#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:31:51 +0100 (Fri 25 de Mar de 2016) $
#$Revision: 179923 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/18/7021841.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_7021841
loop_
_publ_author_name
'Jin, Zhao'
'He, Hongming'
'Zhao, Huanyu'
'Borjigin, Tsolmon'
'Sun, Fuxing'
'Zhang, Daming'
'Zhu, Guangshan'
_publ_section_title
;
 A luminescent metal-organic framework for sensing methanol in ethanol
 solution.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13335
_journal_page_last               13338
_journal_paper_doi               10.1039/c3dt51414e
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C50 H26 N4 O14 Zn3, O'
_chemical_formula_sum            'C50 H26 N4 O15 Zn3'
_chemical_formula_weight         1118.86
_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                 101.897(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.235(2)
_cell_length_b                   14.898(3)
_cell_length_c                   30.275(6)
_cell_measurement_temperature    293(2)
_cell_volume                     4517.2(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0566
_diffrn_reflns_av_sigmaI/netI    0.0822
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            28285
_diffrn_reflns_theta_full        28.42
_diffrn_reflns_theta_max         28.42
_diffrn_reflns_theta_min         1.37
_exptl_absorpt_coefficient_mu    1.659
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.645
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2256
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.953
_refine_diff_density_min         -0.711
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     685
_refine_ls_number_reflns         10948
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.1154
_refine_ls_R_factor_gt           0.0567
_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)+(0.0795P)²+0.5769P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1408
_refine_ls_wR_factor_ref         0.1657
_reflns_number_gt                6198
_reflns_number_total             10948
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt51414e.txt
_cod_data_source_block           p21n
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7021841
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 -0.13996(5) 0.49848(4) -0.023977(17) 0.03452(15) Uani 1 1 d .
Zn2 Zn 0.09465(5) 0.29223(4) -0.292160(18) 0.03642(16) Uani 1 1 d .
Zn3 Zn -0.16238(6) 0.53983(4) -0.313749(19) 0.04276(17) Uani 1 1 d .
C1 C 0.0621(5) 0.4553(3) -0.07516(16) 0.0401(12) Uani 1 1 d .
C2 C 0.1106(4) 0.4330(3) -0.11719(15) 0.0357(11) Uani 1 1 d .
C3 C 0.2399(5) 0.4030(3) -0.11369(16) 0.0425(12) Uani 1 1 d .
H3 H 0.2931 0.3931 -0.0853 0.051 Uiso 1 1 calc R
C4 C 0.0337(4) 0.4476(3) -0.15945(15) 0.0356(11) Uani 1 1 d .
H4 H -0.0531 0.4687 -0.1620 0.043 Uiso 1 1 calc R
C5 C 0.2910(5) 0.3875(3) -0.15136(16) 0.0422(12) Uani 1 1 d .
H5 H 0.3784 0.3676 -0.1485 0.051 Uiso 1 1 calc R
C6 C 0.0816(4) 0.4317(3) -0.19851(15) 0.0317(10) Uani 1 1 d .
C7 C -0.0043(4) 0.4498(3) -0.24352(15) 0.0345(11) Uani 1 1 d .
C8 C 0.2122(4) 0.4016(3) -0.19383(14) 0.0323(10) Uani 1 1 d .
C9 C 0.3827(4) 0.3470(3) -0.22931(15) 0.0375(11) Uani 1 1 d .
C10 C 0.4926(5) 0.3956(4) -0.23434(17) 0.0490(13) Uani 1 1 d .
H10 H 0.4874 0.4574 -0.2388 0.059 Uiso 1 1 calc R
C11 C 0.3873(5) 0.2557(4) -0.22244(15) 0.0412(12) Uani 1 1 d .
C12 C 0.2672(5) 0.2005(4) -0.21652(17) 0.0419(12) Uani 1 1 d .
C13 C 0.6111(5) 0.3500(5) -0.2326(2) 0.0640(18) Uani 1 1 d .
H13 H 0.6873 0.3810 -0.2361 0.077 Uiso 1 1 calc R
C14 C 0.5073(5) 0.2118(4) -0.22000(19) 0.0541(14) Uani 1 1 d .
H14 H 0.5130 0.1504 -0.2145 0.065 Uiso 1 1 calc R
C15 C 0.6162(5) 0.2577(5) -0.22556(19) 0.0639(17) Uani 1 1 d .
H15 H 0.6960 0.2272 -0.2247 0.077 Uiso 1 1 calc R
C16 C -0.0428(5) 0.3341(4) 0.01471(16) 0.0427(12) Uani 1 1 d .
C17 C -0.0430(5) 0.2359(3) 0.02470(16) 0.0394(12) Uani 1 1 d .
C18 C -0.1610(5) 0.1889(4) 0.01344(19) 0.0530(15) Uani 1 1 d .
H18 H -0.2379 0.2194 -0.0004 0.064 Uiso 1 1 calc R
C19 C 0.0707(5) 0.1883(4) 0.04471(16) 0.0428(12) Uani 1 1 d .
C20 C -0.1696(6) 0.0981(5) 0.0219(2) 0.0691(18) Uani 1 1 d .
H20 H -0.2504 0.0678 0.0135 0.083 Uiso 1 1 calc R
C21 C 0.0629(6) 0.0981(4) 0.05370(19) 0.0579(15) Uani 1 1 d .
H21 H 0.1396 0.0671 0.0672 0.070 Uiso 1 1 calc R
C22 C -0.0566(7) 0.0534(4) 0.0431(2) 0.0700(18) Uani 1 1 d .
H22 H -0.0610 -0.0071 0.0502 0.084 Uiso 1 1 calc R
C23 C 0.3054(5) 0.1875(4) 0.07337(18) 0.0486(13) Uani 1 1 d .
C24 C 0.2593(5) 0.2109(4) 0.15039(18) 0.0452(13) Uani 1 1 d .
C25 C 0.3436(4) 0.1785(3) 0.11932(17) 0.0387(11) Uani 1 1 d .
C26 C 0.3819(7) 0.1538(5) 0.0449(2) 0.075(2) Uani 1 1 d .
H26 H 0.3559 0.1603 0.0138 0.090 Uiso 1 1 calc R
C27 C 0.4613(5) 0.1343(3) 0.13724(18) 0.0461(13) Uani 1 1 d .
H27 H 0.4880 0.1282 0.1684 0.055 Uiso 1 1 calc R
C28 C 0.5003(7) 0.1092(5) 0.0643(2) 0.079(2) Uani 1 1 d .
H28 H 0.5532 0.0859 0.0455 0.095 Uiso 1 1 calc R
C29 C 0.5402(5) 0.0991(4) 0.1093(2) 0.0481(13) Uani 1 1 d .
C30 C 0.6632(6) 0.0477(4) 0.1294(3) 0.070(2) Uani 1 1 d .
C31 C 0.1042(6) 0.5466(4) -0.3357(2) 0.0638(17) Uani 1 1 d .
H31 H 0.1144 0.4926 -0.3199 0.077 Uiso 1 1 calc R
C32 C -0.0232(6) 0.6641(5) -0.3636(2) 0.079(2) Uani 1 1 d .
H32 H -0.1039 0.6950 -0.3680 0.095 Uiso 1 1 calc R
C33 C 0.2093(6) 0.5781(4) -0.3532(2) 0.0645(17) Uani 1 1 d .
H33 H 0.2886 0.5457 -0.3485 0.077 Uiso 1 1 calc R
C34 C 0.0786(6) 0.6989(5) -0.3824(2) 0.081(2) Uani 1 1 d .
H34 H 0.0645 0.7522 -0.3987 0.097 Uiso 1 1 calc R
C35 C 0.1989(5) 0.6568(4) -0.37744(18) 0.0474(13) Uani 1 1 d .
C36 C 0.3093(5) 0.6917(4) -0.39658(18) 0.0485(13) Uani 1 1 d .
C37 C 0.4067(6) 0.6356(4) -0.4069(2) 0.0662(17) Uani 1 1 d .
H37 H 0.4033 0.5745 -0.4011 0.079 Uiso 1 1 calc R
C38 C 0.3218(6) 0.7814(4) -0.40651(18) 0.0535(14) Uani 1 1 d .
H38 H 0.2609 0.8232 -0.4001 0.064 Uiso 1 1 calc R
C39 C 0.5073(7) 0.6686(6) -0.4254(3) 0.082(2) Uani 1 1 d .
H39 H 0.5719 0.6288 -0.4311 0.098 Uiso 1 1 calc R
C40 C 0.4258(6) 0.8082(4) -0.4261(2) 0.0631(17) Uani 1 1 d .
H40 H 0.4309 0.8687 -0.4331 0.076 Uiso 1 1 calc R
C41 C -0.3531(5) 0.5455(4) -0.10097(16) 0.0451(13) Uani 1 1 d .
H41 H -0.2912 0.5241 -0.1170 0.054 Uiso 1 1 calc R
C42 C -0.4142(5) 0.5724(4) -0.03444(17) 0.0550(15) Uani 1 1 d .
H42 H -0.3958 0.5701 -0.0031 0.066 Uiso 1 1 calc R
C43 C -0.4715(5) 0.5808(4) -0.12439(16) 0.0452(13) Uani 1 1 d .
H43 H -0.4883 0.5822 -0.1558 0.054 Uiso 1 1 calc R
C44 C -0.5343(5) 0.6085(4) -0.05645(17) 0.0542(15) Uani 1 1 d .
H44 H -0.5950 0.6294 -0.0398 0.065 Uiso 1 1 calc R
C45 C -0.5645(4) 0.6138(3) -0.10230(15) 0.0324(10) Uani 1 1 d .
C46 C -0.6921(4) 0.6532(3) -0.12716(15) 0.0335(10) Uani 1 1 d .
C47A C -0.7633(17) 0.7123(14) -0.1069(6) 0.041(4) Uani 0.30 1 d P
C47B C -0.8038(7) 0.6540(7) -0.1079(3) 0.045(2) Uani 0.70 1 d P
C48A C -0.7331(13) 0.6422(11) -0.1730(5) 0.064(4) Uani 0.50 1 d P
C48B C -0.6981(11) 0.6979(8) -0.1673(4) 0.039(3) Uani 0.50 1 d P
C49A C -0.8535(14) 0.6765(12) -0.1954(4) 0.047(4) Uani 0.40 1 d P
C49B C -0.8149(10) 0.7332(8) -0.1890(4) 0.052(3) Uani 0.60 1 d P
C50A C -0.8763(19) 0.7512(16) -0.1325(6) 0.049(5) Uani 0.30 1 d P
C50B C -0.9189(8) 0.6916(7) -0.1319(3) 0.049(2) Uani 0.70 1 d P
N1 N -0.0111(4) 0.5900(3) -0.34026(14) 0.0460(11) Uani 1 1 d .
N2 N 0.5182(5) 0.7546(4) -0.43567(17) 0.0685(14) Uani 1 1 d .
N3 N -0.3244(3) 0.5408(3) -0.05613(12) 0.0344(9) Uani 1 1 d .
N4 N -0.9283(4) 0.7277(3) -0.17317(13) 0.0398(10) Uani 1 1 d .
O1 O -0.0611(3) 0.4599(3) -0.07786(11) 0.0540(10) Uani 1 1 d .
O2 O 0.1496(3) 0.4678(3) -0.04062(11) 0.0528(10) Uani 1 1 d .
O3 O -0.0781(3) 0.5173(2) -0.24810(11) 0.0441(9) Uani 1 1 d .
O4 O -0.0019(3) 0.3987(2) -0.27652(10) 0.0408(8) Uani 1 1 d .
O5 O 0.2621(3) 0.3935(2) -0.23262(10) 0.0365(7) Uani 1 1 d .
O6 O 0.1530(3) 0.2197(2) -0.23863(11) 0.0428(8) Uani 1 1 d .
O9 O 0.2896(4) 0.1385(3) -0.18906(13) 0.0583(10) Uani 1 1 d .
O12 O -0.1494(4) 0.3684(2) -0.00681(12) 0.0555(10) Uani 1 1 d .
O13 O -0.0590(4) 0.6211(3) -0.02829(15) 0.0659(12) Uani 1 1 d .
O14 O 0.1911(4) 0.2336(2) 0.05457(14) 0.0601(11) Uani 1 1 d .
O15 O 0.2408(6) 0.2902(4) 0.1548(2) 0.1136(19) Uani 1 1 d U
O16 O 0.2027(4) 0.1552(3) 0.16982(13) 0.0574(10) Uani 1 1 d .
O17 O 0.7053(4) 0.0557(3) 0.17099(18) 0.0844(16) Uani 1 1 d .
O18 O 0.7155(5) -0.0022(4) 0.1053(2) 0.1011(19) Uani 1 1 d .
O19 O 0.7011(6) 0.5583(4) 0.7955(2) 0.1141(19) 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
O12 Zn1 O13 158.21(14) . .
O12 Zn1 N3 109.39(15) . .
O13 Zn1 N3 92.36(15) . .
O12 Zn1 O2 88.60(16) . 3_565
O13 Zn1 O2 86.59(18) . 3_565
N3 Zn1 O2 99.11(14) . 3_565
O12 Zn1 O1 89.03(16) . .
O13 Zn1 O1 88.18(17) . .
N3 Zn1 O1 100.65(14) . .
O2 Zn1 O1 159.74(14) 3_565 .
O12 Zn1 Zn1 88.91(10) . 3_565
O13 Zn1 Zn1 69.31(10) . 3_565
N3 Zn1 Zn1 161.09(12) . 3_565
O2 Zn1 Zn1 75.95(10) 3_565 3_565
O1 Zn1 Zn1 83.88(10) . 3_565
O16 Zn2 O6 127.79(15) 4_565 .
O16 Zn2 O4 101.24(15) 4_565 .
O6 Zn2 O4 109.30(14) . .
O16 Zn2 N4 113.90(16) 4_565 2_444
O6 Zn2 N4 104.32(15) . 2_444
O4 Zn2 N4 95.48(15) . 2_444
O17 Zn3 O9 96.95(18) 4_465 2_554
O17 Zn3 O3 104.22(19) 4_465 .
O9 Zn3 O3 103.41(14) 2_554 .
O17 Zn3 N1 136.4(2) 4_465 .
O9 Zn3 N1 107.84(18) 2_554 .
O3 Zn3 N1 104.14(16) . .
O17 Zn3 C30 28.2(2) 4_465 4_465
O9 Zn3 C30 91.89(17) 2_554 4_465
O3 Zn3 C30 132.1(2) . 4_465
N1 Zn3 C30 113.9(2) . 4_465
O2 C1 O1 126.2(4) . .
O2 C1 C2 116.1(4) . .
O1 C1 C2 117.7(4) . .
C4 C2 C3 118.6(4) . .
C4 C2 C1 122.0(4) . .
C3 C2 C1 119.2(4) . .
C5 C3 C2 121.0(4) . .
C2 C4 C6 122.0(4) . .
C3 C5 C8 119.9(4) . .
C8 C6 C4 117.9(4) . .
C8 C6 C7 121.8(4) . .
C4 C6 C7 120.2(4) . .
O3 C7 O4 120.6(4) . .
O3 C7 C6 118.6(4) . .
O4 C7 C6 120.9(4) . .
O5 C8 C5 122.0(4) . .
O5 C8 C6 117.3(4) . .
C5 C8 C6 120.5(4) . .
C10 C9 C11 122.4(5) . .
C10 C9 O5 117.5(5) . .
C11 C9 O5 120.1(4) . .
C9 C10 C13 118.0(6) . .
C9 C11 C14 118.7(5) . .
C9 C11 C12 123.3(4) . .
C14 C11 C12 118.0(5) . .
O9 C12 O6 123.6(5) . .
O9 C12 C11 116.3(5) . .
O6 C12 C11 120.1(5) . .
C10 C13 C15 119.8(5) . .
C15 C14 C11 120.2(6) . .
C14 C15 C13 121.0(5) . .
O13 C16 O12 122.4(5) 3_565 .
O13 C16 C17 119.9(4) 3_565 .
O12 C16 C17 117.7(5) . .
C18 C17 C19 117.5(5) . .
C18 C17 C16 119.0(4) . .
C19 C17 C16 123.4(5) . .
C17 C18 C20 122.5(5) . .
C21 C19 O14 121.3(5) . .
C21 C19 C17 120.4(5) . .
O14 C19 C17 118.3(5) . .
C22 C20 C18 118.7(6) . .
C22 C21 C19 120.9(5) . .
C21 C22 C20 120.0(6) . .
C25 C23 C26 121.4(5) . .
C25 C23 O14 120.6(5) . .
C26 C23 O14 118.0(5) . .
O15 C24 O16 120.5(5) . .
O15 C24 C25 120.9(5) . .
O16 C24 C25 118.5(5) . .
C23 C25 C27 119.2(5) . .
C23 C25 C24 122.0(4) . .
C27 C25 C24 118.7(5) . .
C23 C26 C28 117.8(6) . .
C25 C27 C29 120.7(5) . .
C29 C28 C26 122.2(5) . .
C28 C29 C27 118.8(5) . .
C28 C29 C30 121.5(6) . .
C27 C29 C30 119.6(6) . .
O18 C30 O17 123.4(6) . .
O18 C30 C29 119.9(7) . .
O17 C30 C29 116.6(6) . .
O18 C30 Zn3 76.4(4) . 4_666
O17 C30 Zn3 47.5(3) . 4_666
C29 C30 Zn3 161.2(5) . 4_666
N1 C31 C33 122.8(5) . .
N1 C32 C34 123.0(6) . .
C35 C33 C31 121.1(6) . .
C35 C34 C32 121.4(6) . .
C34 C35 C33 114.8(5) . .
C34 C35 C36 123.1(5) . .
C33 C35 C36 122.1(5) . .
C38 C36 C37 115.5(5) . .
C38 C36 C35 122.8(5) . .
C37 C36 C35 121.7(5) . .
C39 C37 C36 121.1(6) . .
C40 C38 C36 119.2(6) . .
N2 C39 C37 123.4(6) . .
N2 C40 C38 124.9(6) . .
N3 C41 C43 122.1(4) . .
N3 C42 C44 122.7(5) . .
C45 C43 C41 121.0(4) . .
C45 C44 C42 120.5(4) . .
C44 C45 C43 116.4(4) . .
C44 C45 C46 122.0(4) . .
C43 C45 C46 121.6(4) . .
C47A C46 C48A 116.7(9) . .
C47A C46 C48B 98.8(10) . .
C48A C46 C48B 38.5(7) . .
C47A C46 C47B 40.8(8) . .
C48A C46 C47B 108.6(7) . .
C48B C46 C47B 118.5(6) . .
C47A C46 C45 121.4(8) . .
C48A C46 C45 121.2(6) . .
C48B C46 C45 120.8(6) . .
C47B C46 C45 120.4(5) . .
C47B C47A C46 70.7(13) . .
C47B C47A C50A 93.2(17) . .
C46 C47A C50A 118.8(14) . .
C47B C47A C50B 56.3(11) . .
C46 C47A C50B 103.2(12) . .
C50A C47A C50B 36.9(10) . .
C47A C47B C50B 88.0(13) . .
C47A C47B C46 68.5(12) . .
C50B C47B C46 118.4(7) . .
C47A C47B C50A 53.0(13) . .
C50B C47B C50A 35.0(7) . .
C46 C47B C50A 98.3(8) . .
C48B C48A C46 70.9(13) . .
C48B C48A C49A 91.9(17) . .
C46 C48A C49A 120.7(11) . .
C48B C48A C49B 56.6(12) . .
C46 C48A C49B 103.6(10) . .
C49A C48A C49B 35.3(8) . .
C48A C48B C49B 89.3(14) . .
C48A C48B C46 70.6(12) . .
C49B C48B C46 119.6(9) . .
C48A C48B C49A 55.3(12) . .
C49B C48B C49A 34.0(7) . .
C46 C48B C49A 102.8(9) . .
C49B C49A N4 69.3(13) . .
C49B C49A C48A 86.3(15) . .
N4 C49A C48A 120.2(11) . .
C49B C49A C48B 53.6(11) . .
N4 C49A C48B 102.4(10) . .
C48A C49A C48B 32.8(7) . .
C49A C49B N4 70.2(12) . .
C49A C49B C48B 92.5(14) . .
N4 C49B C48B 123.1(9) . .
C49A C49B C48A 58.3(12) . .
N4 C49B C48A 105.9(9) . .
C48B C49B C48A 34.1(6) . .
C49A C49B C50A 96.2(15) . .
N4 C49B C50A 40.7(7) . .
C48B C49B C50A 92.2(9) . .
C48A C49B C50A 95.3(9) . .
C50B C50A N4 71.1(14) . .
C50B C50A C47A 86.3(19) . .
N4 C50A C47A 123.8(17) . .
C50B C50A C47B 52.5(12) . .
N4 C50A C47B 103.9(14) . .
C47A C50A C47B 33.8(10) . .
C50B C50A C49B 96.6(15) . .
N4 C50A C49B 43.1(7) . .
C47A C50A C49B 92.9(12) . .
C47B C50A C49B 94.3(9) . .
C50A C50B N4 64.7(12) . .
C50A C50B C47B 92.4(14) . .
N4 C50B C47B 123.0(7) . .
C50A C50B C47A 56.8(14) . .
N4 C50B C47A 103.3(9) . .
C47B C50B C47A 35.7(7) . .
C32 N1 C31 116.9(5) . .
C32 N1 Zn3 122.2(4) . .
C31 N1 Zn3 120.9(4) . .
C40 N2 C39 115.8(5) . .
C42 N3 C41 117.3(4) . .
C42 N3 Zn1 122.9(3) . .
C41 N3 Zn1 119.5(3) . .
C50A N4 C50B 44.1(10) . .
C50A N4 C49B 96.2(10) . .
C50B N4 C49B 117.0(6) . .
C50A N4 C49A 117.7(10) . .
C50B N4 C49A 107.3(8) . .
C49B N4 C49A 40.5(7) . .
C50A N4 Zn2 120.0(9) . 2_454
C50B N4 Zn2 123.8(4) . 2_454
C49B N4 Zn2 118.4(5) . 2_454
C49A N4 Zn2 120.3(6) . 2_454
C1 O1 Zn1 121.5(3) . .
C1 O2 Zn1 132.4(3) . 3_565
C7 O3 Zn3 111.6(3) . .
C7 O4 Zn2 140.1(3) . .
C8 O5 C9 117.2(3) . .
C12 O6 Zn2 131.8(3) . .
C12 O9 Zn3 123.6(3) . 2_544
C16 O12 Zn1 116.2(4) . .
C16 O13 Zn1 142.8(4) 3_565 .
C23 O14 C19 119.4(4) . .
C24 O16 Zn2 113.5(4) . 4_566
C30 O17 Zn3 104.3(4) . 4_666
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O12 2.015(4) .
Zn1 O13 2.021(4) .
Zn1 N3 2.037(3) .
Zn1 O2 2.041(3) 3_565
Zn1 O1 2.046(3) .
Zn1 Zn1 2.9330(11) 3_565
Zn2 O16 1.920(4) 4_565
Zn2 O6 1.937(3) .
Zn2 O4 1.977(3) .
Zn2 N4 2.046(4) 2_444
Zn3 O17 1.953(4) 4_465
Zn3 O9 1.977(4) 2_554
Zn3 O3 2.025(3) .
Zn3 N1 2.028(4) .
Zn3 C30 2.565(7) 4_465
C1 O2 1.243(6) .
C1 O1 1.249(5) .
C1 C2 1.496(6) .
C2 C4 1.374(6) .
C2 C3 1.379(6) .
C3 C5 1.369(6) .
C4 C6 1.390(6) .
C5 C8 1.385(6) .
C6 C8 1.390(6) .
C6 C7 1.486(6) .
C7 O3 1.249(5) .
C7 O4 1.260(5) .
C8 O5 1.379(5) .
C9 C10 1.372(7) .
C9 C11 1.375(7) .
C9 O5 1.401(5) .
C10 C13 1.382(8) .
C11 C14 1.380(7) .
C11 C12 1.520(7) .
C12 O9 1.233(6) .
C12 O6 1.254(6) .
C13 C15 1.391(9) .
C14 C15 1.348(8) .
C16 O13 1.234(6) 3_565
C16 O12 1.258(5) .
C16 C17 1.495(7) .
C17 C18 1.376(7) .
C17 C19 1.390(7) .
C18 C20 1.384(8) .
C19 C21 1.376(7) .
C19 O14 1.382(6) .
C20 C22 1.373(8) .
C21 C22 1.371(8) .
C23 C25 1.372(7) .
C23 C26 1.373(7) .
C23 O14 1.375(6) .
C24 O15 1.208(6) .
C24 O16 1.229(6) .
C24 C25 1.483(7) .
C25 C27 1.382(6) .
C26 C28 1.401(8) .
C27 C29 1.386(7) .
C28 C29 1.348(8) .
C29 C30 1.493(7) .
C30 O18 1.237(8) .
C30 O17 1.249(8) .
C30 Zn3 2.565(7) 4_666
C31 N1 1.328(7) .
C31 C33 1.376(8) .
C32 N1 1.303(7) .
C32 C34 1.386(8) .
C33 C35 1.375(7) .
C34 C35 1.363(8) .
C35 C36 1.467(7) .
C36 C38 1.382(7) .
C36 C37 1.384(8) .
C37 C39 1.361(8) .
C38 C40 1.380(7) .
C39 N2 1.329(8) .
C40 N2 1.315(8) .
C41 N3 1.330(6) .
C41 C43 1.376(6) .
C42 N3 1.321(6) .
C42 C44 1.381(6) .
C43 C45 1.363(6) .
C44 C45 1.361(6) .
C45 C46 1.487(6) .
C46 C47A 1.366(18) .
C46 C48A 1.373(14) .
C46 C48B 1.376(12) .
C46 C47B 1.386(8) .
C47A C47B 0.961(19) .
C47A C50A 1.38(2) .
C47A C50B 1.645(19) .
C47B C50B 1.370(10) .
C47B C50A 1.72(2) .
C48A C48B 0.906(15) .
C48A C49A 1.377(17) .
C48A C49B 1.615(17) .
C48B C49B 1.347(15) .
C48B C49A 1.673(18) .
C49A C49B 0.936(16) .
C49A N4 1.355(15) .
C49B N4 1.347(11) .
C49B C50A 1.96(2) .
C50A C50B 0.99(2) .
C50A N4 1.286(18) .
C50B N4 1.346(9) .
N4 Zn2 2.046(4) 2_454
O2 Zn1 2.041(3) 3_565
O9 Zn3 1.977(4) 2_544
O13 C16 1.234(6) 3_565
O16 Zn2 1.919(4) 4_566
O17 Zn3 1.953(4) 4_666
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
O2 C1 C2 C4 -157.2(5) . .
O1 C1 C2 C4 22.6(7) . .
O2 C1 C2 C3 18.1(7) . .
O1 C1 C2 C3 -162.1(5) . .
C4 C2 C3 C5 -0.2(8) . .
C1 C2 C3 C5 -175.7(5) . .
C3 C2 C4 C6 0.9(7) . .
C1 C2 C4 C6 176.3(5) . .
C2 C3 C5 C8 -0.3(8) . .
C2 C4 C6 C8 -1.0(7) . .
C2 C4 C6 C7 -179.0(4) . .
C8 C6 C7 O3 -139.4(5) . .
C4 C6 C7 O3 38.4(7) . .
C8 C6 C7 O4 39.9(7) . .
C4 C6 C7 O4 -142.2(5) . .
C3 C5 C8 O5 175.0(4) . .
C3 C5 C8 C6 0.3(7) . .
C4 C6 C8 O5 -174.6(4) . .
C7 C6 C8 O5 3.4(7) . .
C4 C6 C8 C5 0.4(7) . .
C7 C6 C8 C5 178.3(4) . .
C11 C9 C10 C13 0.3(8) . .
O5 C9 C10 C13 -178.0(5) . .
C10 C9 C11 C14 0.8(7) . .
O5 C9 C11 C14 179.1(4) . .
C10 C9 C11 C12 179.6(5) . .
O5 C9 C11 C12 -2.1(7) . .
C9 C11 C12 O9 -142.7(5) . .
C14 C11 C12 O9 36.1(7) . .
C9 C11 C12 O6 36.6(7) . .
C14 C11 C12 O6 -144.5(5) . .
C9 C10 C13 C15 -0.5(8) . .
C9 C11 C14 C15 -1.9(8) . .
C12 C11 C14 C15 179.2(5) . .
C11 C14 C15 C13 1.8(9) . .
C10 C13 C15 C14 -0.6(9) . .
O13 C16 C17 C18 173.3(5) 3_565 .
O12 C16 C17 C18 -5.3(7) . .
O13 C16 C17 C19 -7.2(7) 3_565 .
O12 C16 C17 C19 174.3(5) . .
C19 C17 C18 C20 1.0(8) . .
C16 C17 C18 C20 -179.4(5) . .
C18 C17 C19 C21 -1.6(7) . .
C16 C17 C19 C21 178.8(5) . .
C18 C17 C19 O14 177.4(5) . .
C16 C17 C19 O14 -2.2(7) . .
C17 C18 C20 C22 1.1(10) . .
O14 C19 C21 C22 -178.8(5) . .
C17 C19 C21 C22 0.2(8) . .
C19 C21 C22 C20 2.0(10) . .
C18 C20 C22 C21 -2.6(10) . .
C26 C23 C25 C27 -0.2(9) . .
O14 C23 C25 C27 -177.9(5) . .
C26 C23 C25 C24 -177.2(6) . .
O14 C23 C25 C24 5.1(8) . .
O15 C24 C25 C23 -67.9(8) . .
O16 C24 C25 C23 108.3(6) . .
O15 C24 C25 C27 115.1(7) . .
O16 C24 C25 C27 -68.7(7) . .
C25 C23 C26 C28 0.4(10) . .
O14 C23 C26 C28 178.1(6) . .
C23 C25 C27 C29 -0.2(8) . .
C24 C25 C27 C29 176.9(5) . .
C23 C26 C28 C29 -0.2(11) . .
C26 C28 C29 C27 -0.2(10) . .
C26 C28 C29 C30 177.0(7) . .
C25 C27 C29 C28 0.4(8) . .
C25 C27 C29 C30 -176.9(5) . .
C28 C29 C30 O18 -15.1(9) . .
C27 C29 C30 O18 162.1(6) . .
C28 C29 C30 O17 167.2(6) . .
C27 C29 C30 O17 -15.5(8) . .
C28 C29 C30 Zn3 -163.0(12) . 4_666
C27 C29 C30 Zn3 14.2(18) . 4_666
N1 C31 C33 C35 -1.2(11) . .
N1 C32 C34 C35 0.2(13) . .
C32 C34 C35 C33 0.6(11) . .
C32 C34 C35 C36 -179.7(7) . .
C31 C33 C35 C34 -0.2(10) . .
C31 C33 C35 C36 -179.8(6) . .
C34 C35 C36 C38 24.1(9) . .
C33 C35 C36 C38 -156.3(6) . .
C34 C35 C36 C37 -154.3(7) . .
C33 C35 C36 C37 25.3(9) . .
C38 C36 C37 C39 0.3(9) . .
C35 C36 C37 C39 178.8(6) . .
C37 C36 C38 C40 1.0(8) . .
C35 C36 C38 C40 -177.5(5) . .
C36 C37 C39 N2 -1.6(12) . .
C36 C38 C40 N2 -1.4(9) . .
N3 C41 C43 C45 0.8(9) . .
N3 C42 C44 C45 -0.7(10) . .
C42 C44 C45 C43 0.9(8) . .
C42 C44 C45 C46 -179.4(5) . .
C41 C43 C45 C44 -0.9(8) . .
C41 C43 C45 C46 179.3(5) . .
C44 C45 C46 C47A 22.9(13) . .
C43 C45 C46 C47A -157.3(11) . .
C44 C45 C46 C48A -166.9(10) . .
C43 C45 C46 C48A 12.9(11) . .
C44 C45 C46 C48B 147.9(8) . .
C43 C45 C46 C48B -32.4(9) . .
C44 C45 C46 C47B -25.0(9) . .
C43 C45 C46 C47B 154.7(6) . .
C48A C46 C47A C47B 87.9(15) . .
C48B C46 C47A C47B 123.9(11) . .
C45 C46 C47A C47B -101.5(11) . .
C48A C46 C47A C50A 5(3) . .
C48B C46 C47A C50A 41(2) . .
C47B C46 C47A C50A -83(2) . .
C45 C46 C47A C50A 175.7(16) . .
C48A C46 C47A C50B 41.2(17) . .
C48B C46 C47A C50B 77.2(12) . .
C47B C46 C47A C50B -46.7(9) . .
C45 C46 C47A C50B -148.2(7) . .
C46 C47A C47B C50B -121.6(7) . .
C50A C47A C47B C50B -2.2(13) . .
C50A C47A C47B C46 119.5(13) . .
C50B C47A C47B C46 121.6(7) . .
C46 C47A C47B C50A -119.5(13) . .
C50B C47A C47B C50A 2.2(13) . .
C48A C46 C47B C47A -109.7(14) . .
C48B C46 C47B C47A -68.9(14) . .
C45 C46 C47B C47A 104.2(12) . .
C47A C46 C47B C50B 75.2(14) . .
C48A C46 C47B C50B -34.5(13) . .
C48B C46 C47B C50B 6.3(13) . .
C45 C46 C47B C50B 179.4(7) . .
C47A C46 C47B C50A 44.7(13) . .
C48A C46 C47B C50A -65.0(11) . .
C48B C46 C47B C50A -24.2(12) . .
C45 C46 C47B C50A 148.9(8) . .
C47A C46 C48A C48B 69.0(17) . .
C47B C46 C48A C48B 112.6(13) . .
C45 C46 C48A C48B -101.6(12) . .
C47A C46 C48A C49A -11(2) . .
C48B C46 C48A C49A -80.5(19) . .
C47B C46 C48A C49A 32.1(19) . .
C45 C46 C48A C49A 177.9(13) . .
C47A C46 C48A C49B 22.2(16) . .
C48B C46 C48A C49B -46.8(11) . .
C47B C46 C48A C49B 65.8(11) . .
C45 C46 C48A C49B -148.4(6) . .
C46 C48A C48B C49B -121.9(8) . .
C49A C48A C48B C49B 0.1(13) . .
C49A C48A C48B C46 122.0(10) . .
C49B C48A C48B C46 121.9(8) . .
C46 C48A C48B C49A -122.0(10) . .
C49B C48A C48B C49A -0.1(13) . .
C47A C46 C48B C48A -122.4(14) . .
C47B C46 C48B C48A -84.3(14) . .
C45 C46 C48B C48A 102.7(12) . .
C47A C46 C48B C49B -44.8(15) . .
C48A C46 C48B C49B 77.6(14) . .
C47B C46 C48B C49B -6.7(16) . .
C45 C46 C48B C49B -179.7(10) . .
C47A C46 C48B C49A -76.7(12) . .
C48A C46 C48B C49A 45.7(11) . .
C47B C46 C48B C49A -38.6(12) . .
C45 C46 C48B C49A 148.4(8) . .
C48B C48A C49A C49B -0.1(18) . .
C46 C48A C49A C49B 69(2) . .
C48B C48A C49A N4 -64(2) . .
C46 C48A C49A N4 5(3) . .
C49B C48A C49A N4 -63.4(15) . .
C46 C48A C49A C48B 68.8(16) . .
C49B C48A C49A C48B 0.1(18) . .
C48A C48B C49A C49B 180(2) . .
C46 C48B C49A C49B 124.7(15) . .
C48A C48B C49A N4 127.6(18) . .
C49B C48B C49A N4 -52.2(12) . .
C46 C48B C49A N4 72.5(12) . .
C49B C48B C49A C48A -180(2) . .
C46 C48B C49A C48A -55.2(13) . .
C48A C49A C49B N4 -124.3(9) . .
C48B C49A C49B N4 -124.4(8) . .
N4 C49A C49B C48B 124.4(8) . .
C48A C49A C49B C48B 0.1(12) . .
N4 C49A C49B C48A 124.3(9) . .
C48B C49A C49B C48A -0.1(12) . .
N4 C49A C49B C50A 31.9(7) . .
C48A C49A C49B C50A -92.4(10) . .
C48B C49A C49B C50A -92.5(10) . .
C48A C48B C49B C49A -0.1(19) . .
C46 C48B C49B C49A -67.3(18) . .
C48A C48B C49B N4 67.8(19) . .
C46 C48B C49B N4 1(2) . .
C49A C48B C49B N4 67.9(14) . .
C46 C48B C49B C48A -67.1(13) . .
C49A C48B C49B C48A 0.1(19) . .
C48A C48B C49B C50A 96.1(16) . .
C46 C48B C49B C50A 29.0(14) . .
C49A C48B C49B C50A 96.3(15) . .
C48B C48A C49B C49A 180(2) . .
C46 C48A C49B C49A -124.5(17) . .
C48B C48A C49B N4 -126.2(16) . .
C46 C48A C49B N4 -70.6(12) . .
C49A C48A C49B N4 53.9(13) . .
C46 C48A C49B C48B 55.7(12) . .
C49A C48A C49B C48B -180(2) . .
C48B C48A C49B C50A -86.2(16) . .
C46 C48A C49B C50A -30.5(12) . .
C49A C48A C49B C50A 94.0(15) . .
C47B C47A C50A C50B 3.0(18) . .
C46 C47A C50A C50B 73(2) . .
C47B C47A C50A N4 -61(3) . .
C46 C47A C50A N4 8(3) . .
C50B C47A C50A N4 -64(2) . .
C46 C47A C50A C47B 69.6(18) . .
C50B C47A C50A C47B -3.0(18) . .
C47B C47A C50A C49B -93.4(16) . .
C46 C47A C50A C49B -24(2) . .
C50B C47A C50A C49B -96.4(15) . .
C47A C47B C50A C50B -176(2) . .
C46 C47B C50A C50B 128.8(13) . .
C47A C47B C50A N4 131(2) . .
C50B C47B C50A N4 -52.4(12) . .
C46 C47B C50A N4 76.4(13) . .
C50B C47B C50A C47A 176(2) . .
C46 C47B C50A C47A -55.0(15) . .
C47A C47B C50A C49B 88.8(17) . .
C50B C47B C50A C49B -95.0(14) . .
C46 C47B C50A C49B 33.8(10) . .
C49A C49B C50A C50B 3.5(19) . .
N4 C49B C50A C50B 53.1(12) . .
C48B C49B C50A C50B -89.3(15) . .
C48A C49B C50A C50B -55.2(16) . .
C49A C49B C50A N4 -49.7(14) . .
C48B C49B C50A N4 -142.4(13) . .
C48A C49B C50A N4 -108.3(12) . .
C49A C49B C50A C47A 90.0(19) . .
N4 C49B C50A C47A 140(2) . .
C48B C49B C50A C47A -2.7(16) . .
C48A C49B C50A C47A 31.4(17) . .
C49A C49B C50A C47B 56.2(15) . .
N4 C49B C50A C47B 105.8(15) . .
C48B C49B C50A C47B -36.5(12) . .
C48A C49B C50A C47B -2.4(12) . .
C47A C50A C50B N4 -127.7(12) . .
C47B C50A C50B N4 -125.6(7) . .
C49B C50A C50B N4 -35.3(5) . .
N4 C50A C50B C47B 125.6(7) . .
C47A C50A C50B C47B -2.1(12) . .
C49B C50A C50B C47B 90.4(9) . .
N4 C50A C50B C47A 127.7(12) . .
C47B C50A C50B C47A 2.1(12) . .
C49B C50A C50B C47A 92.5(12) . .
C47A C47B C50B C50A 3.0(18) . .
C46 C47B C50B C50A -61.1(15) . .
C47A C47B C50B N4 64.2(16) . .
C46 C47B C50B N4 0.1(15) . .
C50A C47B C50B N4 61.2(12) . .
C46 C47B C50B C47A -64.2(12) . .
C50A C47B C50B C47A -3.0(18) . .
C47B C47A C50B C50A -176(2) . .
C46 C47A C50B C50A -120.8(19) . .
C47B C47A C50B N4 -129.1(13) . .
C46 C47A C50B N4 -73.5(13) . .
C50A C47A C50B N4 47.3(14) . .
C46 C47A C50B C47B 55.6(12) . .
C50A C47A C50B C47B 176(2) . .
C34 C32 N1 C31 -1.5(11) . .
C34 C32 N1 Zn3 -179.3(6) . .
C33 C31 N1 C32 2.0(10) . .
C33 C31 N1 Zn3 179.9(5) . .
O17 Zn3 N1 C32 101.8(6) 4_465 .
O9 Zn3 N1 C32 -19.7(6) 2_554 .
O3 Zn3 N1 C32 -129.1(5) . .
C30 Zn3 N1 C32 80.7(6) 4_465 .
O17 Zn3 N1 C31 -75.9(5) 4_465 .
O9 Zn3 N1 C31 162.6(4) 2_554 .
O3 Zn3 N1 C31 53.2(5) . .
C30 Zn3 N1 C31 -97.0(5) 4_465 .
C38 C40 N2 C39 0.2(9) . .
C37 C39 N2 C40 1.2(10) . .
C44 C42 N3 C41 0.5(8) . .
C44 C42 N3 Zn1 173.9(5) . .
C43 C41 N3 C42 -0.5(8) . .
C43 C41 N3 Zn1 -174.2(4) . .
O12 Zn1 N3 C42 87.0(5) . .
O13 Zn1 N3 C42 -91.7(5) . .
O2 Zn1 N3 C42 -4.7(5) 3_565 .
O1 Zn1 N3 C42 179.8(4) . .
Zn1 Zn1 N3 C42 -77.8(6) 3_565 .
O12 Zn1 N3 C41 -99.7(4) . .
O13 Zn1 N3 C41 81.6(4) . .
O2 Zn1 N3 C41 168.6(4) 3_565 .
O1 Zn1 N3 C41 -6.9(4) . .
Zn1 Zn1 N3 C41 95.5(5) 3_565 .
C47A C50A N4 C50B 72(2) . .
C47B C50A N4 C50B 41.7(10) . .
C49B C50A N4 C50B 122.9(12) . .
C50B C50A N4 C49B -122.9(12) . .
C47A C50A N4 C49B -51(2) . .
C47B C50A N4 C49B -81.2(12) . .
C50B C50A N4 C49A -86.7(15) . .
C47A C50A N4 C49A -15(3) . .
C47B C50A N4 C49A -45.0(18) . .
C49B C50A N4 C49A 36.2(10) . .
C50B C50A N4 Zn2 109.2(12) . 2_454
C47A C50A N4 Zn2 -179.0(17) . 2_454
C47B C50A N4 Zn2 150.8(6) . 2_454
C49B C50A N4 Zn2 -128.0(10) . 2_454
C47B C50B N4 C50A -75.5(15) . .
C47A C50B N4 C50A -42.8(14) . .
C50A C50B N4 C49B 69.5(15) . .
C47B C50B N4 C49B -6.0(14) . .
C47A C50B N4 C49B 26.7(12) . .
C50A C50B N4 C49A 112.2(15) . .
C47B C50B N4 C49A 36.7(14) . .
C47A C50B N4 C49A 69.4(12) . .
C50A C50B N4 Zn2 -100.0(13) . 2_454
C47B C50B N4 Zn2 -175.5(7) . 2_454
C47A C50B N4 Zn2 -142.8(8) . 2_454
C49A C49B N4 C50A 126.4(16) . .
C48B C49B N4 C50A 46.7(17) . .
C48A C49B N4 C50A 79.4(14) . .
C49A C49B N4 C50B 85.3(14) . .
C48B C49B N4 C50B 5.7(17) . .
C48A C49B N4 C50B 38.4(12) . .
C50A C49B N4 C50B -41.0(10) . .
C48B C49B N4 C49A -79.7(15) . .
C48A C49B N4 C49A -47.0(11) . .
C50A C49B N4 C49A -126.4(16) . .
C49A C49B N4 Zn2 -104.6(11) . 2_454
C48B C49B N4 Zn2 175.8(10) . 2_454
C48A C49B N4 Zn2 -151.5(7) . 2_454
C50A C49B N4 Zn2 129.1(12) . 2_454
C49B C49A N4 C50A -64.7(18) . .
C48A C49A N4 C50A 8(2) . .
C48B C49A N4 C50A -21.9(18) . .
C49B C49A N4 C50B -111.5(12) . .
C48A C49A N4 C50B -38.9(19) . .
C48B C49A N4 C50B -68.6(11) . .
C48A C49A N4 C49B 72.6(16) . .
C48B C49A N4 C49B 42.8(9) . .
C49B C49A N4 Zn2 99.4(11) . 2_454
C48A C49A N4 Zn2 172.0(13) . 2_454
C48B C49A N4 Zn2 142.2(6) . 2_454
O2 C1 O1 Zn1 4.2(8) . .
C2 C1 O1 Zn1 -175.6(3) . .
O12 Zn1 O1 C1 -92.7(4) . .
O13 Zn1 O1 C1 65.7(4) . .
N3 Zn1 O1 C1 157.7(4) . .
O2 Zn1 O1 C1 -9.4(7) 3_565 .
Zn1 Zn1 O1 C1 -3.7(4) 3_565 .
O1 C1 O2 Zn1 -1.1(9) . 3_565
C2 C1 O2 Zn1 178.6(3) . 3_565
O4 C7 O3 Zn3 -8.7(6) . .
C6 C7 O3 Zn3 170.7(3) . .
O17 Zn3 O3 C7 72.1(4) 4_465 .
O9 Zn3 O3 C7 173.0(3) 2_554 .
N1 Zn3 O3 C7 -74.4(4) . .
C30 Zn3 O3 C7 67.8(4) 4_465 .
O3 C7 O4 Zn2 174.9(3) . .
C6 C7 O4 Zn2 -4.5(7) . .
O16 Zn2 O4 C7 -107.3(5) 4_565 .
O6 Zn2 O4 C7 29.7(5) . .
N4 Zn2 O4 C7 137.0(5) 2_444 .
C5 C8 O5 C9 17.4(6) . .
C6 C8 O5 C9 -167.7(4) . .
C10 C9 O5 C8 -111.8(5) . .
C11 C9 O5 C8 69.8(5) . .
O9 C12 O6 Zn2 -163.7(4) . .
C11 C12 O6 Zn2 17.0(7) . .
O16 Zn2 O6 C12 7.8(5) 4_565 .
O4 Zn2 O6 C12 -114.4(4) . .
N4 Zn2 O6 C12 144.4(4) 2_444 .
O6 C12 O9 Zn3 16.6(7) . 2_544
C11 C12 O9 Zn3 -164.1(3) . 2_544
O13 C16 O12 Zn1 6.4(7) 3_565 .
C17 C16 O12 Zn1 -175.1(3) . .
O13 Zn1 O12 C16 -1.4(7) . .
N3 Zn1 O12 C16 -177.8(3) . .
O2 Zn1 O12 C16 -78.6(4) 3_565 .
O1 Zn1 O12 C16 81.3(4) . .
Zn1 Zn1 O12 C16 -2.6(3) 3_565 .
O12 Zn1 O13 C16 -7.0(10) . 3_565
N3 Zn1 O13 C16 169.6(7) . 3_565
O2 Zn1 O13 C16 70.6(7) 3_565 3_565
O1 Zn1 O13 C16 -89.8(7) . 3_565
Zn1 Zn1 O13 C16 -5.7(6) 3_565 3_565
C25 C23 O14 C19 -88.2(6) . .
C26 C23 O14 C19 94.0(7) . .
C21 C19 O14 C23 0.5(7) . .
C17 C19 O14 C23 -178.5(5) . .
O15 C24 O16 Zn2 -2.6(8) . 4_566
C25 C24 O16 Zn2 -178.8(4) . 4_566
O18 C30 O17 Zn3 -10.1(8) . 4_666
C29 C30 O17 Zn3 167.5(4) . 4_666
