#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:37:38 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180513 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/82/7218244.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_7218244
loop_
_publ_author_name
'Zhang, Hang'
'Jiang, Wei'
'Yang, Jin'
'Liu, Ying-Ying'
'Song, Shuyan'
'Ma, Jian-Fang'
_publ_section_title
;
 Four coordination polymers constructed by a novel octacarboxylate
 functionalized calix[4]arene ligand: syntheses, structures, and
 photoluminescence property
;
_journal_issue                   42
_journal_name_full               CrystEngComm
_journal_page_first              9939
_journal_paper_doi               10.1039/C4CE01581A
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C52 H68 N2 O30 Zn3'
_chemical_formula_sum            'C52 H68 N2 O30 Zn3'
_chemical_formula_weight         1397.19
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                106.672(4)
_cell_angle_beta                 109.300(4)
_cell_angle_gamma                99.890(4)
_cell_formula_units_Z            2
_cell_length_a                   12.1230(6)
_cell_length_b                   16.8510(8)
_cell_length_c                   17.7160(8)
_cell_measurement_reflns_used    5727
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.1861
_cell_measurement_theta_min      3.2405
_cell_volume                     3126.7(3)
_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 10.0
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_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  0.0333
_diffrn_reflns_av_sigmaI/netI    0.0634
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            18838
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         3.25
_exptl_absorpt_coefficient_mu    1.230
_exptl_absorpt_correction_T_max  0.7910
_exptl_absorpt_correction_T_min  0.7822
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.480
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1440
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.224
_refine_diff_density_min         -0.939
_refine_diff_density_rms         0.124
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     784
_refine_ls_number_reflns         11017
_refine_ls_number_restraints     51
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.1110
_refine_ls_R_factor_gt           0.0775
_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)+(0.1573P)²+3.7285P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2248
_refine_ls_wR_factor_ref         0.2573
_reflns_number_gt                7588
_reflns_number_total             11017
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c4ce01581a2.cif
_cod_data_source_block           Compound-1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 2827 2014-09-09 07:05:25Z andrius 

 Adding full bibliography for 7218244--7218247.cif.
;
_cod_database_code               7218244
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.42577(6) 0.30279(4) 0.20654(5) 0.0385(2) Uani 1 1 d .
Zn2 Zn -0.67189(7) -0.25833(5) -0.05890(5) 0.0441(3) Uani 1 1 d .
Zn3 Zn -0.29059(7) 0.33708(5) 0.36415(5) 0.0480(3) Uani 1 1 d .
C1 C 0.0016(6) -0.0896(4) 0.2178(4) 0.0375(14) Uani 1 1 d .
H1 H 0.0783 -0.0806 0.2594 0.045 Uiso 1 1 calc R
C2 C -0.0253(6) -0.0191(4) 0.1982(4) 0.0416(15) Uani 1 1 d .
C3 C -0.1388(7) -0.0346(4) 0.1362(4) 0.0447(16) Uani 1 1 d .
C4 C -0.2234(7) -0.1171(4) 0.0956(4) 0.0469(16) Uani 1 1 d .
H4 H -0.3001 -0.1267 0.0537 0.056 Uiso 1 1 calc R
C5 C -0.1921(6) -0.1833(4) 0.1183(4) 0.0371(14) Uani 1 1 d .
C6 C -0.0787(5) -0.1719(3) 0.1789(4) 0.0336(13) Uani 1 1 d .
C7 C -0.2826(11) 0.0363(8) 0.0888(10) 0.117(4) Uani 1 1 d U
H7A H -0.3133 0.0302 0.1316 0.140 Uiso 1 1 calc R
H7B H -0.3347 -0.0101 0.0341 0.140 Uiso 1 1 calc R
C8 C -0.2815(16) 0.1268(10) 0.0808(9) 0.106(4) Uani 1 1 d U
C9 C -0.3946(6) -0.2770(5) 0.0391(4) 0.0496(17) Uani 1 1 d .
H9A H -0.4153 -0.2283 0.0701 0.060 Uiso 1 1 calc R
H9B H -0.4417 -0.3291 0.0402 0.060 Uiso 1 1 calc R
C10 C -0.4321(7) -0.2838(4) -0.0527(4) 0.0440(16) Uani 1 1 d .
C11 C -0.0476(5) -0.2491(4) 0.1989(4) 0.0372(14) Uani 1 1 d .
H11 H -0.0682 -0.2951 0.1436 0.045 Uiso 1 1 calc R
C12 C 0.0871(6) -0.2313(5) 0.2514(5) 0.0531(18) Uani 1 1 d .
H12A H 0.1012 -0.2824 0.2614 0.080 Uiso 1 1 calc R
H12B H 0.1121 -0.1847 0.3055 0.080 Uiso 1 1 calc R
H12C H 0.1335 -0.2154 0.2206 0.080 Uiso 1 1 calc R
C13 C -0.1810(5) -0.2367(3) 0.2842(4) 0.0313(13) Uani 1 1 d .
H13 H -0.1721 -0.1798 0.2869 0.038 Uiso 1 1 calc R
C14 C -0.1248(5) -0.2851(3) 0.2415(4) 0.0329(13) Uani 1 1 d .
C15 C -0.1409(5) -0.3694(4) 0.2365(4) 0.0357(14) Uani 1 1 d .
C16 C -0.2100(6) -0.4045(4) 0.2739(4) 0.0400(15) Uani 1 1 d .
H16 H -0.2212 -0.4621 0.2691 0.048 Uiso 1 1 calc R
C17 C -0.2618(5) -0.3531(3) 0.3181(4) 0.0355(13) Uani 1 1 d .
C18 C -0.2501(5) -0.2682(3) 0.3232(4) 0.0299(12) Uani 1 1 d .
C19 C -0.0795(7) -0.4973(4) 0.1954(5) 0.0502(18) Uani 1 1 d .
H19A H -0.0643 -0.4935 0.2538 0.060 Uiso 1 1 calc R
H19B H -0.0102 -0.5095 0.1837 0.060 Uiso 1 1 calc R
C20 C -0.1929(6) -0.5721(4) 0.1342(4) 0.0426(15) Uani 1 1 d .
C21 C -0.3285(6) -0.4617(4) 0.3701(4) 0.0410(15) Uani 1 1 d .
H21A H -0.3414 -0.4583 0.4220 0.049 Uiso 1 1 calc R
H21B H -0.2484 -0.4694 0.3788 0.049 Uiso 1 1 calc R
C22 C -0.4229(6) -0.5391(4) 0.2969(4) 0.0377(14) Uani 1 1 d .
C23 C -0.3116(6) -0.2135(4) 0.3706(4) 0.0348(13) Uani 1 1 d .
H23 H -0.3937 -0.2512 0.3537 0.042 Uiso 1 1 calc R
C24 C -0.2457(7) -0.1887(4) 0.4684(4) 0.0495(17) Uani 1 1 d .
H24A H -0.2859 -0.1548 0.4974 0.074 Uiso 1 1 calc R
H24B H -0.1622 -0.1555 0.4875 0.074 Uiso 1 1 calc R
H24C H -0.2478 -0.2404 0.4813 0.074 Uiso 1 1 calc R
C25 C -0.2498(5) -0.0534(3) 0.3935(4) 0.0323(13) Uani 1 1 d .
H25 H -0.1830 -0.0453 0.4429 0.039 Uiso 1 1 calc R
C26 C -0.3296(5) -0.1370(3) 0.3452(4) 0.0307(12) Uani 1 1 d .
C27 C -0.4274(5) -0.1465(3) 0.2728(4) 0.0324(13) Uani 1 1 d .
C28 C -0.4426(5) -0.0781(4) 0.2472(4) 0.0380(14) Uani 1 1 d .
H28 H -0.5073 -0.0867 0.1964 0.046 Uiso 1 1 calc R
C29 C -0.3615(6) 0.0030(4) 0.2970(4) 0.0399(15) Uani 1 1 d .
C30 C -0.2643(5) 0.0174(3) 0.3725(4) 0.0330(13) Uani 1 1 d .
C31 C -0.6341(6) -0.2338(5) 0.1923(5) 0.0509(18) Uani 1 1 d .
H31A H -0.6455 -0.1808 0.2242 0.061 Uiso 1 1 calc R
H31B H -0.6797 -0.2812 0.2008 0.061 Uiso 1 1 calc R
C32 C -0.6869(7) -0.2478(5) 0.0977(5) 0.057(2) Uani 1 1 d .
C33 C -0.4787(6) 0.0766(4) 0.2194(5) 0.0460(17) Uani 1 1 d .
H33A H -0.5458 0.0528 0.2323 0.055 Uiso 1 1 calc R
H33B H -0.4944 0.0433 0.1603 0.055 Uiso 1 1 calc R
C34 C -0.4652(6) 0.1713(4) 0.2324(4) 0.0458(16) Uani 1 1 d .
C35 C -0.1837(6) 0.1090(4) 0.4275(4) 0.0375(14) Uani 1 1 d .
H35 H -0.2387 0.1442 0.4347 0.045 Uiso 1 1 calc R
C36 C -0.1015(8) 0.1186(4) 0.5173(4) 0.059(2) Uani 1 1 d .
H36A H -0.1497 0.0936 0.5428 0.089 Uiso 1 1 calc R
H36B H -0.0617 0.1789 0.5519 0.089 Uiso 1 1 calc R
H36C H -0.0409 0.0893 0.5140 0.089 Uiso 1 1 calc R
C37 C -0.0622(5) 0.0971(4) 0.3367(4) 0.0373(14) Uani 1 1 d .
H37 H -0.0801 0.0383 0.3275 0.045 Uiso 1 1 calc R
C38 C -0.1096(5) 0.1479(3) 0.3865(4) 0.0335(13) Uani 1 1 d .
C39 C -0.0831(5) 0.2342(4) 0.3975(4) 0.0367(14) Uani 1 1 d .
C40 C -0.0086(6) 0.2696(4) 0.3645(5) 0.0478(17) Uani 1 1 d .
H40 H 0.0105 0.3287 0.3751 0.057 Uiso 1 1 calc R
C41 C 0.0379(6) 0.2176(4) 0.3158(5) 0.0471(17) Uani 1 1 d .
C42 C 0.0106(6) 0.1290(4) 0.2997(4) 0.0396(15) Uani 1 1 d .
C43 C -0.0517(7) 0.3591(4) 0.5181(5) 0.0527(18) Uani 1 1 d .
H43A H 0.0267 0.3741 0.5143 0.063 Uiso 1 1 calc R
H43B H -0.0397 0.3417 0.5672 0.063 Uiso 1 1 calc R
C44 C -0.0982(6) 0.4371(4) 0.5311(4) 0.0407(15) Uani 1 1 d .
C45 C 0.1728(14) 0.3355(6) 0.3174(12) 0.164(7) Uani 1 1 d U
H45A H 0.2064 0.3549 0.3797 0.197 Uiso 1 1 calc R
H45B H 0.1178 0.3685 0.2997 0.197 Uiso 1 1 calc R
C46 C 0.2703(17) 0.3481(9) 0.2879(15) 0.205(9) Uani 1 1 d U
C47 C 0.0585(6) 0.0711(4) 0.2439(5) 0.0456(16) Uani 1 1 d .
H47 H 0.0615 0.0945 0.1997 0.055 Uiso 1 1 calc R
C48 C 0.1908(7) 0.0777(4) 0.2982(6) 0.068(2) Uani 1 1 d .
H48A H 0.2393 0.1374 0.3251 0.103 Uiso 1 1 calc R
H48B H 0.2241 0.0456 0.2616 0.103 Uiso 1 1 calc R
H48C H 0.1915 0.0541 0.3416 0.103 Uiso 1 1 calc R
C49 C 0.006(4) 0.1399(18) 0.0337(19) 0.35(3) Uani 1 1 d .
H49A H 0.0017 0.0925 0.0535 0.532 Uiso 1 1 calc R
H49B H 0.0671 0.1423 0.0103 0.532 Uiso 1 1 calc R
H49C H -0.0718 0.1317 -0.0099 0.532 Uiso 1 1 calc R
C50 C 0.0489(15) 0.2768(19) 0.0698(17) 0.274(18) Uani 1 1 d .
H50A H 0.0726 0.3289 0.1190 0.411 Uiso 1 1 calc R
H50B H -0.0265 0.2728 0.0261 0.411 Uiso 1 1 calc R
H50C H 0.1115 0.2779 0.0479 0.411 Uiso 1 1 calc R
C51 C -0.5401(14) -0.4185(9) 0.1374(13) 0.176(9) Uani 1 1 d D
H51A H -0.4567 -0.3888 0.1515 0.264 Uiso 1 1 calc R
H51B H -0.5431 -0.4429 0.1797 0.264 Uiso 1 1 calc R
H51C H -0.5873 -0.3782 0.1368 0.264 Uiso 1 1 calc R
C52 C -0.7037(18) -0.5391(8) 0.0548(12) 0.297(17) Uani 1 1 d DU
H52A H -0.7451 -0.5910 0.0042 0.445 Uiso 1 1 calc R
H52B H -0.7576 -0.5038 0.0581 0.445 Uiso 1 1 calc R
H52C H -0.6799 -0.5542 0.1050 0.445 Uiso 1 1 calc R
N1 N 0.0333(18) 0.2070(15) 0.0933(12) 0.211(9) Uani 1 1 d .
N2 N -0.592(3) -0.489(2) 0.0504(15) 0.80(6) Uani 1 1 d DU
O1 O -0.1643(5) 0.0332(3) 0.1130(3) 0.0611(14) Uani 1 1 d U
O2 O -0.2078(11) 0.1712(5) 0.0805(6) 0.136(4) Uani 1 1 d .
O3 O -0.3859(12) 0.1345(8) 0.0619(10) 0.193(6) Uani 1 1 d .
O4 O -0.2708(4) -0.2664(3) 0.0824(3) 0.0463(11) Uani 1 1 d .
O5 O -0.5379(5) -0.2858(3) -0.0939(3) 0.0540(12) Uani 1 1 d .
O6 O -0.3557(4) -0.2908(3) -0.0856(3) 0.0487(11) Uani 1 1 d .
O7 O -0.0863(5) -0.4166(3) 0.1902(3) 0.0507(12) Uani 1 1 d .
O8 O -0.2746(6) -0.5630(3) 0.0786(4) 0.0727(17) Uani 1 1 d .
O9 O -0.1912(4) -0.6419(3) 0.1459(3) 0.0478(11) Uani 1 1 d .
O10 O -0.3299(4) -0.3829(3) 0.3578(3) 0.0445(11) Uani 1 1 d .
O11 O -0.4951(5) -0.5319(3) 0.2349(4) 0.0669(15) Uani 1 1 d .
O12 O -0.4252(4) -0.6111(3) 0.3034(3) 0.0515(12) Uani 1 1 d .
O13 O -0.5090(4) -0.2280(2) 0.2266(3) 0.0452(11) Uani 1 1 d .
O14 O -0.7966(7) -0.2766(10) 0.0608(6) 0.178(6) Uani 1 1 d .
O15 O -0.6184(5) -0.2371(3) 0.0625(3) 0.0583(13) Uani 1 1 d .
O16 O -0.3689(4) 0.0743(3) 0.2754(4) 0.0621(15) Uani 1 1 d .
O17 O -0.5630(4) 0.1865(3) 0.1999(3) 0.0533(13) Uani 1 1 d .
O18 O -0.3618(4) 0.2238(3) 0.2691(3) 0.0580(14) Uani 1 1 d .
O19 O -0.1364(4) 0.2879(2) 0.4410(3) 0.0398(10) Uani 1 1 d .
O20 O -0.0367(5) 0.4995(3) 0.5982(3) 0.0622(14) Uani 1 1 d .
O21 O -0.1926(5) 0.4356(3) 0.4745(3) 0.0580(14) Uani 1 1 d .
O22 O 0.1114(5) 0.2489(3) 0.2815(4) 0.0636(15) Uani 1 1 d .
O23 O 0.368(2) 0.4055(19) 0.3483(17) 0.49(2) Uani 1 1 d U
O24 O 0.2856(5) 0.3022(3) 0.2363(4) 0.0567(13) Uani 1 1 d U
O1W O -0.1836(5) 0.3888(3) 0.3104(3) 0.0565(13) Uani 1 1 d .
O2W O -0.4010(7) 0.2912(5) 0.4210(5) 0.102(2) Uani 1 1 d .
O3W O -0.819(5) 0.070(3) 0.082(4) 0.76(5) Uani 1 1 d .
O4W O -0.927(2) -0.4269(14) 0.0686(17) 0.327(12) Uani 1 1 d .
O5W O -0.526(3) -0.108(5) 0.542(3) 0.69(5) Uani 1 1 d .
06W O -0.473(4) -0.002(4) 0.538(3) 0.53(3) 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
O24 Zn1 O17 99.7(2) . 1_655
O24 Zn1 O6 101.8(2) . 2
O17 Zn1 O6 103.5(2) 1_655 2
O24 Zn1 O12 110.0(2) . 1_665
O17 Zn1 O12 108.27(18) 1_655 1_665
O6 Zn1 O12 129.6(2) 2 1_665
O15 Zn2 O9 121.9(2) . 2_445
O15 Zn2 O5 107.6(2) . .
O9 Zn2 O5 99.5(2) 2_445 .
O15 Zn2 O3 103.6(4) . 2_455
O9 Zn2 O3 128.6(4) 2_445 2_455
O5 Zn2 O3 87.1(3) . 2_455
O15 Zn2 O2 104.1(3) . 2_455
O9 Zn2 O2 89.3(3) 2_445 2_455
O5 Zn2 O2 135.4(3) . 2_455
O3 Zn2 O2 55.1(4) 2_455 2_455
O15 Zn2 C8 107.8(3) . 2_455
O9 Zn2 C8 107.2(4) 2_445 2_455
O5 Zn2 C8 112.9(3) . 2_455
O3 Zn2 C8 29.9(5) 2_455 2_455
O2 Zn2 C8 25.4(4) 2_455 2_455
O18 Zn3 O21 165.5(2) . .
O18 Zn3 O1W 93.9(2) . .
O21 Zn3 O1W 88.9(2) . .
O18 Zn3 O2W 88.6(3) . .
O21 Zn3 O2W 89.2(3) . .
O1W Zn3 O2W 176.8(3) . .
O18 Zn3 O12 93.25(19) . 1_565
O21 Zn3 O12 101.10(18) . 1_565
O1W Zn3 O12 87.7(2) . 1_565
O2W Zn3 O12 90.2(2) . 1_565
O18 Zn3 O19 90.76(17) . .
O21 Zn3 O19 74.85(16) . .
O1W Zn3 O19 92.97(18) . .
O2W Zn3 O19 89.0(2) . .
O12 Zn3 O19 175.87(17) 1_565 .
C6 C1 C2 123.6(6) . .
C6 C1 H1 118.2 . .
C2 C1 H1 118.2 . .
C3 C2 C1 116.8(6) . .
C3 C2 C47 119.4(6) . .
C1 C2 C47 123.7(6) . .
O1 C3 C2 117.4(6) . .
O1 C3 C4 121.1(6) . .
C2 C3 C4 121.4(6) . .
C5 C4 C3 119.1(6) . .
C5 C4 H4 120.5 . .
C3 C4 H4 120.5 . .
C4 C5 C6 122.1(6) . .
C4 C5 O4 122.8(6) . .
C6 C5 O4 115.1(5) . .
C1 C6 C5 117.1(5) . .
C1 C6 C11 123.4(6) . .
C5 C6 C11 119.6(5) . .
O1 C7 C8 106.8(10) . .
O1 C7 H7A 110.4 . .
C8 C7 H7A 110.4 . .
O1 C7 H7B 110.4 . .
C8 C7 H7B 110.4 . .
H7A C7 H7B 108.6 . .
O2 C8 O3 123.1(12) . .
O2 C8 C7 126.5(13) . .
O3 C8 C7 109.6(14) . .
O2 C8 Zn2 65.6(8) . 2_455
O3 C8 Zn2 58.0(7) . 2_455
C7 C8 Zn2 167.6(11) . 2_455
O4 C9 C10 114.8(6) . .
O4 C9 H9A 108.6 . .
C10 C9 H9A 108.6 . .
O4 C9 H9B 108.6 . .
C10 C9 H9B 108.6 . .
H9A C9 H9B 107.5 . .
O5 C10 O6 122.6(7) . .
O5 C10 C9 119.3(7) . .
O6 C10 C9 118.1(6) . .
C12 C11 C6 113.4(5) . .
C12 C11 C14 110.5(5) . .
C6 C11 C14 112.6(5) . .
C12 C11 H11 106.6 . .
C6 C11 H11 106.6 . .
C14 C11 H11 106.6 . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C14 C13 C18 123.1(5) . .
C14 C13 H13 118.5 . .
C18 C13 H13 118.5 . .
C13 C14 C15 117.8(6) . .
C13 C14 C11 122.5(5) . .
C15 C14 C11 119.7(5) . .
C14 C15 O7 115.7(5) . .
C14 C15 C16 121.6(5) . .
O7 C15 C16 122.8(5) . .
C17 C16 C15 118.8(5) . .
C17 C16 H16 120.6 . .
C15 C16 H16 120.6 . .
O10 C17 C16 122.3(5) . .
O10 C17 C18 116.3(5) . .
C16 C17 C18 121.5(6) . .
C13 C18 C17 117.2(5) . .
C13 C18 C23 122.5(5) . .
C17 C18 C23 120.3(5) . .
O7 C19 C20 114.5(6) . .
O7 C19 H19A 108.6 . .
C20 C19 H19A 108.6 . .
O7 C19 H19B 108.6 . .
C20 C19 H19B 108.6 . .
H19A C19 H19B 107.6 . .
O8 C20 O9 125.0(6) . .
O8 C20 C19 121.0(6) . .
O9 C20 C19 113.9(6) . .
O10 C21 C22 113.8(5) . .
O10 C21 H21A 108.8 . .
C22 C21 H21A 108.8 . .
O10 C21 H21B 108.8 . .
C22 C21 H21B 108.8 . .
H21A C21 H21B 107.7 . .
O11 C22 O12 121.7(6) . .
O11 C22 C21 121.4(6) . .
O12 C22 C21 116.9(6) . .
C26 C23 C18 113.9(5) . .
C26 C23 C24 113.3(5) . .
C18 C23 C24 110.4(5) . .
C26 C23 H23 106.2 . .
C18 C23 H23 106.2 . .
C24 C23 H23 106.2 . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C30 C25 C26 123.8(5) . .
C30 C25 H25 118.1 . .
C26 C25 H25 118.1 . .
C27 C26 C25 116.5(5) . .
C27 C26 C23 121.1(5) . .
C25 C26 C23 122.4(5) . .
O13 C27 C26 116.9(5) . .
O13 C27 C28 121.4(5) . .
C26 C27 C28 121.7(5) . .
C29 C28 C27 119.5(5) . .
C29 C28 H28 120.2 . .
C27 C28 H28 120.2 . .
O16 C29 C28 123.2(6) . .
O16 C29 C30 115.4(5) . .
C28 C29 C30 121.4(5) . .
C25 C30 C29 117.0(5) . .
C25 C30 C35 124.1(5) . .
C29 C30 C35 118.9(5) . .
O13 C31 C32 114.5(6) . .
O13 C31 H31A 108.6 . .
C32 C31 H31A 108.6 . .
O13 C31 H31B 108.6 . .
C32 C31 H31B 108.6 . .
H31A C31 H31B 107.6 . .
O14 C32 O15 124.2(8) . .
O14 C32 C31 116.1(8) . .
O15 C32 C31 119.4(6) . .
O16 C33 C34 106.2(5) . .
O16 C33 H33A 110.5 . .
C34 C33 H33A 110.5 . .
O16 C33 H33B 110.5 . .
C34 C33 H33B 110.5 . .
H33A C33 H33B 108.7 . .
O18 C34 O17 126.8(6) . .
O18 C34 C33 119.1(6) . .
O17 C34 C33 114.0(6) . .
C38 C35 C30 113.8(5) . .
C38 C35 C36 110.3(5) . .
C30 C35 C36 113.2(5) . .
C38 C35 H35 106.4 . .
C30 C35 H35 106.4 . .
C36 C35 H35 106.4 . .
C35 C36 H36A 109.5 . .
C35 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C35 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C38 C37 C42 123.5(5) . .
C38 C37 H37 118.2 . .
C42 C37 H37 118.2 . .
C39 C38 C37 116.8(6) . .
C39 C38 C35 122.9(5) . .
C37 C38 C35 120.3(5) . .
C40 C39 C38 122.0(6) . .
C40 C39 O19 118.1(5) . .
C38 C39 O19 119.9(6) . .
C39 C40 C41 119.8(5) . .
C39 C40 H40 120.1 . .
C41 C40 H40 120.1 . .
O22 C41 C40 122.3(5) . .
O22 C41 C42 116.9(6) . .
C40 C41 C42 120.8(6) . .
C37 C42 C41 117.0(6) . .
C37 C42 C47 122.1(5) . .
C41 C42 C47 120.9(6) . .
O19 C43 C44 111.1(5) . .
O19 C43 H43A 109.4 . .
C44 C43 H43A 109.4 . .
O19 C43 H43B 109.4 . .
C44 C43 H43B 109.4 . .
H43A C43 H43B 108.0 . .
O20 C44 O21 124.2(6) . .
O20 C44 C43 116.2(6) . .
O21 C44 C43 119.5(5) . .
O22 C45 C46 107.4(8) . .
O22 C45 H45A 110.2 . .
C46 C45 H45A 110.2 . .
O22 C45 H45B 110.2 . .
C46 C45 H45B 110.2 . .
H45A C45 H45B 108.5 . .
O24 C46 O23 115.0(16) . .
O24 C46 C45 129.2(11) . .
O23 C46 C45 110.9(17) . .
C2 C47 C42 111.9(5) . .
C2 C47 C48 114.2(6) . .
C42 C47 C48 109.4(6) . .
C2 C47 H47 107.0 . .
C42 C47 H47 107.0 . .
C48 C47 H47 107.0 . .
C47 C48 H48A 109.5 . .
C47 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C47 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
N1 C49 H49A 109.5 . .
N1 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
N1 C49 H49C 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
N1 C50 H50A 109.5 . .
N1 C50 H50B 109.5 . .
H50A C50 H50B 109.5 . .
N1 C50 H50C 109.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
N2 C51 H51A 109.5 . .
N2 C51 H51B 109.5 . .
H51A C51 H51B 109.5 . .
N2 C51 H51C 109.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
N2 C52 H52A 109.5 . .
N2 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
N2 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
C49 N1 C50 112(2) . .
C51 N2 C52 98.7(9) . .
C3 O1 C7 117.8(6) . .
C8 O2 Zn2 89.0(10) . 2_455
C8 O3 Zn2 92.2(10) . 2_455
C5 O4 C9 117.3(5) . .
C10 O5 Zn2 132.8(5) . .
C10 O6 Zn1 111.2(4) . 2
C15 O7 C19 118.7(5) . .
C20 O9 Zn2 114.1(4) . 2_445
C17 O10 C21 120.3(5) . .
C22 O12 Zn1 107.2(4) . 1_445
C22 O12 Zn3 133.9(4) . 1_545
Zn1 O12 Zn3 115.5(2) 1_445 1_545
C27 O13 C31 117.2(5) . .
C32 O15 Zn2 124.2(5) . .
C29 O16 C33 120.7(5) . .
C34 O17 Zn1 123.2(4) . 1_455
C34 O18 Zn3 133.0(5) . .
C39 O19 C43 115.3(5) . .
C39 O19 Zn3 120.0(4) . .
C43 O19 Zn3 108.9(3) . .
C44 O21 Zn3 125.0(4) . .
C41 O22 C45 118.3(6) . .
C46 O24 Zn1 132.4(8) . .
06W 06W O5W 113(7) 2_456 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O24 1.938(5) .
Zn1 O17 1.961(4) 1_655
Zn1 O6 1.960(5) 2
Zn1 O12 1.984(4) 1_665
Zn2 O15 1.931(5) .
Zn2 O9 1.954(4) 2_445
Zn2 O5 1.999(5) .
Zn2 O3 2.106(11) 2_455
Zn2 O2 2.262(10) 2_455
Zn2 C8 2.483(11) 2_455
Zn3 O18 1.963(5) .
Zn3 O21 1.979(5) .
Zn3 O1W 2.062(5) .
Zn3 O2W 2.095(7) .
Zn3 O12 2.110(4) 1_565
Zn3 O19 2.352(4) .
C1 C6 1.375(8) .
C1 C2 1.390(9) .
C1 H1 0.9300 .
C2 C3 1.371(10) .
C2 C47 1.490(8) .
C3 O1 1.369(7) .
C3 C4 1.397(9) .
C4 C5 1.360(9) .
C4 H4 0.9300 .
C5 C6 1.376(9) .
C5 O4 1.380(7) .
C6 C11 1.518(8) .
C7 O1 1.370(11) .
C7 C8 1.569(14) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 O2 1.065(16) .
C8 O3 1.238(16) .
C8 Zn2 2.483(11) 2_455
C9 O4 1.392(8) .
C9 C10 1.501(10) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 O5 1.237(8) .
C10 O6 1.252(8) .
C11 C12 1.513(9) .
C11 C14 1.534(9) .
C11 H11 0.9800 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 C14 1.371(8) .
C13 C18 1.379(8) .
C13 H13 0.9300 .
C14 C15 1.372(8) .
C15 O7 1.382(7) .
C15 C16 1.384(9) .
C16 C17 1.372(9) .
C16 H16 0.9300 .
C17 O10 1.368(7) .
C17 C18 1.387(7) .
C18 C23 1.522(8) .
C19 O7 1.403(7) .
C19 C20 1.513(10) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 O8 1.213(8) .
C20 O9 1.253(7) .
C21 O10 1.409(7) .
C21 C22 1.493(9) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 O11 1.209(8) .
C22 O12 1.248(7) .
C23 C26 1.510(8) .
C23 C24 1.540(9) .
C23 H23 0.9800 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 C30 1.370(8) .
C25 C26 1.395(8) .
C25 H25 0.9300 .
C26 C27 1.374(8) .
C27 O13 1.373(7) .
C27 C28 1.373(8) .
C28 C29 1.374(8) .
C28 H28 0.9300 .
C29 O16 1.370(7) .
C29 C30 1.381(9) .
C30 C35 1.509(8) .
C31 O13 1.409(8) .
C31 C32 1.511(10) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 O14 1.206(10) .
C32 O15 1.212(9) .
C33 O16 1.387(8) .
C33 C34 1.517(9) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 O18 1.235(8) .
C34 O17 1.241(8) .
C35 C38 1.507(9) .
C35 C36 1.516(10) .
C35 H35 0.9800 .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
C37 C38 1.383(8) .
C37 C42 1.385(9) .
C37 H37 0.9300 .
C38 C39 1.374(8) .
C39 C40 1.371(9) .
C39 O19 1.400(7) .
C40 C41 1.373(9) .
C40 H40 0.9300 .
C41 O22 1.352(8) .
C41 C42 1.393(8) .
C42 C47 1.512(8) .
C43 O19 1.438(7) .
C43 C44 1.505(9) .
C43 H43A 0.9700 .
C43 H43B 0.9700 .
C44 O20 1.226(7) .
C44 O21 1.238(8) .
C45 O22 1.367(10) .
C45 C46 1.449(16) .
C45 H45A 0.9700 .
C45 H45B 0.9700 .
C46 O24 1.106(15) .
C46 O23 1.29(2) .
C47 C48 1.538(11) .
C47 H47 0.9800 .
C48 H48A 0.9600 .
C48 H48B 0.9600 .
C48 H48C 0.9600 .
C49 N1 1.21(2) .
C49 H49A 0.9600 .
C49 H49B 0.9600 .
C49 H49C 0.9600 .
C50 N1 1.36(2) .
C50 H50A 0.9600 .
C50 H50B 0.9600 .
C50 H50C 0.9600 .
C51 N2 1.498(10) .
C51 H51A 0.9600 .
C51 H51B 0.9600 .
C51 H51C 0.9600 .
C52 N2 1.506(10) .
C52 H52A 0.9600 .
C52 H52B 0.9600 .
C52 H52C 0.9600 .
O2 Zn2 2.262(10) 2_455
O3 Zn2 2.106(11) 2_455
O6 Zn1 1.960(5) 2
O9 Zn2 1.954(4) 2_445
O12 Zn1 1.984(4) 1_445
O12 Zn3 2.110(4) 1_545
O17 Zn1 1.961(4) 1_455
O5W 06W 1.82(8) .
06W 06W 1.32(6) 2_456
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
C6 C1 C2 C3 -0.4(9) . .
C6 C1 C2 C47 176.1(6) . .
C1 C2 C3 O1 -176.6(6) . .
C47 C2 C3 O1 6.8(9) . .
C1 C2 C3 C4 0.8(10) . .
C47 C2 C3 C4 -175.8(6) . .
O1 C3 C4 C5 177.3(6) . .
C2 C3 C4 C5 -0.1(10) . .
C3 C4 C5 C6 -1.2(10) . .
C3 C4 C5 O4 179.0(6) . .
C2 C1 C6 C5 -0.8(9) . .
C2 C1 C6 C11 178.4(6) . .
C4 C5 C6 C1 1.7(9) . .
O4 C5 C6 C1 -178.6(5) . .
C4 C5 C6 C11 -177.6(6) . .
O4 C5 C6 C11 2.2(8) . .
O1 C7 C8 O2 12(2) . .
O1 C7 C8 O3 -177.7(12) . .
O1 C7 C8 Zn2 179(100) . 2_455
O4 C9 C10 O5 -173.8(6) . .
O4 C9 C10 O6 9.1(8) . .
C1 C6 C11 C12 -11.8(9) . .
C5 C6 C11 C12 167.4(6) . .
C1 C6 C11 C14 114.6(7) . .
C5 C6 C11 C14 -66.2(7) . .
C18 C13 C14 C15 1.3(9) . .
C18 C13 C14 C11 -179.6(5) . .
C12 C11 C14 C13 106.0(6) . .
C6 C11 C14 C13 -21.9(8) . .
C12 C11 C14 C15 -75.0(7) . .
C6 C11 C14 C15 157.1(5) . .
C13 C14 C15 O7 177.7(5) . .
C11 C14 C15 O7 -1.4(8) . .
C13 C14 C15 C16 -0.8(9) . .
C11 C14 C15 C16 -179.9(6) . .
C14 C15 C16 C17 -1.1(10) . .
O7 C15 C16 C17 -179.4(6) . .
C15 C16 C17 O10 -179.1(6) . .
C15 C16 C17 C18 2.5(9) . .
C14 C13 C18 C17 0.0(9) . .
C14 C13 C18 C23 179.8(5) . .
O10 C17 C18 C13 179.5(5) . .
C16 C17 C18 C13 -2.0(9) . .
O10 C17 C18 C23 -0.2(8) . .
C16 C17 C18 C23 178.3(6) . .
O7 C19 C20 O8 9.0(10) . .
O7 C19 C20 O9 -172.6(6) . .
O10 C21 C22 O11 -2.3(9) . .
O10 C21 C22 O12 179.0(5) . .
C13 C18 C23 C26 20.8(8) . .
C17 C18 C23 C26 -159.5(5) . .
C13 C18 C23 C24 -108.0(6) . .
C17 C18 C23 C24 71.7(7) . .
C30 C25 C26 C27 -0.1(9) . .
C30 C25 C26 C23 -179.4(6) . .
C18 C23 C26 C27 82.3(7) . .
C24 C23 C26 C27 -150.4(6) . .
C18 C23 C26 C25 -98.4(7) . .
C24 C23 C26 C25 28.9(8) . .
C25 C26 C27 O13 -177.6(5) . .
C23 C26 C27 O13 1.8(9) . .
C25 C26 C27 C28 2.9(9) . .
C23 C26 C27 C28 -177.7(6) . .
O13 C27 C28 C29 177.4(6) . .
C26 C27 C28 C29 -3.1(10) . .
C27 C28 C29 O16 178.8(6) . .
C27 C28 C29 C30 0.3(10) . .
C26 C25 C30 C29 -2.6(9) . .
C26 C25 C30 C35 175.5(6) . .
O16 C29 C30 C25 -176.2(6) . .
C28 C29 C30 C25 2.4(10) . .
O16 C29 C30 C35 5.6(9) . .
C28 C29 C30 C35 -175.7(6) . .
O13 C31 C32 O14 160.2(10) . .
O13 C31 C32 O15 -13.7(10) . .
O16 C33 C34 O18 17.1(10) . .
O16 C33 C34 O17 -166.4(6) . .
C25 C30 C35 C38 114.7(7) . .
C29 C30 C35 C38 -67.3(7) . .
C25 C30 C35 C36 -12.2(9) . .
C29 C30 C35 C36 165.9(6) . .
C42 C37 C38 C39 1.0(9) . .
C42 C37 C38 C35 -177.4(6) . .
C30 C35 C38 C39 145.0(6) . .
C36 C35 C38 C39 -86.6(7) . .
C30 C35 C38 C37 -36.7(8) . .
C36 C35 C38 C37 91.7(7) . .
C37 C38 C39 C40 -3.0(9) . .
C35 C38 C39 C40 175.4(6) . .
C37 C38 C39 O19 174.6(5) . .
C35 C38 C39 O19 -7.0(9) . .
C38 C39 C40 C41 2.7(10) . .
O19 C39 C40 C41 -175.0(6) . .
C39 C40 C41 O22 179.8(7) . .
C39 C40 C41 C42 -0.3(11) . .
C38 C37 C42 C41 1.2(10) . .
C38 C37 C42 C47 -178.6(6) . .
O22 C41 C42 C37 178.4(6) . .
C40 C41 C42 C37 -1.6(11) . .
O22 C41 C42 C47 -1.8(10) . .
C40 C41 C42 C47 178.2(7) . .
O19 C43 C44 O20 175.2(6) . .
O19 C43 C44 O21 -6.1(10) . .
O22 C45 C46 O24 12(4) . .
O22 C45 C46 O23 -142(3) . .
C3 C2 C47 C42 66.7(8) . .
C1 C2 C47 C42 -109.6(7) . .
C3 C2 C47 C48 -168.3(6) . .
C1 C2 C47 C48 15.4(9) . .
C37 C42 C47 C2 29.4(9) . .
C41 C42 C47 C2 -150.4(7) . .
C37 C42 C47 C48 -98.2(7) . .
C41 C42 C47 C48 82.0(8) . .
C2 C3 O1 C7 -147.5(9) . .
C4 C3 O1 C7 35.0(11) . .
C8 C7 O1 C3 170.8(7) . .
O3 C8 O2 Zn2 8.1(17) . 2_455
C7 C8 O2 Zn2 176.9(14) . 2_455
O2 C8 O3 Zn2 -8.7(18) . 2_455
C7 C8 O3 Zn2 -179.2(9) . 2_455
C4 C5 O4 C9 -17.0(9) . .
C6 C5 O4 C9 163.2(6) . .
C10 C9 O4 C5 83.8(7) . .
O6 C10 O5 Zn2 -168.6(4) . .
C9 C10 O5 Zn2 14.4(9) . .
O15 Zn2 O5 C10 -7.1(7) . .
O9 Zn2 O5 C10 -135.1(6) 2_445 .
O3 Zn2 O5 C10 96.2(7) 2_455 .
O2 Zn2 O5 C10 126.1(6) 2_455 .
C8 Zn2 O5 C10 111.6(7) 2_455 .
O5 C10 O6 Zn1 1.0(8) . 2
C9 C10 O6 Zn1 178.0(4) . 2
C14 C15 O7 C19 168.4(6) . .
C16 C15 O7 C19 -13.1(9) . .
C20 C19 O7 C15 84.6(8) . .
O8 C20 O9 Zn2 5.1(9) . 2_445
C19 C20 O9 Zn2 -173.2(4) . 2_445
C16 C17 O10 C21 13.4(9) . .
C18 C17 O10 C21 -168.2(5) . .
C22 C21 O10 C17 -89.1(7) . .
O11 C22 O12 Zn1 -7.4(8) . 1_445
C21 C22 O12 Zn1 171.3(5) . 1_445
O11 C22 O12 Zn3 150.2(6) . 1_545
C21 C22 O12 Zn3 -31.1(9) . 1_545
C26 C27 O13 C31 140.6(6) . .
C28 C27 O13 C31 -39.9(9) . .
C32 C31 O13 C27 100.5(7) . .
O14 C32 O15 Zn2 3.3(14) . .
C31 C32 O15 Zn2 176.6(5) . .
O9 Zn2 O15 C32 -40.0(7) 2_445 .
O5 Zn2 O15 C32 -153.6(6) . .
O3 Zn2 O15 C32 115.1(7) 2_455 .
O2 Zn2 O15 C32 58.2(7) 2_455 .
C8 Zn2 O15 C32 84.4(8) 2_455 .
C28 C29 O16 C33 22.4(11) . .
C30 C29 O16 C33 -158.9(7) . .
C34 C33 O16 C29 162.0(6) . .
O18 C34 O17 Zn1 -3.9(11) . 1_455
C33 C34 O17 Zn1 179.9(5) . 1_455
O17 C34 O18 Zn3 53.1(11) . .
C33 C34 O18 Zn3 -130.9(6) . .
O21 Zn3 O18 C34 116.9(10) . .
O1W Zn3 O18 C34 -142.3(7) . .
O2W Zn3 O18 C34 35.7(7) . .
O12 Zn3 O18 C34 -54.4(7) 1_565 .
O19 Zn3 O18 C34 124.6(6) . .
C40 C39 O19 C43 -63.3(8) . .
C38 C39 O19 C43 118.9(6) . .
C40 C39 O19 Zn3 70.1(6) . .
C38 C39 O19 Zn3 -107.7(6) . .
C44 C43 O19 C39 146.6(6) . .
C44 C43 O19 Zn3 8.3(7) . .
O18 Zn3 O19 C39 39.2(4) . .
O21 Zn3 O19 C39 -142.8(4) . .
O1W Zn3 O19 C39 -54.8(4) . .
O2W Zn3 O19 C39 127.7(4) . .
O12 Zn3 O19 C39 -154(2) 1_565 .
O18 Zn3 O19 C43 175.2(5) . .
O21 Zn3 O19 C43 -6.8(4) . .
O1W Zn3 O19 C43 81.2(4) . .
O2W Zn3 O19 C43 -96.3(5) . .
O12 Zn3 O19 C43 -18(3) 1_565 .
O20 C44 O21 Zn3 178.0(5) . .
C43 C44 O21 Zn3 -0.7(10) . .
O18 Zn3 O21 C44 12.3(14) . .
O1W Zn3 O21 C44 -89.1(6) . .
O2W Zn3 O21 C44 93.4(6) . .
O12 Zn3 O21 C44 -176.6(6) 1_565 .
O19 Zn3 O21 C44 4.3(6) . .
C40 C41 O22 C45 21.5(14) . .
C42 C41 O22 C45 -158.5(11) . .
C46 C45 O22 C41 163.0(14) . .
O23 C46 O24 Zn1 -13(4) . .
C45 C46 O24 Zn1 -165.9(17) . .
O17 Zn1 O24 C46 129(2) 1_655 .
O6 Zn1 O24 C46 -125(2) 2 .
O12 Zn1 O24 C46 15(2) 1_665 .
