0.5266 0.5564 0.9635 0.079 Uiso 1 1 calc R
C65 C 0.5907(4) 0.4358(11) 0.9764(4) 0.072(3) Uani 1 1 d .
H65 H 0.6178 0.4966 0.9961 0.086 Uiso 1 1 calc R
C66 C 0.6062(4) 0.3140(10) 0.9678(4) 0.053(2) Uani 1 1 d .
C67 C 0.5649(4) 0.2296(9) 0.9357(4) 0.063(3) Uani 1 1 d .
H67 H 0.5746 0.1480 0.9269 0.076 Uiso 1 1 calc R
C68 C 0.5107(4) 0.2604(9) 0.9165(4) 0.067(3) Uani 1 1 d .
H68 H 0.4841 0.1991 0.8965 0.080 Uiso 1 1 calc R
C69 C 0.6658(3) 0.2774(11) 0.9913(4) 0.073(3) Uani 1 1 d .
H69A H 0.6823 0.2940 1.0306 0.088 Uiso 1 1 calc R
H69B H 0.6693 0.1845 0.9856 0.088 Uiso 1 1 calc R
C70 C 0.7323(5) 0.5103(12) 0.9459(5) 0.094(4) Uani 1 1 d .
H70 H 0.7504 0.5897 0.9485 0.113 Uiso 1 1 calc R
C71 C 0.6916(4) 0.3376(10) 0.9163(4) 0.070(3) Uani 1 1 d .
H71 H 0.6746 0.2666 0.8938 0.084 Uiso 1 1 calc R
N1 N 0.2035(2) 0.2717(6) 0.7606(2) 0.0363(15) Uani 1 1 d .
N2 N 0.1838(3) 0.3738(7) 0.8234(3) 0.057(2) Uani 1 1 d .
N3 N 0.2328(3) 0.4146(6) 0.8262(3) 0.0421(17) Uani 1 1 d .
N4 N 0.7155(3) 0.4348(7) 0.9020(3) 0.0526(19) Uani 1 1 d .
N5 N 0.7209(4) 0.4625(11) 0.9863(4) 0.104(4) Uani 1 1 d .
N6 N 0.6949(3) 0.3533(9) 0.9653(3) 0.064(2) Uani 1 1 d .
N7 N 0.1825(2) -0.2774(6) 0.7472(3) 0.0363(15) Uani 1 1 d .
N8 N 0.1158(3) -0.3189(7) 0.7743(3) 0.059(2) Uani 1 1 d .
N9 N 0.1095(2) -0.3927(6) 0.7301(3) 0.0413(16) Uani 1 1 d .
O1 O 0.1955(2) -0.3005(5) 0.6373(2) 0.0535(16) Uani 1 1 d .
O2 O 0.1647(2) -0.2012(5) 0.5587(2) 0.0480(14) Uani 1 1 d .
O3 O 0.1963(2) -0.7709(5) 0.6492(2) 0.0510(15) Uani 1 1 d .
O4 O 0.1677(2) -0.8999(4) 0.57667(19) 0.0375(13) Uani 1 1 d .
O5 O 0.12162(18) -0.5845(5) 0.18677(19) 0.0336(12) Uani 1 1 d .
O6 O 0.10548(19) -0.4253(5) 0.1256(2) 0.0475(15) Uani 1 1 d .
O7 O 0.1173(2) -0.5619(5) 0.4210(2) 0.0524(16) Uani 1 1 d .
O8 O 0.3465(2) 0.1144(5) 0.6935(3) 0.0540(16) Uani 1 1 d .
O9 O 0.3050(2) 0.2077(5) 0.7401(2) 0.0484(15) Uani 1 1 d .
O10 O 0.29827(19) 0.6851(5) 0.7398(2) 0.0388(13) Uani 1 1 d .
O11 O 0.3449(2) 0.8042(5) 0.7047(2) 0.0435(14) Uani 1 1 d .
O12 O 0.7122(2) 0.3591(5) 0.6789(2) 0.0472(14) Uani 1 1 d .
O13 O 0.7718(2) 0.5207(6) 0.7014(2) 0.0545(16) Uani 1 1 d .
O14 O 0.4599(3) 0.4778(5) 0.6634(3) 0.090(3) Uani 1 1 d .
O15 O 0.23391(16) -0.0405(4) 0.69011(18) 0.0238(10) Uani 1 1 d .
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'
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
O6 Zn1 O15 106.9(2) 4_556 .
O6 Zn1 O2 104.8(2) 4_556 .
O15 Zn1 O2 132.2(2) . .
O6 Zn1 O4 102.0(2) 4_556 1_565
O15 Zn1 O4 104.95(18) . 1_565
O2 Zn1 O4 102.3(2) . 1_565
O6 Zn1 O1 95.0(2) 4_556 .
O15 Zn1 O1 84.62(18) . .
O2 Zn1 O1 57.7(2) . .
O4 Zn1 O1 156.81(19) 1_565 .
O6 Zn1 C7 99.4(2) 4_556 .
O15 Zn1 C7 110.0(2) . .
O2 Zn1 C7 29.2(2) . .
O4 Zn1 C7 131.0(2) 1_565 .
O1 Zn1 C7 28.6(2) . .
O6 Zn1 Zn3 81.41(15) 4_556 .
O15 Zn1 Zn3 39.51(12) . .
O2 Zn1 Zn3 171.64(17) . .
O4 Zn1 Zn3 81.50(13) 1_565 .
O1 Zn1 Zn3 116.86(13) . .
C7 Zn1 Zn3 145.4(2) . .
O6 Zn1 Zn2 143.31(17) 4_556 .
O15 Zn1 Zn2 36.45(12) . .
O2 Zn1 Zn2 105.37(16) . .
O4 Zn1 Zn2 91.37(14) 1_565 .
O1 Zn1 Zn2 83.99(14) . .
C7 Zn1 Zn2 96.88(17) . .
Zn3 Zn1 Zn2 66.86(3) . .
O8 Zn2 O15 125.1(2) . .
O8 Zn2 O11 109.9(2) . 1_545
O15 Zn2 O11 112.94(19) . 1_545
O8 Zn2 N4 98.8(3) . 2_646
O15 Zn2 N4 111.5(2) . 2_646
O11 Zn2 N4 93.0(2) 1_545 2_646
O8 Zn2 Zn4 136.52(18) . .
O15 Zn2 Zn4 38.29(12) . .
O11 Zn2 Zn4 75.90(15) 1_545 .
N4 Zn2 Zn4 124.4(2) 2_646 .
O8 Zn2 Zn1 132.71(18) . .
O15 Zn2 Zn1 38.00(13) . .
O11 Zn2 Zn1 117.00(15) 1_545 .
N4 Zn2 Zn1 73.48(19) 2_646 .
Zn4 Zn2 Zn1 64.90(3) . .
O15 Zn3 O3 95.98(19) . 1_565
O15 Zn3 N1 161.0(2) . .
O3 Zn3 N1 93.4(2) 1_565 .
O15 Zn3 O5 104.48(17) . 4_556
O3 Zn3 O5 92.6(2) 1_565 4_556
N1 Zn3 O5 91.5(2) . 4_556
O15 Zn3 O13 90.25(18) . 2_646
O3 Zn3 O13 169.3(2) 1_565 2_646
N1 Zn3 O13 78.2(2) . 2_646
O5 Zn3 O13 94.3(2) 4_556 2_646
O15 Zn3 Zn1 39.04(12) . .
O3 Zn3 Zn1 73.66(14) 1_565 .
N1 Zn3 Zn1 159.75(17) . .
O5 Zn3 Zn1 74.01(12) 4_556 .
O13 Zn3 Zn1 116.21(15) 2_646 .
O15 Zn4 O10 113.81(19) . 1_545
O15 Zn4 N7 122.0(2) . .
O10 Zn4 N7 109.1(2) 1_545 .
O15 Zn4 O12 115.2(2) . 2_646
O10 Zn4 O12 94.4(2) 1_545 2_646
N7 Zn4 O12 97.9(2) . 2_646
O15 Zn4 Zn2 37.21(12) . .
O10 Zn4 Zn2 79.46(15) 1_545 .
N7 Zn4 Zn2 154.02(18) . .
O12 Zn4 Zn2 105.97(16) 2_646 .
C6 C1 C2 119.4(7) . .
C6 C1 C7 121.6(7) . .
C2 C1 C7 118.8(7) . .
C3 C2 C1 120.8(7) . .
C3 C2 H2 119.6 . .
C1 C2 H2 119.6 . .
C2 C3 C4 119.6(6) . .
C2 C3 C8 119.0(6) . .
C4 C3 C8 121.3(6) . .
C5 C4 C3 120.5(7) . .
C5 C4 H4 119.7 . .
C3 C4 H4 119.7 . .
O7 C5 C4 126.0(7) . .
O7 C5 C6 115.0(6) . .
C4 C5 C6 119.0(7) . .
C1 C6 C5 120.7(7) . .
C1 C6 H6 119.7 . .
C5 C6 H6 119.7 . .
O1 C7 O2 121.2(7) . .
O1 C7 C1 119.6(7) . .
O2 C7 C1 119.2(7) . .
O1 C7 Zn1 71.1(4) . .
O2 C7 Zn1 50.5(4) . .
C1 C7 Zn1 167.9(6) . .
O3 C8 O4 125.7(7) . .
O3 C8 C3 115.8(6) . .
O4 C8 C3 118.5(7) . .
O7 C9 C10 109.4(6) . .
O7 C9 H9A 109.8 . .
C10 C9 H9A 109.8 . .
O7 C9 H9B 109.8 . .
C10 C9 H9B 109.8 . .
H9A C9 H9B 108.2 . .
C11 C10 C15 119.0(7) . .
C11 C10 C9 119.7(6) . .
C15 C10 C9 121.3(6) . .
C10 C11 C12 119.9(6) . .
C10 C11 H11 120.0 . .
C12 C11 H11 120.0 . .
C13 C12 C11 121.7(6) . .
C13 C12 H12 119.1 . .
C11 C12 H12 119.1 . .
C12 C13 C14 116.7(6) . .
C12 C13 C16 120.8(6) . .
C14 C13 C16 122.3(6) . .
C15 C14 C13 122.2(6) . .
C15 C14 H14 118.9 . .
C13 C14 H14 118.9 . .
C14 C15 C10 120.3(6) . .
C14 C15 H15 119.8 . .
C10 C15 H15 119.8 . .
C17 C16 C21 118.9(7) . .
C17 C16 C13 117.5(6) . .
C21 C16 C13 123.6(6) . .
C16 C17 C18 121.6(8) . .
C16 C17 H17 119.2 . .
C18 C17 H17 119.2 . .
C19 C18 C17 119.0(8) . .
C19 C18 H18 120.5 . .
C17 C18 H18 120.5 . .
C20 C19 C18 120.2(8) . .
C20 C19 H19 119.9 . .
C18 C19 H19 119.9 . .
C19 C20 C21 122.0(8) . .
C19 C20 H20 119.0 . .
C21 C20 H20 119.0 . .
C20 C21 C16 118.4(6) . .
C20 C21 C22 117.2(7) . .
C16 C21 C22 124.3(6) . .
O5 C22 O6 125.2(6) . .
O5 C22 C21 120.6(6) . .
O6 C22 C21 114.1(6) . .
C28 C23 C24 119.8(7) . .
C28 C23 C29 121.7(7) . .
C24 C23 C29 118.5(6) . .
C25 C24 C23 121.4(7) . .
C25 C24 H24 119.3 . .
C23 C24 H24 119.3 . .
C24 C25 C26 118.9(7) . .
C24 C25 C30 120.3(7) . .
C26 C25 C30 120.8(7) . .
C27 C26 C25 120.5(7) . .
C27 C26 H26 119.7 . .
C25 C26 H26 119.7 . .
O14 C27 C26 125.0(7) . .
O14 C27 C28 115.6(7) . .
C26 C27 C28 119.3(7) . .
C23 C28 C27 120.1(7) . .
C23 C28 H28 120.0 . .
C27 C28 H28 120.0 . .
O10 C29 O11 126.0(7) . .
O10 C29 C23 117.0(6) . .
O11 C29 C23 117.0(7) . .
O9 C30 O8 123.4(7) . .
O9 C30 C25 120.7(7) . .
O8 C30 C25 115.9(7) . .
O14 C31 C32 107.0(7) . .
O14 C31 H31A 110.3 . .
C32 C31 H31A 110.3 . .
O14 C31 H31B 110.3 . .
C32 C31 H31B 110.3 . .
H31A C31 H31B 108.6 . .
C33 C32 C37 119.4(7) . .
C33 C32 C31 119.8(9) . .
C37 C32 C31 120.8(9) . .
C32 C33 C34 121.1(8) . .
C32 C33 H33 119.4 . .
C34 C33 H33 119.4 . .
C35 C34 C33 119.8(8) . .
C35 C34 H34 120.1 . .
C33 C34 H34 120.1 . .
C36 C35 C34 119.1(7) . .
C36 C35 C38 120.8(7) . .
C34 C35 C38 120.0(7) . .
C35 C36 C37 121.0(8) . .
C35 C36 H36 119.5 . .
C37 C36 H36 119.5 . .
C36 C37 C32 119.6(9) . .
C36 C37 H37 120.2 . .
C32 C37 H37 120.2 . .
C43 C38 C39 117.0(7) . .
C43 C38 C35 124.1(7) . .
C39 C38 C35 118.8(7) . .
C38 C39 C40 122.5(8) . .
C38 C39 H39 118.7 . .
C40 C39 H39 118.7 . .
C41 C40 C39 119.1(9) . .
C41 C40 H40 120.5 . .
C39 C40 H40 120.5 . .
C42 C41 C40 120.2(8) . .
C42 C41 H41 119.9 . .
C40 C41 H41 119.9 . .
C41 C42 C43 119.8(8) . .
C41 C42 H42 120.1 . .
C43 C42 H42 120.1 . .
C38 C43 C42 121.4(8) . .
C38 C43 C44 123.0(7) . .
C42 C43 C44 115.6(7) . .
O13 C44 O12 122.8(7) . .
O13 C44 C43 119.0(7) . .
O12 C44 C43 118.1(7) . .
C50 C45 C46 112.2(9) . .
C50 C45 C45 123.5(11) . 3_546
C46 C45 C45 124.3(11) . 3_546
C47 C46 C45 124.2(11) . .
C47 C46 H46 117.9 . .
C45 C46 H46 117.9 . .
C48 C47 C46 121.6(11) . .
C48 C47 H47 119.2 . .
C46 C47 H47 119.2 . .
C47 C48 C49 116.7(10) . .
C47 C48 C51 120.4(9) . .
C49 C48 C51 122.9(8) . .
C50 C49 C48 122.1(9) . .
C50 C49 H49 119.0 . .
C48 C49 H49 119.0 . .
C49 C50 C45 123.1(9) . .
C49 C50 H50 118.4 . .
C45 C50 H50 118.4 . .
N9 C51 C48 110.0(7) . .
N9 C51 H51A 109.7 . .
C48 C51 H51A 109.7 . .
N9 C51 H51B 109.7 . .
C48 C51 H51B 109.7 . .
H51A C51 H51B 108.2 . .
N8 C52 N7 115.4(7) . .
N8 C52 H52 122.3 . .
N7 C52 H52 122.3 . .
N7 C53 N9 111.0(7) . .
N7 C53 H53 124.5 . .
N9 C53 H53 124.5 . .
N2 C54 N1 112.6(7) . .
N2 C54 H54 123.7 . .
N1 C54 H54 123.7 . .
N1 C55 N3 111.1(7) . .
N1 C55 H55 124.5 . .
N3 C55 H55 124.5 . .
N3 C56 C57 108.8(7) . .
N3 C56 H56A 109.9 . .
C57 C56 H56A 109.9 . .
N3 C56 H56B 109.9 . .
C57 C56 H56B 109.9 . .
H56A C56 H56B 108.3 . .
C58 C57 C62 118.3(8) . .
C58 C57 C56 121.0(8) . .
C62 C57 C56 120.7(8) . .
C57 C58 C59 120.4(9) . .
C57 C58 H58 119.8 . .
C59 C58 H58 119.8 . .
C60 C59 C58 121.1(9) . .
C60 C59 H59 119.4 . .
C58 C59 H59 119.4 . .
C61 C60 C59 117.3(8) . .
C61 C60 C63 119.9(8) . .
C59 C60 C63 122.7(9) . .
C62 C61 C60 121.0(8) . .
C62 C61 H61 119.5 . .
C60 C61 H61 119.5 . .
C61 C62 C57 121.8(9) . .
C61 C62 H62 119.1 . .
C57 C62 H62 119.1 . .
C64 C63 C68 117.8(9) . .
C64 C63 C60 121.2(9) . .
C68 C63 C60 120.9(8) . .
C63 C64 C65 120.3(9) . .
C63 C64 H64 119.9 . .
C65 C64 H64 119.9 . .
C66 C65 C64 122.1(9) . .
C66 C65 H65 119.0 . .
C64 C65 H65 119.0 . .
C65 C66 C67 117.0(9) . .
C65 C66 C69 120.3(9) . .
C67 C66 C69 122.8(9) . .
C68 C67 C66 122.8(9) . .
C68 C67 H67 118.6 . .
C66 C67 H67 118.6 . .
C67 C68 C63 120.0(9) . .
C67 C68 H68 120.0 . .
C63 C68 H68 120.0 . .
N6 C69 C66 110.6(8) . .
N6 C69 H69A 109.5 . .
C66 C69 H69A 109.5 . .
N6 C69 H69B 109.5 . .
C66 C69 H69B 109.5 . .
H69A C69 H69B 108.1 . .
N4 C70 N5 113.8(10) . .
N4 C70 H70 123.1 . .
N5 C70 H70 123.1 . .
N6 C71 N4 111.6(9) . .
N6 C71 H71 124.2 . .
N4 C71 H71 124.2 . .
C55 N1 C54 102.9(6) . .
C55 N1 Zn3 127.8(5) . .
C54 N1 Zn3 125.8(5) . .
C54 N2 N3 104.4(6) . .
C55 N3 N2 109.0(6) . .
C55 N3 C56 128.9(7) . .
N2 N3 C56 122.0(7) . .
C70 N4 C71 101.8(8) . .
C70 N4 Zn2 134.0(8) . 2_656
C71 N4 Zn2 121.0(6) . 2_656
N6 N5 C70 102.9(9) . .
C71 N6 N5 109.9(8) . .
C71 N6 C69 126.7(9) . .
N5 N6 C69 122.5(9) . .
C53 N7 C52 102.2(6) . .
C53 N7 Zn4 129.4(5) . .
C52 N7 Zn4 128.1(5) . .
C52 N8 N9 102.2(6) . .
C53 N9 N8 109.2(6) . .
C53 N9 C51 129.4(7) . .
N8 N9 C51 121.3(6) . .
C7 O1 Zn1 80.3(4) . .
C7 O2 Zn1 100.3(5) . .
C8 O3 Zn3 134.7(5) . 1_545
C8 O4 Zn1 123.9(5) . 1_545
C22 O5 Zn3 130.1(4) . 4
C22 O6 Zn1 124.8(4) . 4
C5 O7 C9 118.8(5) . .
C30 O8 Zn2 117.0(5) . .
C29 O10 Zn4 127.1(5) . 1_565
C29 O11 Zn2 127.7(5) . 1_565
C44 O12 Zn4 110.0(5) . 2_656
C44 O13 Zn3 135.4(5) . 2_656
C27 O14 C31 117.7(6) . .
Zn2 O15 Zn4 104.50(19) . .
Zn2 O15 Zn1 105.5(2) . .
Zn4 O15 Zn1 114.1(2) . .
Zn2 O15 Zn3 121.0(2) . .
Zn4 O15 Zn3 110.6(2) . .
Zn1 O15 Zn3 101.44(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O6 1.955(5) 4_556
Zn1 O15 1.965(4) .
Zn1 O2 1.982(5) .
Zn1 O4 2.002(5) 1_565
Zn1 O1 2.426(5) .
Zn1 C7 2.528(7) .
Zn1 Zn3 3.0570(12) .
Zn1 Zn2 3.0747(13) .
Zn2 O8 1.894(5) .
Zn2 O15 1.896(4) .
Zn2 O11 1.986(5) 1_545
Zn2 N4 2.070(7) 2_646
Zn2 Zn4 3.0361(12) .
Zn3 O15 1.984(4) .
Zn3 O3 2.014(5) 1_565
Zn3 N1 2.022(6) .
Zn3 O5 2.095(5) 4_556
Zn3 O13 2.290(6) 2_646
Zn4 O15 1.943(4) .
Zn4 O10 1.946(5) 1_545
Zn4 N7 1.985(6) .
Zn4 O12 2.016(5) 2_646
C1 C6 1.361(10) .
C1 C2 1.383(10) .
C1 C7 1.504(10) .
C2 C3 1.368(9) .
C2 H2 0.9300 .
C3 C4 1.377(9) .
C3 C8 1.507(9) .
C4 C5 1.375(9) .
C4 H4 0.9300 .
C5 O7 1.350(8) .
C5 C6 1.396(10) .
C6 H6 0.9300 .
C7 O1 1.228(9) .
C7 O2 1.254(9) .
C8 O3 1.218(8) .
C8 O4 1.253(8) .
C9 O7 1.411(8) .
C9 C10 1.488(9) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.370(9) .
C10 C15 1.375(9) .
C11 C12 1.382(9) .
C11 H11 0.9300 .
C12 C13 1.374(9) .
C12 H12 0.9300 .
C13 C14 1.385(9) .
C13 C16 1.480(9) .
C14 C15 1.356(9) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 C17 1.371(9) .
C16 C21 1.410(9) .
C17 C18 1.381(11) .
C17 H17 0.9300 .
C18 C19 1.375(11) .
C18 H18 0.9300 .
C19 C20 1.355(10) .
C19 H19 0.9300 .
C20 C21 1.377(9) .
C20 H20 0.9300 .
C21 C22 1.509(9) .
C22 O5 1.244(8) .
C22 O6 1.252(8) .
C23 C28 1.365(10) .
C23 C24 1.375(9) .
C23 C29 1.494(9) .
C24 C25 1.367(9) .
C24 H24 0.9300 .
C25 C26 1.396(10) .
C25 C30 1.488(10) .
C26 C27 1.370(10) .
C26 H26 0.9300 .
C27 O14 1.358(9) .
C27 C28 1.403(10) .
C28 H28 0.9300 .
C29 O10 1.228(8) .
C29 O11 1.255(8) .
C30 O9 1.228(8) .
C30 O8 1.273(9) .
C31 O14 1.430(9) .
C31 C32 1.511(11) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 C33 1.347(12) .
C32 C37 1.389(12) .
C33 C34 1.381(11) .
C33 H33 0.9300 .
C34 C35 1.376(10) .
C34 H34 0.9300 .
C35 C36 1.365(10) .
C35 C38 1.496(10) .
C36 C37 1.372(10) .
C36 H36 0.9300 .
C37 H37 0.9300 .
C38 C43 1.378(10) .
C38 C39 1.380(10) .
C39 C40 1.388(11) .
C39 H39 0.9300 .
C40 C41 1.374(12) .
C40 H40 0.9300 .
C41 C42 1.366(12) .
C41 H41 0.9300 .
C42 C43 1.401(10) .
C42 H42 0.9300 .
C43 C44 1.496(10) .
C44 O13 1.239(8) .
C44 O12 1.259(8) .
C45 C50 1.381(12) .
C45 C46 1.406(14) .
C45 C45 1.431(17) 3_546
C46 C47 1.338(14) .
C46 H46 0.9300 .
C47 C48 1.334(13) .
C47 H47 0.9300 .
C48 C49 1.370(12) .
C48 C51 1.498(11) .
C49 C50 1.345(13) .
C49 H49 0.9300 .
C50 H50 0.9300 .
C51 N9 1.459(9) .
C51 H51A 0.9700 .
C51 H51B 0.9700 .
C52 N8 1.288(9) .
C52 N7 1.346(9) .
C52 H52 0.9300 .
C53 N7 1.298(9) .
C53 N9 1.316(9) .
C53 H53 0.9300 .
C54 N2 1.297(10) .
C54 N1 1.372(9) .
C54 H54 0.9300 .
C55 N1 1.306(9) .
C55 N3 1.313(9) .
C55 H55 0.9300 .
C56 N3 1.461(9) .
C56 C57 1.491(11) .
C56 H56A 0.9700 .
C56 H56B 0.9700 .
C57 C58 1.364(12) .
C57 C62 1.371(11) .
C58 C59 1.398(12) .
C58 H58 0.9300 .
C59 C60 1.383(12) .
C59 H59 0.9300 .
C60 C61 1.381(11) .
C60 C63 1.466(12) .
C61 C62 1.368(11) .
C61 H61 0.9300 .
C62 H62 0.9300 .
C63 C64 1.379(12) .
C63 C68 1.400(12) .
C64 C65 1.387(12) .
C64 H64 0.9300 .
C65 C66 1.358(12) .
C65 H65 0.9300 .
C66 C67 1.380(12) .
C66 C69 1.492(11) .
C67 C68 1.354(11) .
C67 H67 0.9300 .
C68 H68 0.9300 .
C69 N6 1.464(11) .
C69 H69A 0.9700 .
C69 H69B 0.9700 .
C70 N4 1.317(12) .
C70 N5 1.331(13) .
C70 H70 0.9300 .
C71 N6 1.287(11) .
C71 N4 1.318(11) .
C71 H71 0.9300 .
N2 N3 1.345(8) .
N4 Zn2 2.070(7) 2_656
N5 N6 1.307(11) .
N8 N9 1.352(9) .
O3 Zn3 2.014(5) 1_545
O4 Zn1 2.002(5) 1_545
O5 Zn3 2.095(5) 4
O6 Zn1 1.955(5) 4
O10 Zn4 1.946(5) 1_565
O11 Zn2 1.986(5) 1_565
O12 Zn4 2.016(5) 2_656
O13 Zn3 2.290(6) 2_656
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_4
O6 Zn1 Zn2 O8 -93.8(4) 4_556 .
O15 Zn1 Zn2 O8 -95.1(3) . .
O2 Zn1 Zn2 O8 121.7(3) . .
O4 Zn1 Zn2 O8 18.6(3) 1_565 .
O1 Zn1 Zn2 O8 175.9(3) . .
C7 Zn1 Zn2 O8 150.3(3) . .
Zn3 Zn1 Zn2 O8 -61.5(2) . .
O6 Zn1 Zn2 O15 1.3(3) 4_556 .
O2 Zn1 Zn2 O15 -143.2(3) . .
O4 Zn1 Zn2 O15 113.7(2) 1_565 .
O1 Zn1 Zn2 O15 -89.1(2) . .
C7 Zn1 Zn2 O15 -114.7(3) . .
Zn3 Zn1 Zn2 O15 33.5(2) . .
O6 Zn1 Zn2 O11 94.6(3) 4_556 1_545
O15 Zn1 Zn2 O11 93.4(3) . 1_545
O2 Zn1 Zn2 O11 -49.8(2) . 1_545
O4 Zn1 Zn2 O11 -152.9(2) 1_565 1_545
O1 Zn1 Zn2 O11 4.3(2) . 1_545
C7 Zn1 Zn2 O11 -21.3(3) . 1_545
Zn3 Zn1 Zn2 O11 126.90(18) . 1_545
O6 Zn1 Zn2 N4 179.5(3) 4_556 2_646
O15 Zn1 Zn2 N4 178.2(3) . 2_646
O2 Zn1 Zn2 N4 35.0(3) . 2_646
O4 Zn1 Zn2 N4 -68.1(3) 1_565 2_646
O1 Zn1 Zn2 N4 89.1(2) . 2_646
C7 Zn1 Zn2 N4 63.5(3) . 2_646
Zn3 Zn1 Zn2 N4 -148.2(2) . 2_646
O6 Zn1 Zn2 Zn4 37.4(3) 4_556 .
O15 Zn1 Zn2 Zn4 36.08(19) . .
O2 Zn1 Zn2 Zn4 -107.11(17) . .
O4 Zn1 Zn2 Zn4 149.78(14) 1_565 .
O1 Zn1 Zn2 Zn4 -52.99(13) . .
C7 Zn1 Zn2 Zn4 -78.59(18) . .
Zn3 Zn1 Zn2 Zn4 69.63(3) . .
O6 Zn1 Zn3 O15 130.1(3) 4_556 .
O2 Zn1 Zn3 O15 -8.9(11) . .
O4 Zn1 Zn3 O15 -126.2(2) 1_565 .
O1 Zn1 Zn3 O15 38.8(2) . .
C7 Zn1 Zn3 O15 36.0(3) . .
Zn2 Zn1 Zn3 O15 -31.07(19) . .
O6 Zn1 Zn3 O3 -107.6(2) 4_556 1_565
O15 Zn1 Zn3 O3 122.3(3) . 1_565
O2 Zn1 Zn3 O3 113.4(11) . 1_565
O4 Zn1 Zn3 O3 -4.0(2) 1_565 1_565
O1 Zn1 Zn3 O3 161.1(2) . 1_565
C7 Zn1 Zn3 O3 158.2(3) . 1_565
Zn2 Zn1 Zn3 O3 91.20(18) . 1_565
O6 Zn1 Zn3 N1 -55.8(5) 4_556 .
O15 Zn1 Zn3 N1 174.1(6) . .
O2 Zn1 Zn3 N1 165.3(12) . .
O4 Zn1 Zn3 N1 47.9(5) 1_565 .
O1 Zn1 Zn3 N1 -147.1(5) . .
C7 Zn1 Zn3 N1 -149.9(6) . .
Zn2 Zn1 Zn3 N1 143.1(5) . .
O6 Zn1 Zn3 O5 -9.9(2) 4_556 4_556
O15 Zn1 Zn3 O5 -140.0(2) . 4_556
O2 Zn1 Zn3 O5 -148.9(11) . 4_556
O4 Zn1 Zn3 O5 93.7(2) 1_565 4_556
O1 Zn1 Zn3 O5 -101.2(2) . 4_556
C7 Zn1 Zn3 O5 -104.1(3) . 4_556
Zn2 Zn1 Zn3 O5 -171.10(14) . 4_556
O6 Zn1 Zn3 O13 76.9(2) 4_556 2_646
O15 Zn1 Zn3 O13 -53.2(2) . 2_646
O2 Zn1 Zn3 O13 -62.0(11) . 2_646
O4 Zn1 Zn3 O13 -179.4(2) 1_565 2_646
O1 Zn1 Zn3 O13 -14.4(2) . 2_646
C7 Zn1 Zn3 O13 -17.2(3) . 2_646
Zn2 Zn1 Zn3 O13 -84.25(15) . 2_646
O8 Zn2 Zn4 O15 90.7(3) . .
O11 Zn2 Zn4 O15 -165.2(3) 1_545 .
N4 Zn2 Zn4 O15 -81.3(3) 2_646 .
Zn1 Zn2 Zn4 O15 -35.8(2) . .
O8 Zn2 Zn4 O10 -111.8(3) . 1_545
O15 Zn2 Zn4 O10 157.5(3) . 1_545
O11 Zn2 Zn4 O10 -7.7(2) 1_545 1_545
N4 Zn2 Zn4 O10 76.2(3) 2_646 1_545
Zn1 Zn2 Zn4 O10 121.70(16) . 1_545
O8 Zn2 Zn4 N7 135.9(5) . .
O15 Zn2 Zn4 N7 45.2(5) . .
O11 Zn2 Zn4 N7 -120.0(4) 1_545 .
N4 Zn2 Zn4 N7 -36.1(5) 2_646 .
Zn1 Zn2 Zn4 N7 9.4(4) . .
O8 Zn2 Zn4 O12 -20.2(3) . 2_646
O15 Zn2 Zn4 O12 -110.9(3) . 2_646
O11 Zn2 Zn4 O12 83.9(2) 1_545 2_646
N4 Zn2 Zn4 O12 167.8(3) 2_646 2_646
Zn1 Zn2 Zn4 O12 -146.68(16) . 2_646
C6 C1 C2 C3 0.3(11) . .
C7 C1 C2 C3 176.2(6) . .
C1 C2 C3 C4 0.4(11) . .
C1 C2 C3 C8 -177.8(6) . .
C2 C3 C4 C5 -0.3(11) . .
C8 C3 C4 C5 177.8(7) . .
C3 C4 C5 O7 179.5(7) . .
C3 C4 C5 C6 -0.5(11) . .
C2 C1 C6 C5 -1.1(11) . .
C7 C1 C6 C5 -176.9(7) . .
O7 C5 C6 C1 -178.7(6) . .
C4 C5 C6 C1 1.2(12) . .
C6 C1 C7 O1 179.4(7) . .
C2 C1 C7 O1 3.6(11) . .
C6 C1 C7 O2 -0.6(11) . .
C2 C1 C7 O2 -176.4(7) . .
C6 C1 C7 Zn1 29(3) . .
C2 C1 C7 Zn1 -147(2) . .
O6 Zn1 C7 O1 -83.2(5) 4_556 .
O15 Zn1 C7 O1 28.7(5) . .
O2 Zn1 C7 O1 173.1(8) . .
O4 Zn1 C7 O1 161.7(4) 1_565 .
Zn3 Zn1 C7 O1 5.3(6) . .
Zn2 Zn1 C7 O1 63.8(4) . .
O6 Zn1 C7 O2 103.7(5) 4_556 .
O15 Zn1 C7 O2 -144.4(5) . .
O4 Zn1 C7 O2 -11.5(6) 1_565 .
O1 Zn1 C7 O2 -173.1(8) . .
Zn3 Zn1 C7 O2 -167.9(4) . .
Zn2 Zn1 C7 O2 -109.3(5) . .
O6 Zn1 C7 C1 70(2) 4_556 .
O15 Zn1 C7 C1 -178(2) . .
O2 Zn1 C7 C1 -33(2) . .
O4 Zn1 C7 C1 -45(3) 1_565 .
O1 Zn1 C7 C1 153(3) . .
Zn3 Zn1 C7 C1 159(2) . .
Zn2 Zn1 C7 C1 -143(2) . .
C2 C3 C8 O3 -0.9(10) . .
C4 C3 C8 O3 -179.0(7) . .
C2 C3 C8 O4 178.1(6) . .
C4 C3 C8 O4 -0.1(10) . .
O7 C9 C10 C11 -159.3(7) . .
O7 C9 C10 C15 21.2(10) . .
C15 C10 C11 C12 1.5(11) . .
C9 C10 C11 C12 -178.0(7) . .
C10 C11 C12 C13 0.4(10) . .
C11 C12 C13 C14 -1.8(10) . .
C11 C12 C13 C16 -177.2(6) . .
C12 C13 C14 C15 1.4(10) . .
C16 C13 C14 C15 176.8(6) . .
C13 C14 C15 C10 0.4(11) . .
C11 C10 C15 C14 -1.9(11) . .
C9 C10 C15 C14 177.6(7) . .
C12 C13 C16 C17 50.0(9) . .
C14 C13 C16 C17 -125.2(7) . .
C12 C13 C16 C21 -133.2(7) . .
C14 C13 C16 C21 51.7(10) . .
C21 C16 C17 C18 1.1(11) . .
C13 C16 C17 C18 178.1(7) . .
C16 C17 C18 C19 -1.5(13) . .
C17 C18 C19 C20 0.5(13) . .
C18 C19 C20 C21 1.0(13) . .
C19 C20 C21 C16 -1.4(11) . .
C19 C20 C21 C22 174.5(7) . .
C17 C16 C21 C20 0.4(10) . .
C13 C16 C21 C20 -176.4(6) . .
C17 C16 C21 C22 -175.2(6) . .
C13 C16 C21 C22 8.0(10) . .
C20 C21 C22 O5 -147.1(7) . .
C16 C21 C22 O5 28.5(10) . .
C20 C21 C22 O6 29.4(9) . .
C16 C21 C22 O6 -155.0(7) . .
C28 C23 C24 C25 -1.7(12) . .
C29 C23 C24 C25 176.5(7) . .
C23 C24 C25 C26 0.9(12) . .
C23 C24 C25 C30 -177.1(7) . .
C24 C25 C26 C27 -0.2(14) . .
C30 C25 C26 C27 177.7(9) . .
C25 C26 C27 O14 -179.4(10) . .
C25 C26 C27 C28 0.3(15) . .
C24 C23 C28 C27 1.9(13) . .
C29 C23 C28 C27 -176.3(8) . .
O14 C27 C28 C23 178.5(9) . .
C26 C27 C28 C23 -1.2(15) . .
C28 C23 C29 O10 -174.4(8) . .
C24 C23 C29 O10 7.4(11) . .
C28 C23 C29 O11 7.9(12) . .
C24 C23 C29 O11 -170.3(7) . .
C24 C25 C30 O9 -14.2(12) . .
C26 C25 C30 O9 167.9(8) . .
C24 C25 C30 O8 164.9(8) . .
C26 C25 C30 O8 -13.0(12) . .
O14 C31 C32 C33 -117.8(9) . .
O14 C31 C32 C37 65.7(11) . .
C37 C32 C33 C34 0.0(13) . .
C31 C32 C33 C34 -176.6(8) . .
C32 C33 C34 C35 0.4(12) . .
C33 C34 C35 C36 -2.2(11) . .
C33 C34 C35 C38 -178.4(7) . .
C34 C35 C36 C37 3.5(12) . .
C38 C35 C36 C37 179.7(7) . .
C35 C36 C37 C32 -3.0(12) . .
C33 C32 C37 C36 1.2(12) . .
C31 C32 C37 C36 177.8(8) . .
C36 C35 C38 C43 44.1(11) . .
C34 C35 C38 C43 -139.7(8) . .
C36 C35 C38 C39 -133.1(8) . .
C34 C35 C38 C39 43.1(10) . .
C43 C38 C39 C40 0.0(12) . .
C35 C38 C39 C40 177.4(8) . .
C38 C39 C40 C41 -0.8(14) . .
C39 C40 C41 C42 0.4(15) . .
C40 C41 C42 C43 0.7(14) . .
C39 C38 C43 C42 1.1(11) . .
C35 C38 C43 C42 -176.2(7) . .
C39 C38 C43 C44 -176.3(7) . .
C35 C38 C43 C44 6.4(11) . .
C41 C42 C43 C38 -1.5(13) . .
C41 C42 C43 C44 176.1(8) . .
C38 C43 C44 O13 -142.7(7) . .
C42 C43 C44 O13 39.7(10) . .
C38 C43 C44 O12 39.7(11) . .
C42 C43 C44 O12 -137.9(8) . .
C50 C45 C46 C47 -0.5(16) . .
C45 C45 C46 C47 -179.6(11) 3_546 .
C45 C46 C47 C48 1.5(19) . .
C46 C47 C48 C49 -2.7(16) . .
C46 C47 C48 C51 -179.9(10) . .
C47 C48 C49 C50 3.1(16) . .
C51 C48 C49 C50 -179.8(9) . .
C48 C49 C50 C45 -2.2(17) . .
C46 C45 C50 C49 0.8(15) . .
C45 C45 C50 C49 179.9(11) 3_546 .
C47 C48 C51 N9 128.0(9) . .
C49 C48 C51 N9 -49.0(11) . .
N3 C56 C57 C58 119.4(9) . .
N3 C56 C57 C62 -59.3(11) . .
C62 C57 C58 C59 0.9(14) . .
C56 C57 C58 C59 -177.9(8) . .
C57 C58 C59 C60 -1.0(15) . .
C58 C59 C60 C61 0.8(14) . .
C58 C59 C60 C63 -175.7(9) . .
C59 C60 C61 C62 -0.7(14) . .
C63 C60 C61 C62 175.9(8) . .
C60 C61 C62 C57 0.7(14) . .
C58 C57 C62 C61 -0.8(13) . .
C56 C57 C62 C61 178.0(8) . .
C61 C60 C63 C64 -132.3(10) . .
C59 C60 C63 C64 44.2(14) . .
C61 C60 C63 C68 44.3(13) . .
C59 C60 C63 C68 -139.2(10) . .
C68 C63 C64 C65 -1.5(15) . .
C60 C63 C64 C65 175.2(9) . .
C63 C64 C65 C66 -0.5(15) . .
C64 C65 C66 C67 3.5(14) . .
C64 C65 C66 C69 -178.0(9) . .
C65 C66 C67 C68 -4.8(14) . .
C69 C66 C67 C68 176.7(9) . .
C66 C67 C68 C63 3.0(15) . .
C64 C63 C68 C67 0.3(15) . .
C60 C63 C68 C67 -176.5(9) . .
C65 C66 C69 N6 -66.8(12) . .
C67 C66 C69 N6 111.6(10) . .
N3 C55 N1 C54 -1.0(9) . .
N3 C55 N1 Zn3 -160.4(5) . .
N2 C54 N1 C55 1.6(10) . .
N2 C54 N1 Zn3 161.7(6) . .
O15 Zn3 N1 C55 37.7(11) . .
O3 Zn3 N1 C55 -81.8(7) 1_565 .
O5 Zn3 N1 C55 -174.5(7) 4_556 .
O13 Zn3 N1 C55 91.4(7) 2_646 .
Zn1 Zn3 N1 C55 -130.9(6) . .
O15 Zn3 N1 C54 -117.4(8) . .
O3 Zn3 N1 C54 123.1(7) 1_565 .
O5 Zn3 N1 C54 30.4(7) 4_556 .
O13 Zn3 N1 C54 -63.7(7) 2_646 .
Zn1 Zn3 N1 C54 74.0(9) . .
N1 C54 N2 N3 -1.6(10) . .
N1 C55 N3 N2 0.1(10) . .
N1 C55 N3 C56 178.3(8) . .
C54 N2 N3 C55 0.9(10) . .
C54 N2 N3 C56 -177.5(8) . .
C57 C56 N3 C55 -30.7(12) . .
C57 C56 N3 N2 147.4(8) . .
N5 C70 N4 C71 1.4(14) . .
N5 C70 N4 Zn2 160.5(8) . 2_656
N6 C71 N4 C70 -1.1(12) . .
N6 C71 N4 Zn2 -163.7(6) . 2_656
N4 C70 N5 N6 -1.2(15) . .
N4 C71 N6 N5 0.5(12) . .
N4 C71 N6 C69 169.4(8) . .
C70 N5 N6 C71 0.4(13) . .
C70 N5 N6 C69 -169.1(9) . .
C66 C69 N6 C71 -73.3(13) . .
C66 C69 N6 N5 94.3(11) . .
N9 C53 N7 C52 0.5(9) . .
N9 C53 N7 Zn4 -173.2(5) . .
N8 C52 N7 C53 -0.3(10) . .
N8 C52 N7 Zn4 173.5(6) . .
O15 Zn4 N7 C53 78.6(7) . .
O10 Zn4 N7 C53 -57.4(7) 1_545 .
O12 Zn4 N7 C53 -154.9(7) 2_646 .
Zn2 Zn4 N7 C53 48.2(9) . .
O15 Zn4 N7 C52 -93.5(7) . .
O10 Zn4 N7 C52 130.4(7) 1_545 .
O12 Zn4 N7 C52 32.9(7) 2_646 .
Zn2 Zn4 N7 C52 -123.9(6) . .
N7 C52 N8 N9 0.0(10) . .
N7 C53 N9 N8 -0.5(9) . .
N7 C53 N9 C51 179.5(7) . .
C52 N8 N9 C53 0.3(9) . .
C52 N8 N9 C51 -179.8(7) . .
C48 C51 N9 C53 -35.7(11) . .
C48 C51 N9 N8 144.3(7) . .
O2 C7 O1 Zn1 6.2(7) . .
C1 C7 O1 Zn1 -173.8(6) . .
O6 Zn1 O1 C7 100.5(5) 4_556 .
O15 Zn1 O1 C7 -153.0(5) . .
O2 Zn1 O1 C7 -3.9(4) . .
O4 Zn1 O1 C7 -37.0(7) 1_565 .
Zn3 Zn1 O1 C7 -176.6(4) . .
Zn2 Zn1 O1 C7 -116.4(4) . .
O1 C7 O2 Zn1 -7.6(8) . .
C1 C7 O2 Zn1 172.4(5) . .
O6 Zn1 O2 C7 -82.7(5) 4_556 .
O15 Zn1 O2 C7 47.6(6) . .
O4 Zn1 O2 C7 171.2(5) 1_565 .
O1 Zn1 O2 C7 3.9(4) . .
Zn3 Zn1 O2 C7 55.2(13) . .
Zn2 Zn1 O2 C7 76.3(5) . .
O4 C8 O3 Zn3 -10.2(12) . 1_545
C3 C8 O3 Zn3 168.6(5) . 1_545
O3 C8 O4 Zn1 2.5(11) . 1_545
C3 C8 O4 Zn1 -176.4(4) . 1_545
O6 C22 O5 Zn3 -10.3(11) . 4
C21 C22 O5 Zn3 165.7(4) . 4
O5 C22 O6 Zn1 26.4(11) . 4
C21 C22 O6 Zn1 -149.9(5) . 4
C4 C5 O7 C9 4.2(12) . .
C6 C5 O7 C9 -175.9(7) . .
C10 C9 O7 C5 173.5(6) . .
O9 C30 O8 Zn2 19.2(11) . .
C25 C30 O8 Zn2 -159.8(5) . .
O15 Zn2 O8 C30 5.4(7) . .
O11 Zn2 O8 C30 -134.0(6) 1_545 .
N4 Zn2 O8 C30 129.5(6) 2_646 .
Zn4 Zn2 O8 C30 -43.8(7) . .
Zn1 Zn2 O8 C30 54.0(7) . .
O11 C29 O10 Zn4 13.3(12) . 1_565
C23 C29 O10 Zn4 -164.3(5) . 1_565
O10 C29 O11 Zn2 -26.5(12) . 1_565
C23 C29 O11 Zn2 151.0(5) . 1_565
O13 C44 O12 Zn4 2.1(9) . 2_656
C43 C44 O12 Zn4 179.6(5) . 2_656
O12 C44 O13 Zn3 -58.1(11) . 2_656
C43 C44 O13 Zn3 124.4(7) . 2_656
C26 C27 O14 C31 -7.2(16) . .
C28 C27 O14 C31 173.1(9) . .
C32 C31 O14 C27 179.6(9) . .
O8 Zn2 O15 Zn4 -122.8(3) . .
O11 Zn2 O15 Zn4 15.6(3) 1_545 .
N4 Zn2 O15 Zn4 118.8(3) 2_646 .
Zn1 Zn2 O15 Zn4 120.6(3) . .
O8 Zn2 O15 Zn1 116.6(3) . .
O11 Zn2 O15 Zn1 -105.0(2) 1_545 .
N4 Zn2 O15 Zn1 -1.8(3) 2_646 .
Zn4 Zn2 O15 Zn1 -120.6(3) . .
O8 Zn2 O15 Zn3 2.6(4) . .
O11 Zn2 O15 Zn3 141.0(2) 1_545 .
N4 Zn2 O15 Zn3 -115.9(3) 2_646 .
Zn4 Zn2 O15 Zn3 125.3(3) . .
Zn1 Zn2 O15 Zn3 -114.0(3) . .
O10 Zn4 O15 Zn2 -24.3(3) 1_545 .
N7 Zn4 O15 Zn2 -158.5(2) . .
O12 Zn4 O15 Zn2 83.2(2) 2_646 .
O10 Zn4 O15 Zn1 90.5(3) 1_545 .
N7 Zn4 O15 Zn1 -43.8(3) . .
O12 Zn4 O15 Zn1 -162.0(2) 2_646 .
Zn2 Zn4 O15 Zn1 114.8(3) . .
O10 Zn4 O15 Zn3 -156.0(2) 1_545 .
N7 Zn4 O15 Zn3 69.8(3) . .
O12 Zn4 O15 Zn3 -48.5(3) 2_646 .
Zn2 Zn4 O15 Zn3 -131.7(3) . .
O6 Zn1 O15 Zn2 -179.2(2) 4_556 .
O2 Zn1 O15 Zn2 51.3(3) . .
O4 Zn1 O15 Zn2 -71.4(2) 1_565 .
O1 Zn1 O15 Zn2 87.2(2) . .
C7 Zn1 O15 Zn2 73.8(2) . .
Zn3 Zn1 O15 Zn2 -127.0(3) . .
O6 Zn1 O15 Zn4 66.7(3) 4_556 .
O2 Zn1 O15 Zn4 -62.9(3) . .
O4 Zn1 O15 Zn4 174.5(2) 1_565 .
O1 Zn1 O15 Zn4 -27.0(2) . .
C7 Zn1 O15 Zn4 -40.3(3) . .
Zn3 Zn1 O15 Zn4 118.9(3) . .
Zn2 Zn1 O15 Zn4 -114.1(3) . .
O6 Zn1 O15 Zn3 -52.2(2) 4_556 .
O2 Zn1 O15 Zn3 178.3(2) . .
O4 Zn1 O15 Zn3 55.6(2) 1_565 .
O1 Zn1 O15 Zn3 -145.8(2) . .
C7 Zn1 O15 Zn3 -159.2(2) . .
Zn2 Zn1 O15 Zn3 127.0(3) . .
O3 Zn3 O15 Zn2 61.5(3) 1_565 .
N1 Zn3 O15 Zn2 -57.6(8) . .
O5 Zn3 O15 Zn2 155.8(2) 4_556 .
O13 Zn3 O15 Zn2 -109.8(3) 2_646 .
Zn1 Zn3 O15 Zn2 116.1(3) . .
O3 Zn3 O15 Zn4 -176.0(2) 1_565 .
N1 Zn3 O15 Zn4 64.9(7) . .
O5 Zn3 O15 Zn4 -81.7(2) 4_556 .
O13 Zn3 O15 Zn4 12.7(2) 2_646 .
Zn1 Zn3 O15 Zn4 -121.3(3) . .
O3 Zn3 O15 Zn1 -54.7(2) 1_565 .
N1 Zn3 O15 Zn1 -173.7(6) . .
O5 Zn3 O15 Zn1 39.6(2) 4_556 .
O13 Zn3 O15 Zn1 134.1(2) 2_646 .
