#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:43:04 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180401 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/70/7207011.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_7207011
loop_
_publ_author_name
'Li, Lian-Jie'
'Qin, Chao'
'Wang, Xin-Long'
'Wang, Shuang'
'Zhao, Liang'
'Yang, Guang-Sheng'
'Wang, Hai-Ning'
'Yuan, Gang'
'Shao, Kui-Zhan'
'Su, Zhong-Min'
_publ_section_title
;
 pH variation induced construction of a series of entangled frameworks
 based on bi- and tri-metallic cores as nodes
;
_journal_issue                   1
_journal_name_full               CrystEngComm
_journal_page_first              124
_journal_paper_doi               10.1039/c1ce05810j
_journal_volume                  14
_journal_year                    2012
_chemical_formula_moiety         'C54 H40 N4 O17 Zn2'
_chemical_formula_sum            'C54 H40 N4 O17 Zn2'
_chemical_formula_weight         1147.68
_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                 98.357(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.912(5)
_cell_length_b                   14.301(5)
_cell_length_c                   13.659(5)
_cell_measurement_temperature    293(2)
_cell_volume                     5201(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_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  0.1622
_diffrn_reflns_av_sigmaI/netI    0.1981
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            30392
_diffrn_reflns_theta_full        27.59
_diffrn_reflns_theta_max         27.59
_diffrn_reflns_theta_min         1.53
_exptl_absorpt_coefficient_mu    1.000
_exptl_crystal_density_diffrn    1.466
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2352
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.031
_refine_diff_density_min         -0.871
_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     686
_refine_ls_number_reflns         11709
_refine_ls_number_restraints     339
_refine_ls_restrained_S_all      2.573
_refine_ls_R_factor_all          0.1639
_refine_ls_R_factor_gt           0.0695
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0548P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1681
_refine_ls_wR_factor_ref         0.1941
_reflns_number_gt                5054
_reflns_number_total             11709
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce05810j.txt
_cod_data_source_block           804837
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7207011
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C3 C 0.3848(5) 0.7870(12) -0.0367(10) 0.0298(17) Uani 1 1 d U . .
H3 H 0.4046 0.8289 -0.0659 0.036 Uiso 1 1 calc R . .
C5 C 0.2437(5) 0.2346(12) 0.0175(11) 0.0336(17) Uani 1 1 d U . .
H5 H 0.2784 0.2410 0.0231 0.040 Uiso 1 1 calc R . .
C6 C 0.3038(5) 0.7389(11) -0.0032(10) 0.0290(17) Uani 1 1 d U . .
H6 H 0.2692 0.7465 -0.0118 0.035 Uiso 1 1 calc R . .
C7 C 0.3328(5) 0.7971(12) -0.0527(10) 0.0292(17) Uani 1 1 d U . .
C9 C 0.2165(5) 0.2948(12) 0.0711(11) 0.0342(17) Uani 1 1 d U . .
C10 C 0.2200(5) 0.1665(12) -0.0430(11) 0.0342(17) Uani 1 1 d U . .
C11 C 0.3261(5) 0.6689(11) 0.0596(10) 0.0295(16) Uani 1 1 d U . .
C14 C 0.2956(5) 0.6090(12) 0.1196(11) 0.030(2) Uani 1 1 d U . .
C15 C 0.4076(5) 0.7156(12) 0.0220(10) 0.0306(16) Uani 1 1 d U . .
C16 C 0.1644(5) 0.2820(12) 0.0620(11) 0.0357(17) Uani 1 1 d U . .
H16 H 0.1458 0.3217 0.0965 0.043 Uiso 1 1 calc R . .
C17 C 0.6309(5) 0.4201(13) 0.3147(12) 0.043(2) Uani 1 1 d U . .
C18 C 0.1678(5) 0.1555(13) -0.0497(11) 0.0359(17) Uani 1 1 d U . .
H18 H 0.1516 0.1093 -0.0903 0.043 Uiso 1 1 calc R . .
C19 C 0.2476(5) 0.1061(13) -0.1074(11) 0.034(2) Uani 1 1 d U . .
C20 C 0.3777(5) 0.6560(12) 0.0707(10) 0.0302(16) Uani 1 1 d U . .
H20 H 0.3925 0.6079 0.1105 0.036 Uiso 1 1 calc R . .
C21 C 0.3090(5) 0.6279(12) 0.3811(10) 0.029(4) Uani 1 1 d . . .
C23 C 0.4629(5) 0.7008(12) 0.0312(11) 0.032(2) Uani 1 1 d U . .
C24 C 0.7340(5) 0.4136(14) 0.3356(12) 0.043(2) Uani 1 1 d U D .
C25 C -0.3213(6) 0.6182(15) 0.1603(14) 0.053(2) Uani 1 1 d U . .
C26 C 0.1401(5) 0.2134(13) 0.0044(11) 0.0370(17) Uani 1 1 d U . .
C27 C 0.6544(5) 0.3636(14) 0.2546(12) 0.043(2) Uani 1 1 d U . .
H27 H 0.6357 0.3278 0.2057 0.052 Uiso 1 1 calc R . .
C28 C 0.4950(5) 0.3866(15) 0.2558(12) 0.049(2) Uani 1 1 d U . .
C29 C 0.2412(5) 0.3696(13) 0.1364(11) 0.034(2) Uani 1 1 d U . .
C30 C 0.7107(5) 0.4709(13) 0.3941(12) 0.043(2) Uani 1 1 d U . .
H30 H 0.7298 0.5078 0.4415 0.052 Uiso 1 1 calc R . .
C32 C -0.2657(5) 0.6314(15) 0.1905(13) 0.052(3) Uani 1 1 d U . .
H32A H -0.2567 0.6960 0.1806 0.062 Uiso 1 1 calc R . .
H32B H -0.2566 0.6164 0.2600 0.062 Uiso 1 1 calc R . .
C33 C 0.8659(11) 0.382(3) 0.430(2) 0.120(5) Uiso 1 1 d U . .
C34 C 0.4568(5) 0.3571(14) 0.1827(12) 0.048(2) Uani 1 1 d U . .
H34 H 0.4645 0.3286 0.1256 0.058 Uiso 1 1 calc R . .
C35 C -0.1879(6) 0.5775(18) 0.1487(15) 0.071(3) Uani 1 1 d U . .
C36 C 0.4080(5) 0.3703(14) 0.1954(12) 0.048(3) Uani 1 1 d U . .
H36 H 0.3828 0.3497 0.1463 0.058 Uiso 1 1 calc R . .
C37 C 0.6589(5) 0.4751(14) 0.3839(12) 0.043(2) Uani 1 1 d U . .
H37 H 0.6432 0.5149 0.4237 0.052 Uiso 1 1 calc R . .
C38 C 0.7064(5) 0.3603(14) 0.2675(12) 0.043(2) Uani 1 1 d U . .
H38 H 0.7224 0.3205 0.2282 0.052 Uiso 1 1 calc R . .
C39 C -0.1118(6) 0.5227(18) 0.1042(15) 0.073(3) Uani 1 1 d U . .
H39 H -0.0949 0.4818 0.0677 0.087 Uiso 1 1 calc R . .
C41 C 0.0846(6) 0.2017(13) -0.0022(12) 0.039(2) Uani 1 1 d U . .
C42 C 0.5482(5) 0.3716(15) 0.2417(12) 0.049(3) Uani 1 1 d U . .
H42A H 0.5573 0.3064 0.2529 0.058 Uiso 1 1 calc R . .
H42B H 0.5528 0.3878 0.1747 0.058 Uiso 1 1 calc R . .
C43 C -0.3422(6) 0.5654(15) 0.0844(14) 0.054(2) Uani 1 1 d U . .
H43 H -0.3218 0.5337 0.0460 0.065 Uiso 1 1 calc R . .
C44 C 0.4814(5) 0.4297(14) 0.3365(13) 0.050(2) Uani 1 1 d U . .
H44 H 0.5059 0.4519 0.3862 0.060 Uiso 1 1 calc R . .
C45 C -0.3529(5) 0.6598(15) 0.2188(14) 0.054(2) Uani 1 1 d U . .
H45 H -0.3399 0.6920 0.2761 0.065 Uiso 1 1 calc R . .
C46 C 0.4308(5) 0.4408(15) 0.3449(13) 0.050(3) Uani 1 1 d U . .
H46 H 0.4223 0.4697 0.4012 0.061 Uiso 1 1 calc R . .
C47 C -0.1616(6) 0.6414(18) 0.2107(15) 0.072(3) Uani 1 1 d U . .
H47 H -0.1784 0.6835 0.2461 0.086 Uiso 1 1 calc R . .
C48 C -0.1638(6) 0.5186(18) 0.0925(15) 0.072(3) Uani 1 1 d U . .
H48 H -0.1817 0.4772 0.0481 0.087 Uiso 1 1 calc R . .
C49A C 0.1183(19) 0.524(5) 0.222(6) 0.092(4) Uiso 0.54(8) 1 d PU A 1
H49A H 0.1287 0.4620 0.2170 0.110 Uiso 0.54(8) 1 calc PR A 1
C49B C 0.118(2) 0.545(5) 0.172(7) 0.092(4) Uiso 0.46(8) 1 d PU A 2
H49B H 0.1279 0.4950 0.1350 0.111 Uiso 0.46(8) 1 calc PR A 2
C50 C -0.3948(6) 0.5575(15) 0.0623(14) 0.054(3) Uani 1 1 d U . .
H50 H -0.4085 0.5190 0.0104 0.065 Uiso 1 1 calc R . .
C51 C -0.1090(6) 0.6424(18) 0.2202(15) 0.072(3) Uani 1 1 d U . .
H51 H -0.0909 0.6841 0.2640 0.086 Uiso 1 1 calc R . .
C52 C -0.4043(6) 0.6523(15) 0.1897(14) 0.055(3) Uani 1 1 d U . .
H52 H -0.4254 0.6839 0.2267 0.066 Uiso 1 1 calc R . .
C53 C -0.0844(6) 0.5839(18) 0.1669(15) 0.072(3) Uani 1 1 d U . .
C56 C -0.0061(8) 0.651(2) 0.2221(19) 0.093(4) Uani 1 1 d U . .
H56A H -0.0128 0.6543 0.2899 0.112 Uiso 1 1 calc R . .
H56B H -0.0149 0.7110 0.1902 0.112 Uiso 1 1 calc R . .
C57 C 0.0512(9) 0.626(2) 0.218(2) 0.093(4) Uani 1 1 d U . .
C58A C 0.0678(19) 0.542(5) 0.224(5) 0.091(4) Uani 0.50(6) 1 d PU A 1
H58A H 0.0458 0.4931 0.2297 0.109 Uiso 0.50(6) 1 calc PR A 1
C58B C 0.064(2) 0.565(5) 0.168(6) 0.093(4) Uiso 0.50(6) 1 d PU A 2
H58B H 0.0408 0.5313 0.1258 0.112 Uiso 0.50(6) 1 calc PR A 2
C59 C 0.8877(11) 0.435(2) 0.374(2) 0.119(5) Uani 1 1 d U C .
H59 H 0.8690 0.4685 0.3231 0.143 Uiso 1 1 calc R B 1
C60A C 0.941(2) 0.443(7) 0.392(7) 0.120(5) Uiso 0.56(12) 1 d PU C 1
H60A H 0.9558 0.4965 0.3707 0.144 Uiso 0.56(12) 1 calc PR C 1
C60B C 0.943(3) 0.413(8) 0.348(10) 0.120(5) Uiso 0.44(12) 1 d PU C 2
H60B H 0.9555 0.4210 0.2886 0.144 Uiso 0.44(12) 1 calc PR C 2
C62 C 0.1374(9) 0.674(2) 0.2521(18) 0.095(4) Uani 1 1 d U . .
H62 H 0.1614 0.7199 0.2716 0.114 Uiso 1 1 calc R A .
N1 N 0.1528(4) 0.5935(11) 0.2257(11) 0.041(4) Uani 1 1 d . A .
N2 N -0.4253(4) 0.6030(11) 0.1128(11) 0.047(4) Uani 1 1 d . . .
C61A C 0.811(3) 0.425(15) 0.431(7) 0.119(5) Uiso 0.34(12) 1 d PU D 1
H61A H 0.7947 0.3951 0.4818 0.143 Uiso 0.34(12) 1 calc PR D 1
H61B H 0.8127 0.4915 0.4432 0.143 Uiso 0.34(12) 1 calc PR D 1
C61B C 0.8063(18) 0.366(8) 0.419(4) 0.119(5) Uiso 0.66(12) 1 d PU D 2
H61C H 0.7988 0.3002 0.4140 0.143 Uiso 0.66(12) 1 calc PR D 2
H61D H 0.7939 0.3904 0.4776 0.143 Uiso 0.66(12) 1 calc PR D 2
N3 N 0.3946(4) 0.4123(10) 0.2767(9) 0.030(3) Uani 1 1 d . . .
N4 N 0.9671(8) 0.381(2) 0.4358(19) 0.116(8) Uani 1 1 d U . .
O1 O 0.2860(3) 0.3559(8) 0.1749(7) 0.035(3) Uani 1 1 d . . .
O2 O 0.2148(4) 0.4390(9) 0.1494(8) 0.042(3) Uani 1 1 d . A .
O3 O 0.2241(4) 0.0390(9) -0.1472(8) 0.048(3) Uani 1 1 d . . .
O4 O 0.2917(4) 0.1275(8) -0.1158(7) 0.041(3) Uani 1 1 d . . .
O5 O 0.2642(4) 0.6410(8) 0.3400(7) 0.038(3) Uani 1 1 d . A .
O6 O 0.3353(4) 0.5573(9) 0.3688(8) 0.041(3) Uani 1 1 d . . .
O7 O 0.3186(4) 0.5417(9) 0.1633(8) 0.047(3) Uani 1 1 d . . .
O8 O 0.2515(4) 0.6323(8) 0.1268(7) 0.038(3) Uani 1 1 d . A .
O9 O 0.4780(4) 0.6240(10) 0.0781(10) 0.071(4) Uani 1 1 d . . .
H9 H 0.5086 0.6193 0.0811 0.106 Uiso 1 1 calc R . .
O10 O 0.4906(4) 0.7528(9) -0.0037(9) 0.057(4) Uani 1 1 d . . .
O11 O 0.0603(4) 0.2467(12) 0.0480(11) 0.084(6) Uani 1 1 d . . .
O12 O 0.0655(4) 0.1377(12) -0.0650(11) 0.090(6) Uani 1 1 d . . .
H12 H 0.0351 0.1348 -0.0652 0.135 Uiso 1 1 calc R . .
O13 O -0.0329(5) 0.5773(14) 0.1699(12) 0.101(6) Uani 1 1 d . . .
O14 O -0.2397(4) 0.5720(10) 0.1325(9) 0.056(4) Uani 1 1 d . . .
O15 O 0.5791(3) 0.4292(10) 0.3106(8) 0.053(4) Uani 1 1 d . . .
O16 O 0.7855(4) 0.4081(11) 0.3439(9) 0.063(4) Uani 1 1 d . . .
Zn1 Zn 0.32155(5) 0.44544(14) 0.27793(11) 0.0238(5) Uani 1 1 d . . .
Zn2 Zn 0.22663(5) 0.55607(14) 0.23602(11) 0.0243(5) Uani 1 1 d . . .
C54 C 0.9468(11) 0.318(3) 0.490(2) 0.125(5) Uiso 1 1 d U C .
H54 H 0.9675 0.2764 0.5291 0.150 Uiso 1 1 calc R . .
C40 C 0.0865(8) 0.698(2) 0.2533(17) 0.094(4) Uani 1 1 d U A .
H40 H 0.0767 0.7557 0.2753 0.113 Uiso 1 1 calc R . .
C1 C 0.8911(11) 0.313(3) 0.487(2) 0.124(5) Uiso 1 1 d U C .
H1 H 0.8752 0.2679 0.5208 0.149 Uiso 1 1 calc R . .
O1W O 0.3922(11) 0.204(3) 0.0249(19) 0.244(15) 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 0.0030 0.0020 '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 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2840 1.4300 '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
C7 C3 C15 121.3(15) . .
C7 C3 H3 119.4 . .
C15 C3 H3 119.4 . .
C10 C5 C9 121.0(13) . .
C10 C5 H5 119.5 . .
C9 C5 H5 119.5 . .
C7 C6 C11 120.8(13) . .
C7 C6 H6 119.6 . .
C11 C6 H6 119.6 . .
C6 C7 C3 119.0(14) . .
C6 C7 C21 120.6(12) . 4_575
C3 C7 C21 120.4(14) . 4_575
C5 C9 C16 117.8(15) . .
C5 C9 C29 122.1(13) . .
C16 C9 C29 120.1(14) . .
C5 C10 C18 119.5(15) . .
C5 C10 C19 122.2(13) . .
C18 C10 C19 118.3(14) . .
C20 C11 C6 119.7(14) . .
C20 C11 C14 118.7(14) . .
C6 C11 C14 121.6(12) . .
O7 C14 O8 125.3(14) . .
O7 C14 C11 115.3(13) . .
O8 C14 C11 119.2(14) . .
C3 C15 C20 119.0(13) . .
C3 C15 C23 120.5(14) . .
C20 C15 C23 120.5(14) . .
C26 C16 C9 122.3(15) . .
C26 C16 H16 118.8 . .
C9 C16 H16 118.8 . .
C27 C17 C37 119.7(14) . .
C27 C17 O15 125.3(15) . .
C37 C17 O15 115.0(15) . .
C26 C18 C10 120.4(15) . .
C26 C18 H18 119.8 . .
C10 C18 H18 119.8 . .
O3 C19 O4 125.9(16) . .
O3 C19 C10 116.0(13) . .
O4 C19 C10 118.1(15) . .
C11 C20 C15 120.1(15) . .
C11 C20 H20 120.0 . .
C15 C20 H20 120.0 . .
O6 C21 O5 125.2(15) . .
O6 C21 C7 117.4(13) . 4_576
O5 C21 C7 117.5(15) . 4_576
O10 C23 O9 123.3(14) . .
O10 C23 C15 123.3(15) . .
O9 C23 C15 113.4(14) . .
C38 C24 C30 119.6(14) . .
C38 C24 O16 118.4(15) . .
C30 C24 O16 122.0(15) . .
C43 C25 C45 117.9(16) . .
C43 C25 C32 124.8(16) . .
C45 C25 C32 117.2(17) . .
C16 C26 C18 118.9(13) . .
C16 C26 C41 120.5(15) . .
C18 C26 C41 120.6(15) . .
C17 C27 C38 119.3(16) . .
C17 C27 H27 120.3 . .
C38 C27 H27 120.3 . .
C44 C28 C34 117.5(14) . .
C44 C28 C42 123.2(14) . .
C34 C28 C42 119.3(15) . .
O2 C29 O1 126.5(15) . .
O2 C29 C9 116.3(13) . .
O1 C29 C9 117.2(15) . .
C24 C30 C37 120.7(16) . .
C24 C30 H30 119.6 . .
C37 C30 H30 119.6 . .
O14 C32 C25 108.9(15) . .
O14 C32 H32A 109.9 . .
C25 C32 H32A 109.9 . .
O14 C32 H32B 109.9 . .
C25 C32 H32B 109.9 . .
H32A C32 H32B 108.3 . .
C59 C33 C1 122(3) . .
C59 C33 C61B 125(4) . .
C1 C33 C61B 111(4) . .
C59 C33 C61A 106(7) . .
C1 C33 C61A 130(6) . .
C61B C33 C61A 31(5) . .
C36 C34 C28 119.5(16) . .
C36 C34 H34 120.2 . .
C28 C34 H34 120.2 . .
C48 C35 C47 121.0(18) . .
C48 C35 O14 115(2) . .
C47 C35 O14 123.7(19) . .
N3 C36 C34 122.8(15) . .
N3 C36 H36 118.6 . .
C34 C36 H36 118.6 . .
C17 C37 C30 119.5(16) . .
C17 C37 H37 120.3 . .
C30 C37 H37 120.3 . .
C24 C38 C27 121.2(17) . .
C24 C38 H38 119.4 . .
C27 C38 H38 119.4 . .
C53 C39 C48 123(2) . .
C53 C39 H39 118.5 . .
C48 C39 H39 118.5 . .
O11 C41 O12 123.7(15) . .
O11 C41 C26 122.0(16) . .
O12 C41 C26 114.3(15) . .
O15 C42 C28 108.2(13) . .
O15 C42 H42A 110.1 . .
C28 C42 H42A 110.1 . .
O15 C42 H42B 110.1 . .
C28 C42 H42B 110.1 . .
H42A C42 H42B 108.4 . .
C25 C43 C50 120.4(18) . .
C25 C43 H43 119.8 . .
C50 C43 H43 119.8 . .
C28 C44 C46 119.9(15) . .
C28 C44 H44 120.0 . .
C46 C44 H44 120.0 . .
C52 C45 C25 118.2(18) . .
C52 C45 H45 120.9 . .
C25 C45 H45 120.9 . .
N3 C46 C44 122.8(16) . .
N3 C46 H46 118.6 . .
C44 C46 H46 118.6 . .
C35 C47 C51 119(2) . .
C35 C47 H47 120.4 . .
C51 C47 H47 120.4 . .
C35 C48 C39 118(2) . .
C35 C48 H48 121.2 . .
C39 C48 H48 121.2 . .
N1 C49A C58A 121(6) . .
N1 C49A H49A 119.3 . .
C58A C49A H49A 119.3 . .
N1 C49B C58B 122(6) . .
N1 C49B H49B 118.9 . .
C58B C49B H49B 118.9 . .
N2 C50 C43 122.1(18) . .
N2 C50 H50 119.0 . .
C43 C50 H50 119.0 . .
C53 C51 C47 121(2) . .
C53 C51 H51 119.6 . .
C47 C51 H51 119.6 . .
N2 C52 C45 124.1(17) . .
N2 C52 H52 117.9 . .
C45 C52 H52 117.9 . .
C51 C53 C39 118.2(18) . .
C51 C53 O13 127(2) . .
C39 C53 O13 115.1(19) . .
O13 C56 C57 104(2) . .
O13 C56 H56A 111.0 . .
C57 C56 H56A 111.0 . .
O13 C56 H56B 111.0 . .
C57 C56 H56B 111.0 . .
H56A C56 H56B 109.0 . .
C58B C57 C58A 39(3) . .
C58B C57 C40 118(4) . .
C58A C57 C40 116(3) . .
C58B C57 C56 124(4) . .
C58A C57 C56 123(4) . .
C40 C57 C56 115(3) . .
C57 C58A C49A 121(6) . .
C57 C58A H58A 119.6 . .
C49A C58A H58A 119.6 . .
C57 C58B C49B 120(6) . .
C57 C58B H58B 120.0 . .
C49B C58B H58B 120.0 . .
C33 C59 C60A 119(4) . .
C33 C59 C60B 122(4) . .
C60A C59 C60B 28(3) . .
C33 C59 H59 120.5 . .
C60A C59 H59 120.5 . .
C60B C59 H59 110.3 . .
N4 C60A C59 121(6) . .
N4 C60A H60A 119.4 . .
C59 C60A H60A 119.4 . .
N4 C60B C59 102(8) . .
N4 C60B H60B 129.0 . .
C59 C60B H60B 129.0 . .
N1 C62 C40 124(3) . .
N1 C62 H62 117.8 . .
C40 C62 H62 117.8 . .
C62 N1 C49B 114(3) . .
C62 N1 C49A 115(3) . .
C49B N1 C49A 32(3) . .
C62 N1 Zn2 124.2(15) . .
C49B N1 Zn2 120(3) . .
C49A N1 Zn2 117(3) . .
C50 N2 C52 116.9(14) . .
O16 C61A C33 107(8) . .
O16 C61A H61A 110.4 . .
C33 C61A H61A 110.4 . .
O16 C61A H61B 110.4 . .
C33 C61A H61B 110.4 . .
H61A C61A H61B 108.6 . .
O16 C61B C33 109(5) . .
O16 C61B H61C 109.9 . .
C33 C61B H61C 109.9 . .
O16 C61B H61D 109.9 . .
C33 C61B H61D 109.9 . .
H61C C61B H61D 108.3 . .
C46 N3 C36 117.4(12) . .
C46 N3 Zn1 122.9(11) . .
C36 N3 Zn1 119.0(9) . .
C60A N4 C54 120(4) . .
C60A N4 C60B 33(4) . .
C54 N4 C60B 123(4) . .
C29 O1 Zn1 121.1(11) . .
C29 O2 Zn2 133.5(10) . .
C19 O3 Zn2 140.0(11) . 4_565
C19 O4 Zn1 114.7(11) . 4_565
C21 O5 Zn2 124.7(10) . .
C21 O6 Zn1 131.3(10) . .
C14 O7 Zn1 146.4(10) . .
C14 O8 Zn2 109.4(10) . .
C23 O9 H9 109.5 . .
C41 O12 H12 109.5 . .
C53 O13 C56 113.5(18) . .
C35 O14 C32 116.5(15) . .
C17 O15 C42 117.2(13) . .
C61B O16 C61A 39(6) . .
C61B O16 C24 115(3) . .
C61A O16 C24 117(4) . .
O6 Zn1 N3 95.7(5) . .
O6 Zn1 O1 161.1(4) . .
N3 Zn1 O1 101.9(5) . .
O6 Zn1 O4 91.3(5) . 4_566
N3 Zn1 O4 111.6(5) . 4_566
O1 Zn1 O4 88.6(4) . 4_566
O6 Zn1 O7 85.5(5) . .
N3 Zn1 O7 94.5(5) . .
O1 Zn1 O7 86.2(5) . .
O4 Zn1 O7 153.8(4) 4_566 .
O6 Zn1 Zn2 76.9(3) . .
N3 Zn1 Zn2 157.9(4) . .
O1 Zn1 Zn2 84.1(3) . .
O4 Zn1 Zn2 89.6(3) 4_566 .
O7 Zn1 Zn2 64.4(3) . .
O5 Zn2 O8 90.5(4) . .
O5 Zn2 N1 105.9(5) . .
O8 Zn2 N1 103.3(5) . .
O5 Zn2 O2 156.3(4) . .
O8 Zn2 O2 93.1(5) . .
N1 Zn2 O2 96.1(5) . .
O5 Zn2 O3 85.6(5) . 4_566
O8 Zn2 O3 161.9(4) . 4_566
N1 Zn2 O3 94.8(5) . 4_566
O2 Zn2 O3 83.7(5) . 4_566
O5 Zn2 Zn1 81.8(3) . .
O8 Zn2 Zn1 93.5(3) . .
N1 Zn2 Zn1 161.4(4) . .
O2 Zn2 Zn1 74.6(3) . .
O3 Zn2 Zn1 68.5(3) 4_566 .
N4 C54 C1 121(3) . .
N4 C54 H54 119.7 . .
C1 C54 H54 119.7 . .
C62 C40 C57 115(3) . .
C62 C40 H40 122.6 . .
C57 C40 H40 122.6 . .
C33 C1 C54 113(3) . .
C33 C1 H1 123.7 . .
C54 C1 H1 123.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C3 C7 1.392(18) .
C3 C15 1.38(2) .
C3 H3 0.9300 .
C5 C10 1.37(2) .
C5 C9 1.40(2) .
C5 H5 0.9300 .
C6 C7 1.383(19) .
C6 C11 1.395(19) .
C6 H6 0.9300 .
C7 C21 1.49(2) 4_575
C9 C16 1.401(18) .
C9 C29 1.49(2) .
C10 C18 1.403(18) .
C10 C19 1.50(2) .
C11 C20 1.388(18) .
C11 C14 1.51(2) .
C14 O7 1.248(18) .
C14 O8 1.250(16) .
C15 C20 1.41(2) .
C15 C23 1.489(19) .
C16 C26 1.36(2) .
C16 H16 0.9300 .
C17 C27 1.37(2) .
C17 C37 1.37(2) .
C17 O15 1.393(16) .
C18 C26 1.40(2) .
C18 H18 0.9300 .
C19 O3 1.232(19) .
C19 O4 1.246(16) .
C20 H20 0.9300 .
C21 O6 1.258(18) .
C21 O5 1.267(16) .
C21 C7 1.49(2) 4_576
C23 O10 1.201(18) .
C23 O9 1.306(19) .
C24 C38 1.34(2) .
C24 C30 1.36(2) .
C24 O16 1.375(17) .
C25 C43 1.34(2) .
C25 C45 1.38(2) .
C25 C32 1.51(2) .
C26 C41 1.492(19) .
C27 C38 1.384(19) .
C27 H27 0.9300 .
C28 C44 1.36(2) .
C28 C34 1.39(2) .
C28 C42 1.487(19) .
C29 O2 1.248(18) .
C29 O1 1.258(16) .
C30 C37 1.381(19) .
C30 H30 0.9300 .
C32 O14 1.414(19) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C33 C59 1.27(4) .
C33 C1 1.38(4) .
C33 C61B 1.61(6) .
C33 C61A 1.61(10) .
C34 C36 1.363(19) .
C34 H34 0.9300 .
C35 C48 1.36(3) .
C35 C47 1.37(3) .
C35 O14 1.383(19) .
C36 N3 1.357(19) .
C36 H36 0.9300 .
C37 H37 0.9300 .
C38 H38 0.9300 .
C39 C53 1.36(3) .
C39 C48 1.39(2) .
C39 H39 0.9300 .
C41 O11 1.201(19) .
C41 O12 1.31(2) .
C42 O15 1.424(19) .
C42 H42A 0.9700 .
C42 H42B 0.9700 .
C43 C50 1.41(2) .
C43 H43 0.9300 .
C44 C46 1.394(19) .
C44 H44 0.9300 .
C45 C52 1.39(2) .
C45 H45 0.9300 .
C46 N3 1.310(18) .
C46 H46 0.9300 .
C47 C51 1.40(2) .
C47 H47 0.9300 .
C48 H48 0.9300 .
C49A N1 1.36(6) .
C49A C58A 1.39(6) .
C49A H49A 0.9300 .
C49B N1 1.30(6) .
C49B C58B 1.47(7) .
C49B H49B 0.9300 .
C50 N2 1.32(2) .
C50 H50 0.9300 .
C51 C53 1.35(3) .
C51 H51 0.9300 .
C52 N2 1.32(2) .
C52 H52 0.9300 .
C53 O13 1.38(2) .
C56 O13 1.42(3) .
C56 C57 1.59(3) .
C56 H56A 0.9700 .
C56 H56B 0.9700 .
C57 C58B 1.19(6) .
C57 C58A 1.28(6) .
C57 C40 1.44(3) .
C58A H58A 0.9300 .
C58B H58B 0.9300 .
C59 C60A 1.42(6) .
C59 C60B 1.62(11) .
C59 H59 0.9300 .
C60A N4 1.24(7) .
C60A H60A 0.9300 .
C60B N4 1.36(10) .
C60B H60B 0.9300 .
C62 N1 1.30(3) .
C62 C40 1.41(3) .
C62 H62 0.9300 .
N1 Zn2 2.044(12) .
C61A O16 1.30(11) .
C61A H61A 0.9700 .
C61A H61B 0.9700 .
C61B O16 1.25(6) .
C61B H61C 0.9700 .
C61B H61D 0.9700 .
N3 Zn1 2.025(10) .
N4 C54 1.33(3) .
O1 Zn1 2.035(10) .
O2 Zn2 2.048(11) .
O3 Zn2 2.105(11) 4_565
O4 Zn1 2.044(10) 4_565
O5 Zn2 2.024(10) .
O6 Zn1 2.025(11) .
O7 Zn1 2.078(11) .
O8 Zn2 2.038(10) .
O9 H9 0.8200 .
O12 H12 0.8200 .
Zn1 O4 2.044(10) 4_566
Zn1 Zn2 2.989(2) .
Zn2 O3 2.105(11) 4_566
C54 C1 1.50(3) .
C54 H54 0.9300 .
C40 H40 0.9300 .
C1 H1 0.9300 .
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
C11 C6 C7 C3 -2(2) . .
C11 C6 C7 C21 -179.5(14) . 4_575
C15 C3 C7 C6 5(2) . .
C15 C3 C7 C21 -177.8(14) . 4_575
C10 C5 C9 C16 1(2) . .
C10 C5 C9 C29 -179.5(15) . .
C9 C5 C10 C18 -1(2) . .
C9 C5 C10 C19 175.0(15) . .
C7 C6 C11 C20 -2(2) . .
C7 C6 C11 C14 175.7(14) . .
C20 C11 C14 O7 -11(2) . .
C6 C11 C14 O7 171.6(15) . .
C20 C11 C14 O8 164.9(14) . .
C6 C11 C14 O8 -12(2) . .
C7 C3 C15 C20 -4(2) . .
C7 C3 C15 C23 174.6(14) . .
C5 C9 C16 C26 1(3) . .
C29 C9 C16 C26 -178.9(16) . .
C5 C10 C18 C26 0(3) . .
C19 C10 C18 C26 -176.4(15) . .
C5 C10 C19 O3 169.8(16) . .
C18 C10 C19 O3 -14(2) . .
C5 C10 C19 O4 -10(2) . .
C18 C10 C19 O4 166.6(15) . .
C6 C11 C20 C15 3(2) . .
C14 C11 C20 C15 -174.9(14) . .
C3 C15 C20 C11 0(2) . .
C23 C15 C20 C11 -178.3(15) . .
C3 C15 C23 O10 6(2) . .
C20 C15 C23 O10 -175.2(16) . .
C3 C15 C23 O9 -171.6(15) . .
C20 C15 C23 O9 7(2) . .
C9 C16 C26 C18 -2(3) . .
C9 C16 C26 C41 179.3(16) . .
C10 C18 C26 C16 1(3) . .
C10 C18 C26 C41 -179.8(16) . .
C37 C17 C27 C38 3(3) . .
O15 C17 C27 C38 -179.3(17) . .
C5 C9 C29 O2 153.1(15) . .
C16 C9 C29 O2 -27(2) . .
C5 C9 C29 O1 -29(2) . .
C16 C9 C29 O1 151.0(15) . .
C38 C24 C30 C37 0(3) . .
O16 C24 C30 C37 179.8(17) . .
C43 C25 C32 O14 -6(3) . .
C45 C25 C32 O14 170.4(17) . .
C44 C28 C34 C36 -1(3) . .
C42 C28 C34 C36 179.7(18) . .
C28 C34 C36 N3 1(3) . .
C27 C17 C37 C30 -2(3) . .
O15 C17 C37 C30 179.8(16) . .
C24 C30 C37 C17 1(3) . .
C30 C24 C38 C27 1(3) . .
O16 C24 C38 C27 -179.1(17) . .
C17 C27 C38 C24 -2(3) . .
C16 C26 C41 O11 -6(3) . .
C18 C26 C41 O11 175.3(18) . .
C16 C26 C41 O12 175.6(17) . .
C18 C26 C41 O12 -3(3) . .
C44 C28 C42 O15 -15(3) . .
C34 C28 C42 O15 164.1(17) . .
C45 C25 C43 C50 4(3) . .
C32 C25 C43 C50 179.9(19) . .
C34 C28 C44 C46 2(3) . .
C42 C28 C44 C46 -179.6(19) . .
C43 C25 C45 C52 -6(3) . .
C32 C25 C45 C52 177.0(18) . .
C28 C44 C46 N3 -1(3) . .
C48 C35 C47 C51 -3(3) . .
O14 C35 C47 C51 -178.6(19) . .
C47 C35 C48 C39 3(3) . .
O14 C35 C48 C39 178.6(19) . .
C53 C39 C48 C35 -2(4) . .
C25 C43 C50 N2 2(3) . .
C35 C47 C51 C53 2(3) . .
C25 C45 C52 N2 4(3) . .
C47 C51 C53 C39 -1(3) . .
C47 C51 C53 O13 -179(2) . .
C48 C39 C53 C51 1(4) . .
C48 C39 C53 O13 179(2) . .
O13 C56 C57 C58B 10(6) . .
O13 C56 C57 C58A -37(5) . .
O13 C56 C57 C40 171(2) . .
C58B C57 C58A C49A 76(8) . .
C40 C57 C58A C49A -27(8) . .
C56 C57 C58A C49A -179(5) . .
N1 C49A C58A C57 9(11) . .
C58A C57 C58B C49B -75(9) . .
C40 C57 C58B C49B 22(9) . .
C56 C57 C58B C49B -178(6) . .
N1 C49B C58B C57 -3(13) . .
C1 C33 C59 C60A -19(7) . .
C61B C33 C59 C60A 179(7) . .
C61A C33 C59 C60A 152(8) . .
C1 C33 C59 C60B 13(8) . .
C61B C33 C59 C60B -149(8) . .
C61A C33 C59 C60B -176(9) . .
C33 C59 C60A N4 24(12) . .
C60B C59 C60A N4 -81(15) . .
C33 C59 C60B N4 -40(10) . .
C60A C59 C60B N4 52(11) . .
C40 C62 N1 C49B 20(6) . .
C40 C62 N1 C49A -15(5) . .
C40 C62 N1 Zn2 -174.2(17) . .
C58B C49B N1 C62 -18(10) . .
C58B C49B N1 C49A 82(11) . .
C58B C49B N1 Zn2 176(6) . .
C58A C49A N1 C62 14(8) . .
C58A C49A N1 C49B -82(10) . .
C58A C49A N1 Zn2 174(5) . .
C43 C50 N2 C52 -4(3) . .
C45 C52 N2 C50 1(3) . .
C59 C33 C61A O16 72(13) . .
C1 C33 C61A O16 -119(8) . .
C61B C33 C61A O16 -60(11) . .
C59 C33 C61B O16 6(10) . .
C1 C33 C61B O16 -158(6) . .
C61A C33 C61B O16 66(9) . .
C44 C46 N3 C36 0(3) . .
C44 C46 N3 Zn1 -170.3(15) . .
C34 C36 N3 C46 0(3) . .
C34 C36 N3 Zn1 170.9(15) . .
C59 C60A N4 C54 -18(12) . .
C59 C60A N4 C60B 87(14) . .
C59 C60B N4 C60A -50(10) . .
C59 C60B N4 C54 46(10) . .
O2 C29 O1 Zn1 5(2) . .
C9 C29 O1 Zn1 -172.9(10) . .
O1 C29 O2 Zn2 -3(3) . .
C9 C29 O2 Zn2 175.4(10) . .
O4 C19 O3 Zn2 -18(3) . 4_565
C10 C19 O3 Zn2 162.7(11) . 4_565
O3 C19 O4 Zn1 10(2) . 4_565
C10 C19 O4 Zn1 -170.3(10) . 4_565
O6 C21 O5 Zn2 -5(2) . .
C7 C21 O5 Zn2 173.1(9) 4_576 .
O5 C21 O6 Zn1 5(2) . .
C7 C21 O6 Zn1 -173.7(9) 4_576 .
O8 C14 O7 Zn1 -17(3) . .
C11 C14 O7 Zn1 158.9(14) . .
O7 C14 O8 Zn2 8(2) . .
C11 C14 O8 Zn2 -167.1(10) . .
C51 C53 O13 C56 -12(3) . .
C39 C53 O13 C56 170(2) . .
C57 C56 O13 C53 178.2(19) . .
C48 C35 O14 C32 179.2(19) . .
C47 C35 O14 C32 -5(3) . .
C25 C32 O14 C35 178.1(17) . .
C27 C17 O15 C42 3(3) . .
C37 C17 O15 C42 -178.3(16) . .
C28 C42 O15 C17 175.2(15) . .
C33 C61B O16 C61A -67(8) . .
C33 C61B O16 C24 -170(4) . .
C33 C61A O16 C61B 65(10) . .
C33 C61A O16 C24 162(6) . .
C38 C24 O16 C61B -107(6) . .
C30 C24 O16 C61B 73(6) . .
C38 C24 O16 C61A -151(11) . .
C30 C24 O16 C61A 29(11) . .
C21 O6 Zn1 N3 157.2(13) . .
C21 O6 Zn1 O1 -1(2) . .
C21 O6 Zn1 O4 -90.9(13) . 4_566
C21 O6 Zn1 O7 63.0(13) . .
C21 O6 Zn1 Zn2 -1.7(13) . .
C46 N3 Zn1 O6 19.9(15) . .
C36 N3 Zn1 O6 -150.4(13) . .
C46 N3 Zn1 O1 -167.1(14) . .
C36 N3 Zn1 O1 22.6(14) . .
C46 N3 Zn1 O4 -73.8(15) . 4_566
C36 N3 Zn1 O4 115.9(13) . 4_566
C46 N3 Zn1 O7 105.9(14) . .
C36 N3 Zn1 O7 -64.5(14) . .
C46 N3 Zn1 Zn2 88.9(16) . .
C36 N3 Zn1 Zn2 -81.4(17) . .
C29 O1 Zn1 O6 -4(2) . .
C29 O1 Zn1 N3 -162.4(11) . .
C29 O1 Zn1 O4 85.8(12) . 4_566
C29 O1 Zn1 O7 -68.5(11) . .
C29 O1 Zn1 Zn2 -4.0(11) . .
C14 O7 Zn1 O6 -67(2) . .
C14 O7 Zn1 N3 -162(2) . .
C14 O7 Zn1 O1 96(2) . .
C14 O7 Zn1 O4 17(3) . 4_566
C14 O7 Zn1 Zn2 10.8(19) . .
C21 O5 Zn2 O8 -90.5(12) . .
C21 O5 Zn2 N1 165.6(12) . .
C21 O5 Zn2 O2 8.5(19) . .
C21 O5 Zn2 O3 71.9(12) . 4_566
C21 O5 Zn2 Zn1 3.0(11) . .
C14 O8 Zn2 O5 79.5(11) . .
C14 O8 Zn2 N1 -174.1(11) . .
C14 O8 Zn2 O2 -77.0(11) . .
C14 O8 Zn2 O3 2(2) . 4_566
C14 O8 Zn2 Zn1 -2.3(10) . .
C62 N1 Zn2 O5 22.4(19) . .
C49B N1 Zn2 O5 -173(5) . .
C49A N1 Zn2 O5 -136(4) . .
C62 N1 Zn2 O8 -72.0(18) . .
C49B N1 Zn2 O8 93(5) . .
C49A N1 Zn2 O8 130(4) . .
C62 N1 Zn2 O2 -166.7(18) . .
C49B N1 Zn2 O2 -2(5) . .
C49A N1 Zn2 O2 35(4) . .
C62 N1 Zn2 O3 109.2(18) . 4_566
C49B N1 Zn2 O3 -86(5) . 4_566
C49A N1 Zn2 O3 -49(4) . 4_566
C62 N1 Zn2 Zn1 134.6(16) . .
C49B N1 Zn2 Zn1 -61(5) . .
C49A N1 Zn2 Zn1 -24(4) . .
C29 O2 Zn2 O5 -6(2) . .
C29 O2 Zn2 O8 92.3(15) . .
C29 O2 Zn2 N1 -164.0(15) . .
C29 O2 Zn2 O3 -69.9(15) . 4_566
C29 O2 Zn2 Zn1 -0.4(14) . .
O6 Zn1 Zn2 O5 -0.6(4) . .
N3 Zn1 Zn2 O5 -73.1(10) . .
O1 Zn1 Zn2 O5 179.5(4) . .
O4 Zn1 Zn2 O5 90.9(4) 4_566 .
O7 Zn1 Zn2 O5 -91.9(5) . .
O6 Zn1 Zn2 O8 89.4(5) . .
N3 Zn1 Zn2 O8 16.9(10) . .
O1 Zn1 Zn2 O8 -90.5(4) . .
O4 Zn1 Zn2 O8 -179.1(5) 4_566 .
O7 Zn1 Zn2 O8 -1.9(5) . .
O6 Zn1 Zn2 N1 -116.5(13) . .
N3 Zn1 Zn2 N1 171.1(16) . .
O1 Zn1 Zn2 N1 63.7(13) . .
O4 Zn1 Zn2 N1 -25.0(13) 4_566 .
O7 Zn1 Zn2 N1 152.3(13) . .
O6 Zn1 Zn2 O2 -178.3(5) . .
N3 Zn1 Zn2 O2 109.2(10) . .
O1 Zn1 Zn2 O2 1.8(4) . .
O4 Zn1 Zn2 O2 -86.9(5) 4_566 .
O7 Zn1 Zn2 O2 90.4(5) . .
O6 Zn1 Zn2 O3 -89.1(5) . 4_566
N3 Zn1 Zn2 O3 -161.6(10) . 4_566
O1 Zn1 Zn2 O3 91.0(5) . 4_566
O4 Zn1 Zn2 O3 2.3(5) 4_566 4_566
O7 Zn1 Zn2 O3 179.6(5) . 4_566
C60A N4 C54 C1 9(8) . .
C60B N4 C54 C1 -30(9) . .
N1 C62 C40 C57 -3(4) . .
C58B C57 C40 C62 -20(6) . .
C58A C57 C40 C62 24(5) . .
C56 C57 C40 C62 178(2) . .
C59 C33 C1 C54 9(5) . .
C61B C33 C1 C54 173(4) . .
C61A C33 C1 C54 -159(9) . .
N4 C54 C1 C33 -3(4) . .
