#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:31:49 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179635 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/99/4509902.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_4509902
loop_
_publ_author_name
'Li, Bao'
'Chen, Xi'
'Yu, Fan'
'Yu, Wenjing'
'Zhang, Tianle'
'Sun, Di'
_publ_section_title
;
 Luminescent Response of One Anionic Metal--Organic Framework Based on
 Novel Octa-nuclear Zinc Cluster to Exchanged Cations
;
_journal_issue                   2
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              410
_journal_paper_doi               10.1021/cg401766j
_journal_volume                  14
_journal_year                    2014
_chemical_formula_sum            'C168 H96 N12 O79 P12 Zn11'
_chemical_formula_weight         4637.50
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            12
_cell_length_a                   34.0012(30)
_cell_length_b                   34.0012(30)
_cell_length_c                   154.0023(50)
_cell_measurement_temperature    173(2)
_cell_volume                     154186(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.954
_diffrn_measured_fraction_theta_max 0.954
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0648
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       153
_diffrn_reflns_limit_l_min       -152
_diffrn_reflns_number            17574
_diffrn_reflns_theta_full        21.00
_diffrn_reflns_theta_max         21.00
_diffrn_reflns_theta_min         2.22
_exptl_absorpt_coefficient_mu    0.577
_exptl_absorpt_correction_T_max  0.9445
_exptl_absorpt_correction_T_min  0.9184
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            COLORLESS
_exptl_crystal_density_diffrn    0.599
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             27957
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.705
_refine_diff_density_min         -0.354
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.173
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     829
_refine_ls_number_reflns         17574
_refine_ls_number_restraints     658
_refine_ls_restrained_S_all      1.202
_refine_ls_R_factor_all          0.2588
_refine_ls_R_factor_gt           0.1401
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3510
_refine_ls_wR_factor_ref         0.4341
_reflns_number_gt                5817
_reflns_number_total             17574
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg401766j_si_002.cif
_cod_data_source_block           p
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'TRIGONAL' changed to 'trigonal'
according to
/usr/data/users/saulius/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN'
changed to 'multi-scan' according to
/usr/data/users/saulius/automatic-downloads/current/ACS/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        154186.00(1988)
_cod_original_sg_symbol_H-M      'R -3 C'
_cod_database_code               4509902
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'-x, -x+y, -z+1/2'
'x-y, -y, -z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'x, x-y, z-1/2'
'-x+y, y, z-1/2'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'
'-x+y+1/3, y+2/3, z+1/6'
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 0.38662(6) 0.66593(6) 0.509400(9) 0.2288(9) Uani 1 1 d .
Zn2 Zn 0.3333 0.6667 0.526341(15) 0.2286(12) Uani 1 3 d S
Zn3 Zn 0.47997(6) 0.66598(6) 0.502052(9) 0.2368(9) Uani 1 1 d .
Zn4 Zn 0.6667 0.3333 0.449853(15) 0.2442(13) Uani 1 3 d S
Zn5 Zn 0.51858(9) 0.53547(10) 0.405600(16) 0.3469(14) Uani 1 1 d .
O1 O 0.6408(3) 0.3687(3) 0.47071(5) 0.244(3) Uani 1 1 d DU
O2 O 0.6241(4) 0.3446(4) 0.45660(6) 0.277(4) Uani 1 1 d DU
O3 O 0.5364(4) 0.5438(5) 0.41706(7) 0.3469(14) Uani 1 1 d DU
O4 O 0.4640(5) 0.4983(6) 0.42457(11) 0.489(12) Uani 1 1 d DU
O5 O 0.6268(3) 0.3946(3) 0.49105(5) 0.228(3) Uani 1 1 d D
O6 O 0.5663(3) 0.3959(3) 0.49751(5) 0.257(4) Uani 1 1 d D
O7 O 0.4978(6) 0.6621(7) 0.48466(13) 0.487(8) Uani 1 1 d D
O8 O 0.5356(3) 0.6683(3) 0.49847(7) 0.274(4) Uani 1 1 d D
O9 O 0.8033(3) 0.4910(3) 0.48622(5) 0.248(3) Uani 1 1 d DU
O10 O 0.7323(3) 0.4323(3) 0.48269(5) 0.228(3) Uani 1 1 d D
O11 O 0.6616(7) 0.7505(7) 0.43214(9) 0.417(11) Uani 1 1 d D
O12 O 0.6747(7) 0.7911(6) 0.44645(11) 0.425(11) Uani 1 1 d D
O19 O 0.3968(4) 0.6925(3) 0.49820(6) 0.254(4) Uani 1 1 d D
O20 O 0.4684(4) 0.7024(4) 0.49496(7) 0.293(5) Uani 1 1 d D
O21 O 0.5605(9) 0.7235(8) 0.42728(13) 0.608(17) Uani 1 1 d DU
O22 O 0.6011(7) 0.7997(7) 0.43217(10) 0.474(10) Uani 1 1 d DU
O13 O 0.5861(5) 0.5129(5) 0.45981(6) 0.269(4) Uani 1 1 d D
O14 O 0.5969(4) 0.5848(4) 0.45662(7) 0.310(5) Uani 1 1 d DU
O15 O 0.6834(3) 0.5990(3) 0.48377(7) 0.271(4) Uani 1 1 d D
O16 O 0.6831(3) 0.6590(4) 0.47612(7) 0.280(4) Uani 1 1 d D
O17 O 0.7465(4) 0.5856(4) 0.45688(6) 0.279(4) Uani 1 1 d D
O18 O 0.7411(4) 0.6465(5) 0.45245(7) 0.349(7) Uani 1 1 d D
C1 C 0.5941(4) 0.4769(4) 0.46044(8) 0.246(5) Uani 1 1 d DU
C2 C 0.5976(4) 0.4619(4) 0.46879(7) 0.232(4) Uani 1 1 d DU
H2 H 0.5934 0.4753 0.4737 0.279 Uiso 1 1 calc R
C3 C 0.6071(4) 0.4274(4) 0.46956(7) 0.226(4) Uani 1 1 d DU
H3 H 0.6098 0.4171 0.4750 0.271 Uiso 1 1 calc R
C4 C 0.6126(4) 0.4080(4) 0.46197(7) 0.227(4) Uani 1 1 d DU
C5 C 0.6061(5) 0.4204(5) 0.45389(7) 0.251(5) Uani 1 1 d DU
H5 H 0.6063 0.4044 0.4490 0.301 Uiso 1 1 calc R
C6 C 0.5991(5) 0.4570(5) 0.45311(8) 0.263(5) Uani 1 1 d DU
H6 H 0.5979 0.4680 0.4476 0.316 Uiso 1 1 calc R
C7 C 0.6258(4) 0.3745(4) 0.46281(7) 0.241(5) Uani 1 1 d DU
C8 C 0.5764(6) 0.5712(6) 0.44850(9) 0.341(9) Uani 1 1 d DU
C9 C 0.6024(5) 0.5808(6) 0.44130(10) 0.389(10) Uani 1 1 d DU
H9 H 0.6339 0.5968 0.4417 0.466 Uiso 1 1 calc R
C10 C 0.5811(5) 0.5663(7) 0.43321(10) 0.410(10) Uani 1 1 d DU
H10 H 0.5981 0.5713 0.4282 0.492 Uiso 1 1 calc R
C11 C 0.5343(6) 0.5443(6) 0.43290(8) 0.390(10) Uani 1 1 d DU
C12 C 0.5083(5) 0.5318(8) 0.44028(9) 0.403(10) Uani 1 1 d DU
H12 H 0.4769 0.5135 0.4400 0.484 Uiso 1 1 calc R
C13 C 0.5303(5) 0.5475(8) 0.44829(10) 0.380(9) Uani 1 1 d DU
H13 H 0.5136 0.5417 0.4534 0.456 Uiso 1 1 calc R
C14 C 0.5111(5) 0.5284(5) 0.42477(8) 0.345(9) Uani 1 1 d DU
C15 C 0.6642(5) 0.5539(4) 0.48644(7) 0.222(5) Uani 1 1 d DU
C16 C 0.6875(4) 0.5323(4) 0.48485(6) 0.212(4) Uani 1 1 d DU
H16 H 0.7156 0.5472 0.4821 0.254 Uiso 1 1 calc R
C17 C 0.6687(4) 0.4869(4) 0.48742(6) 0.213(4) Uani 1 1 d DU
H17 H 0.6841 0.4711 0.4865 0.255 Uiso 1 1 calc R
C18 C 0.6269(4) 0.4667(3) 0.49128(6) 0.203(4) Uani 1 1 d DU
C19 C 0.6038(4) 0.4885(4) 0.49304(7) 0.227(5) Uani 1 1 d DU
H19 H 0.5760 0.4741 0.4959 0.272 Uiso 1 1 calc R
C20 C 0.6229(4) 0.5331(4) 0.49041(8) 0.241(5) Uani 1 1 d DU
H20 H 0.6076 0.5490 0.4913 0.289 Uiso 1 1 calc R
C21 C 0.6069(4) 0.4192(4) 0.49325(6) 0.215(5) Uani 1 1 d DU
C22 C 0.6477(5) 0.6629(4) 0.48002(11) 0.344(8) Uani 1 1 d DU
C23 C 0.6165(6) 0.6634(6) 0.47395(12) 0.446(8) Uani 1 1 d DU
H23 H 0.6212 0.6629 0.4680 0.536 Uiso 1 1 calc R
C24 C 0.5793(6) 0.6648(7) 0.47706(11) 0.446(8) Uani 1 1 d DU
H24 H 0.5582 0.6654 0.4733 0.536 Uiso 1 1 calc R
C25 C 0.5743(6) 0.6654(6) 0.48583(12) 0.464(10) Uani 1 1 d DU
C26 C 0.6058(5) 0.6670(6) 0.49199(10) 0.379(7) Uani 1 1 d DU
H26 H 0.6024 0.6698 0.4979 0.455 Uiso 1 1 calc R
C27 C 0.6437(6) 0.6640(6) 0.48849(11) 0.393(8) Uani 1 1 d DU
H27 H 0.6648 0.6628 0.4922 0.471 Uiso 1 1 calc R
C28 C 0.5350(6) 0.6655(6) 0.48940(9) 0.487(8) Uani 1 1 d DU
C29 C 0.7519(5) 0.5575(5) 0.46288(7) 0.240(5) Uani 1 1 d DU
C30 C 0.7887(4) 0.5762(4) 0.46832(7) 0.238(5) Uani 1 1 d DU
H30 H 0.8095 0.6072 0.4681 0.285 Uiso 1 1 calc R
C31 C 0.7950(4) 0.5487(4) 0.47416(7) 0.236(5) Uani 1 1 d DU
H31 H 0.8205 0.5606 0.4777 0.283 Uiso 1 1 calc R
C32 C 0.7630(4) 0.5042(4) 0.47458(6) 0.218(5) Uani 1 1 d DU
C33 C 0.7258(4) 0.4838(4) 0.46902(6) 0.230(4) Uani 1 1 d DU
H33 H 0.7050 0.4528 0.4693 0.276 Uiso 1 1 calc R
C34 C 0.7211(4) 0.5116(4) 0.46309(7) 0.233(5) Uani 1 1 d DU
H34 H 0.6970 0.4993 0.4592 0.279 Uiso 1 1 calc R
C35 C 0.7657(4) 0.4761(4) 0.48128(7) 0.233(6) Uani 1 1 d DU
C36 C 0.7238(5) 0.6738(5) 0.44956(12) 0.332(8) Uani 1 1 d DU
C37 C 0.7160(6) 0.6990(6) 0.45581(10) 0.352(8) Uani 1 1 d DU
H37 H 0.7207 0.6964 0.4617 0.422 Uiso 1 1 calc R
C38 C 0.7008(7) 0.7281(6) 0.45290(10) 0.381(8) Uani 1 1 d DU
H38 H 0.6957 0.7458 0.4568 0.457 Uiso 1 1 calc R
C39 C 0.6936(6) 0.7304(6) 0.44426(11) 0.367(9) Uani 1 1 d DU
C40 C 0.7009(8) 0.7039(7) 0.43812(10) 0.377(9) Uani 1 1 d DU
H40 H 0.6943 0.7040 0.4323 0.452 Uiso 1 1 calc R
C41 C 0.7187(6) 0.6775(6) 0.44133(10) 0.347(7) Uani 1 1 d DU
H41 H 0.7271 0.6621 0.4374 0.417 Uiso 1 1 calc R
C42 C 0.6771(5) 0.7593(6) 0.44090(10) 0.395(18) Uani 1 1 d D
C43 C 0.4196(5) 0.7421(4) 0.46739(7) 0.290(7) Uani 1 1 d DU
C44 C 0.3856(4) 0.7364(4) 0.47341(7) 0.258(5) Uani 1 1 d DU
H44 H 0.3613 0.7403 0.4719 0.310 Uiso 1 1 calc R
C45 C 0.3912(4) 0.7244(4) 0.48184(8) 0.253(5) Uani 1 1 d DU
H45 H 0.3699 0.7198 0.4861 0.303 Uiso 1 1 calc R
C46 C 0.4274(4) 0.7194(4) 0.48387(7) 0.238(5) Uani 1 1 d DU
C47 C 0.4608(4) 0.7259(5) 0.47792(8) 0.276(5) Uani 1 1 d DU
H47 H 0.4863 0.7241 0.4795 0.332 Uiso 1 1 calc R
C48 C 0.4532(5) 0.7354(6) 0.46941(8) 0.293(6) Uani 1 1 d DU
H48 H 0.4728 0.7370 0.4650 0.351 Uiso 1 1 calc R
C49 C 0.4317(5) 0.7063(4) 0.49250(7) 0.255(6) Uani 1 1 d D
C50 C 0.4375(6) 0.7467(8) 0.44046(9) 0.398(11) Uani 1 1 d DU
C51 C 0.4750(6) 0.7892(6) 0.44101(11) 0.435(11) Uani 1 1 d DU
H51 H 0.4733 0.8132 0.4435 0.522 Uiso 1 1 calc R
C52 C 0.5168(6) 0.7951(7) 0.43761(12) 0.436(10) Uani 1 1 d DU
H52 H 0.5430 0.8235 0.4378 0.523 Uiso 1 1 calc R
C53 C 0.5176(6) 0.7583(7) 0.43412(10) 0.416(9) Uani 1 1 d DU
C54 C 0.4773(7) 0.7157(7) 0.43349(13) 0.431(10) Uani 1 1 d DU
H54 H 0.4777 0.6911 0.4309 0.518 Uiso 1 1 calc R
C55 C 0.4383(7) 0.7112(7) 0.43667(14) 0.437(11) Uani 1 1 d DU
H55 H 0.4116 0.6834 0.4362 0.525 Uiso 1 1 calc R
C56 C 0.5586(6) 0.7605(7) 0.43114(10) 0.386(10) Uani 1 1 d DU
P1 P 0.6233(3) 0.5639(3) 0.46099(4) 0.278(2) Uani 1 1 d .
N1 N 0.7203(4) 0.6212(5) 0.46835(11) 0.282(5) Uani 1 1 d .
P2 P 0.6780(3) 0.6117(3) 0.47409(4) 0.2558(19) Uani 1 1 d .
N2 N 0.6650(6) 0.5713(6) 0.45527(7) 0.269(5) Uani 1 1 d .
P3 P 0.7133(3) 0.6031(3) 0.45866(4) 0.277(2) Uani 1 1 d .
N3 N 0.6310(6) 0.5796(6) 0.47063(9) 0.251(5) Uani 1 1 d .
P4 P 0.3760(4) 0.7131(4) 0.45270(3) 0.331(3) Uani 1 1 d .
N4 N 0.3837(9) 0.6729(13) 0.45382(10) 0.351(9) Uani 1 1 d .
O23 O 0.4143(5) 0.7543(5) 0.45899(6) 0.350(6) Uani 1 1 d DU
O24 O 0.3963(5) 0.7394(5) 0.44372(6) 0.370(7) Uani 1 1 d D
O25 O 0.3333 0.6667 0.51364(7) 0.222(5) Uani 1 3 d S
O26 O 0.7080(4) 0.3154(4) 0.44212(6) 0.318(5) Uani 1 1 d .
O27 O 0.5042(7) 0.4668(6) 0.40297(14) 0.490(11) 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'
P P 0.1020 0.0940 '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
O10 Zn1 O5 112.3(15) 20_566 19_666
O10 Zn1 O19 114(9) 20_566 .
O5 Zn1 O19 112(5) 19_666 .
O10 Zn1 O25 105(7) 20_566 .
O5 Zn1 O25 108.1(3) 19_666 .
O19 Zn1 O25 104(4) . .
O10 Zn1 Zn1 136(5) 20_566 3_565
O5 Zn1 Zn1 78.5(3) 19_666 3_565
O19 Zn1 Zn1 98.8(15) . 3_565
O25 Zn1 Zn1 35.4(18) . 3_565
O10 Zn1 Zn1 100.1(9) 20_566 2_665
O5 Zn1 Zn1 138.5(3) 19_666 2_665
O19 Zn1 Zn1 75(3) . 2_665
O25 Zn1 Zn1 35.4(18) . 2_665
Zn1 Zn1 Zn1 60.000(1) 3_565 2_665
O10 Zn1 Zn2 76(10) 20_566 .
O5 Zn1 Zn2 102.2(10) 19_666 .
O19 Zn1 Zn2 135(7) . .
O10 Zn1 Zn3 74(7) 20_566 .
O5 Zn1 Zn3 72.5(3) 19_666 .
O19 Zn1 Zn3 75(4) . .
O25 Zn1 Zn3 179.3(2) . .
Zn1 Zn1 Zn3 145.2(19) 3_565 .
Zn1 Zn1 Zn3 144.1(18) 2_665 .
O1 Zn2 O1 114(2) 21_556 20_566
O1 Zn2 O1 114(2) 21_556 19_666
O1 Zn2 O1 114(2) 20_566 19_666
O1 Zn2 O25 104(3) 21_556 .
O1 Zn2 O25 104(3) 20_566 .
O1 Zn2 O25 104(3) 19_666 .
O1 Zn2 Zn1 99(3) 21_556 2_665
O1 Zn2 Zn1 75(7) 20_566 2_665
O1 Zn2 Zn1 134.5(18) 19_666 2_665
O1 Zn2 Zn1 134.5(18) 21_556 .
O1 Zn2 Zn1 99(3) 20_566 .
O1 Zn2 Zn1 75(7) 19_666 .
O1 Zn2 Zn1 75(7) 21_556 3_565
O1 Zn2 Zn1 134.5(18) 20_566 3_565
O1 Zn2 Zn1 99(3) 19_666 3_565
O20 Zn3 O6 115.5(15) . 19_666
O20 Zn3 O9 112(8) . 20_566
O6 Zn3 O9 107(4) 19_666 20_566
O20 Zn3 O8 110(6) . .
O6 Zn3 O8 107.9(4) 19_666 .
O9 Zn3 O8 105(3) 20_566 .
O20 Zn3 Zn1 71(7) . .
O6 Zn3 Zn1 74.3(3) 19_666 .
O9 Zn3 Zn1 72(4) 20_566 .
O8 Zn3 Zn1 176.4(5) . .
O2 Zn4 O2 95(7) 2_655 3_665
O2 Zn4 O2 95(7) 2_655 .
O2 Zn4 O2 95(7) 3_665 .
O2 Zn4 O26 83(8) 2_655 .
O2 Zn4 O26 90(7) 3_665 .
O2 Zn4 O26 174.9(5) . .
O2 Zn4 O26 90(7) 2_655 3_665
O2 Zn4 O26 174.9(5) 3_665 3_665
O2 Zn4 O26 83(8) . 3_665
O26 Zn4 O26 92(7) . 3_665
O2 Zn4 O26 174.9(5) 2_655 2_655
O2 Zn4 O26 83(8) 3_665 2_655
O2 Zn4 O26 90(7) . 2_655
O26 Zn4 O26 92(7) . 2_655
O26 Zn4 O26 92(7) 3_665 2_655
O22 Zn5 O3 126.7(14) 12_565 .
O22 Zn5 O11 117(5) 12_565 12_565
O3 Zn5 O11 95(7) . 12_565
O22 Zn5 O27 101(2) 12_565 .
O3 Zn5 O27 103.0(19) . .
O11 Zn5 O27 114(3) 12_565 .
C7 O1 Zn2 129.6(18) . 19_666
C7 O2 Zn4 138(3) . .
C14 O3 Zn5 131(8) . .
C21 O5 Zn1 139.8(9) . 19_666
C21 O6 Zn3 134(2) . 19_666
C28 O8 Zn3 108(3) . .
C35 O9 Zn3 134(4) . 21_656
C35 O10 Zn1 137(2) . 21_656
C42 O11 Zn5 111(4) . 12_565
C49 O19 Zn1 132(5) . .
C49 O20 Zn3 137.9(9) . .
C56 O22 Zn5 117(2) . 12_565
C1 O13 P1 124.4(11) . .
C8 O14 P1 123(3) . .
C15 O15 P2 121.4(11) . .
C22 O16 P2 121.4(11) . .
C29 O17 P3 121(6) . .
C36 O18 P3 123(2) . .
C6 C1 O13 120(6) . .
C6 C1 C2 121(10) . .
O13 C1 C2 118(4) . .
C3 C2 C1 119(3) . .
C3 C2 H2 120.5 . .
C1 C2 H2 120.5 . .
C2 C3 C4 118(6) . .
C2 C3 H3 120.8 . .
C4 C3 H3 120.8 . .
C5 C4 C3 122(10) . .
C5 C4 C7 119(3) . .
C3 C4 C7 118(6) . .
C4 C5 C6 119(3) . .
C4 C5 H5 120.6 . .
C6 C5 H5 120.6 . .
C1 C6 C5 119(6) . .
C1 C6 H6 120.3 . .
C5 C6 H6 120.3 . .
O1 C7 O2 113(9) . .
O1 C7 C4 119(3) . .
O2 C7 C4 128(6) . .
C9 C8 C13 123(6) . .
C9 C8 O14 120(10) . .
C13 C8 O14 117(4) . .
C8 C9 C10 119(10) . .
C8 C9 H9 120.5 . .
C10 C9 H9 120.5 . .
C11 C10 C9 118(4) . .
C11 C10 H10 120.9 . .
C9 C10 H10 120.9 . .
C12 C11 C10 122(6) . .
C12 C11 C14 117(10) . .
C10 C11 C14 120(4) . .
C11 C12 C13 118(10) . .
C11 C12 H12 120.9 . .
C13 C12 H12 120.9 . .
C8 C13 C12 119(5) . .
C8 C13 H13 120.5 . .
C12 C13 H13 120.5 . .
O3 C14 O4 121(6) . .
O3 C14 C11 119(10) . .
O4 C14 C11 120(5) . .
C16 C15 C20 122.4(11) . .
C16 C15 O15 118(2) . .
C20 C15 O15 120(2) . .
C15 C16 C17 119(2) . .
C15 C16 H16 120.6 . .
C17 C16 H16 120.6 . .
C18 C17 C16 117.7(19) . .
C18 C17 H17 121.1 . .
C16 C17 H17 121.1 . .
C19 C18 C17 123.7(11) . .
C19 C18 C21 120(2) . .
C17 C18 C21 116.5(14) . .
C18 C19 C20 117(3) . .
C18 C19 H19 121.3 . .
C20 C19 H19 121.3 . .
C15 C20 C19 120.0(19) . .
C15 C20 H20 120.0 . .
C19 C20 H20 120.0 . .
O5 C21 O6 115.8(17) . .
O5 C21 C18 123(2) . .
O6 C21 C18 121.6(12) . .
C27 C22 O16 122(3) . .
C27 C22 C23 125(7) . .
O16 C22 C23 113(10) . .
C24 C23 C22 118(9) . .
C24 C23 H23 120.8 . .
C22 C23 H23 120.8 . .
C25 C24 C23 118(3) . .
C25 C24 H24 121.1 . .
C23 C24 H24 121.1 . .
C24 C25 C26 125(7) . .
C24 C25 C28 120(3) . .
C26 C25 C28 115(10) . .
C25 C26 C27 116(10) . .
C25 C26 H26 122.2 . .
C27 C26 H26 122.2 . .
C22 C27 C26 119(3) . .
C22 C27 H27 120.7 . .
C26 C27 H27 120.7 . .
O8 C28 O7 120(5) . .
O8 C28 C25 114(4) . .
O7 C28 C25 126(9) . .
C30 C29 C34 121(3) . .
C30 C29 O17 119(6) . .
C34 C29 O17 120(3) . .
C29 C30 C31 120(5) . .
C29 C30 H30 120.1 . .
C31 C30 H30 120.1 . .
C32 C31 C30 118(2) . .
C32 C31 H31 120.8 . .
C30 C31 H31 120.8 . .
C31 C32 C33 123(4) . .
C31 C32 C35 120(3) . .
C33 C32 C35 117(6) . .
C34 C33 C32 117(6) . .
C34 C33 H33 121.6 . .
C32 C33 H33 121.6 . .
C29 C34 C33 121(3) . .
C29 C34 H34 119.6 . .
C33 C34 H34 119.6 . .
O9 C35 O10 116(4) . .
O9 C35 C32 121(5) . .
O10 C35 C32 123.0(13) . .
C41 C36 O18 119.9(19) . .
C41 C36 C37 123(8) . .
O18 C36 C37 117(9) . .
C36 C37 C38 118(9) . .
C36 C37 H37 121.2 . .
C38 C37 H37 121.2 . .
C39 C38 C37 119.6(19) . .
C39 C38 H38 120.2 . .
C37 C38 H38 120.2 . .
C38 C39 C40 122(8) . .
C38 C39 C42 122(2) . .
C40 C39 C42 116(9) . .
C41 C40 C39 116(9) . .
C41 C40 H40 121.8 . .
C39 C40 H40 121.8 . .
C36 C41 C40 122(2) . .
C36 C41 H41 119.0 . .
C40 C41 H41 119.0 . .
O12 C42 O11 125(6) . .
O12 C42 C39 120(9) . .
O11 C42 C39 115(3) . .
C48 C43 O23 121.8(14) . .
C48 C43 C44 123(8) . .
O23 C43 C44 115(8) . .
C45 C44 C43 115(8) . .
C45 C44 H44 122.3 . .
C43 C44 H44 122.3 . .
C46 C45 C44 120.6(12) . .
C46 C45 H45 119.7 . .
C44 C45 H45 119.7 . .
C45 C46 C47 123(8) . .
C45 C46 C49 119.4(11) . .
C47 C46 C49 117(8) . .
C46 C47 C48 115(9) . .
C46 C47 H47 122.5 . .
C48 C47 H47 122.5 . .
C43 C48 C47 122.6(14) . .
C43 C48 H48 118.7 . .
C47 C48 H48 118.7 . .
O19 C49 O20 118(8) . .
O19 C49 C46 120(7) . .
O20 C49 C46 121.7(10) . .
C55 C50 C51 122.8(14) . .
C55 C50 O24 118(3) . .
C51 C50 O24 119(2) . .
C50 C51 C52 118(2) . .
C50 C51 H51 121.2 . .
C52 C51 H51 121.2 . .
C53 C52 C51 119(2) . .
C53 C52 H52 120.5 . .
C51 C52 H52 120.5 . .
C52 C53 C54 120.7(12) . .
C52 C53 C56 123(2) . .
C54 C53 C56 116.8(18) . .
C55 C54 C53 119(2) . .
C55 C54 H54 120.5 . .
C53 C54 H54 120.5 . .
C54 C55 C50 121(3) . .
C54 C55 H55 119.5 . .
C50 C55 H55 119.5 . .
O22 C56 O21 114.0(13) . .
O22 C56 C53 122(2) . .
O21 C56 C53 124(2) . .
O14 P1 N3 107(6) . .
O14 P1 O13 97.2(16) . .
N3 P1 O13 113(2) . .
O14 P1 N2 111(8) . .
O13 P1 N2 106(3) . .
N3 P2 O16 110.5(13) . .
O16 P2 N1 106.4(17) . .
N3 P2 O15 111(4) . .
O16 P2 O15 97(6) . .
N1 P2 O15 111(8) . .
N2 P3 O17 114(2) . .
N2 P3 N1 120(2) . .
O17 P3 N1 108.5(9) . .
N2 P3 O18 112(7) . .
O17 P3 O18 92(3) . .
N1 P3 O18 107(9) . .
P2 N3 P1 121(2) . .
N4 P4 O24 112.3(19) . .
N4 P4 N4 125(2) . 2_665
O24 P4 N4 105.1(14) . 2_665
N4 P4 O23 106(3) . .
O24 P4 O23 95(10) . .
N4 P4 O23 109(3) 2_665 .
P4 N4 P4 113(2) . 3_565
C43 O23 P4 117(7) . .
C50 O24 P4 122(3) . .
Zn1 O25 Zn1 109(4) 2_665 3_565
Zn1 O25 Zn1 109(4) 2_665 .
Zn1 O25 Zn1 109(4) 3_565 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O10 1.86(19) 20_566
Zn1 O19 1.9(2) .
Zn3 O6 1.9(3) 19_666
Zn3 O9 1.9(2) 20_566
Zn5 O22 1.8(2) 12_565
Zn5 O11 2.0(3) 12_565
O1 C7 1.37(15) .
O2 C7 1.38(14) .
O3 C14 1.41(15) .
O4 C14 1.4(2) .
O5 C21 1.35(19) .
O6 C21 1.37(16) .
O6 Zn3 1.9(3) 19_666
O7 C28 1.41(16) .
O8 C28 1.40(19) .
O9 C35 1.35(15) .
O9 Zn3 1.9(2) 21_656
O10 Zn1 1.86(19) 21_656
O11 C42 1.42(18) .
O11 Zn5 2.0(3) 12_565
O12 C42 1.41(15) .
O19 C49 1.36(14) .
O20 C49 1.37(19) .
O21 C56 1.42(18) .
O22 C56 1.4(2) .
O22 Zn5 1.8(2) 12_565
O13 C1 1.4(2) .
O14 C8 1.39(16) .
O14 P1 1.55(19) .
O15 C15 1.40(19) .
O15 P2 1.59(19) .
O16 C22 1.41(17) .
O17 C29 1.40(14) .
O18 C36 1.40(19) .
O18 P3 1.61(17) .
C1 C6 1.37(14) .
C1 C2 1.41(16) .
C2 C3 1.4(2) .
C2 H2 0.9300 .
C3 C4 1.40(15) .
C3 H3 0.9300 .
C4 C5 1.37(16) .
C4 C7 1.4(2) .
C5 C6 1.4(2) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C8 C9 1.35(14) .
C8 C13 1.4(2) .
C9 C10 1.40(16) .
C9 H9 0.9300 .
C10 C11 1.4(2) .
C10 H10 0.9300 .
C11 C12 1.37(14) .
C11 C14 1.43(16) .
C12 C13 1.40(16) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C15 C16 1.35(19) .
C15 C20 1.36(16) .
C16 C17 1.40(19) .
C16 H16 0.9300 .
C17 C18 1.37(17) .
C17 H17 0.9300 .
C18 C19 1.35(19) .
C19 C20 1.38(19) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C22 C27 1.31(18) .
C22 C23 1.42(15) .
C23 C24 1.38(18) .
C23 H23 0.9300 .
C24 C25 1.36(18) .
C24 H24 0.9300 .
C25 C26 1.41(14) .
C25 C28 1.44(18) .
C26 C27 1.45(19) .
C26 H26 0.9300 .
C27 H27 0.9300 .
C29 C30 1.37(15) .
C29 C34 1.4(2) .
C30 C31 1.39(14) .
C30 H30 0.9300 .
C31 H31 0.9300 .
C32 C33 1.39(15) .
C32 C35 1.44(14) .
C33 C34 1.38(14) .
C33 H33 0.9300 .
C34 H34 0.9300 .
C36 C41 1.29(17) .
C36 C37 1.40(14) .
C37 C38 1.40(19) .
C37 H37 0.9300 .
C38 C39 1.36(18) .
C38 H38 0.9300 .
C39 C40 1.41(14) .
C39 C42 1.45(19) .
C40 C41 1.40(18) .
C40 H40 0.9300 .
C41 H41 0.9300 .
C43 C48 1.31(18) .
C43 O23 1.40(17) .
C43 C44 1.42(15) .
C44 C45 1.40(17) .
C44 H44 0.9300 .
C45 C46 1.36(19) .
C45 H45 0.9300 .
C46 C47 1.39(14) .
C46 C49 1.43(17) .
C47 C48 1.40(17) .
C47 H47 0.9300 .
C48 H48 0.9300 .
C50 C55 1.35(17) .
C50 C51 1.4(2) .
C50 O24 1.39(18) .
C51 C52 1.43(18) .
C51 H51 0.9300 .
C52 C53 1.38(17) .
C52 H52 0.9300 .
C53 C54 1.4(2) .
C53 C56 1.43(19) .
C54 C55 1.35(17) .
C54 H54 0.9300 .
C55 H55 0.9300 .
P4 O24 1.60(17) .
P4 N4 1.6(2) 2_665
P4 O23 1.67(18) .
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
O10 Zn1 Zn2 O1 -178.4(5) 20_566 21_556
O5 Zn1 Zn2 O1 -68(3) 19_666 21_556
O19 Zn1 Zn2 O1 72(4) . 21_556
O25 Zn1 Zn2 O1 35.9(18) . 21_556
O5 Zn1 Zn2 O1 154.2(17) 19_666 20_566
O19 Zn1 Zn2 O1 -66(3) . 20_566
O25 Zn1 Zn2 O1 -101.7(8) . 20_566
O5 Zn1 Zn2 O1 41.3(10) 19_666 19_666
O19 Zn1 Zn2 O1 -178.8(5) . 19_666
O25 Zn1 Zn2 O1 145.4(18) . 19_666
O10 Zn1 Zn2 O25 145.7(18) 20_566 .
O5 Zn1 Zn2 O25 -104.1(9) 19_666 .
O19 Zn1 Zn2 O25 35.8(18) . .
Zn3 Zn1 Zn2 O25 178.85(17) . .
O5 Zn1 Zn2 Zn1 -139.3(9) 19_666 2_665
O19 Zn1 Zn3 O20 12.9(11) . .
O25 Zn1 Zn3 O20 -57(20) . .
O5 Zn1 Zn3 O6 7.6(14) 19_666 19_666
O25 Zn1 Zn3 O6 178(100) . 19_666
Zn2 Zn1 Zn3 O6 94.2(6) . 19_666
O25 Zn1 Zn3 O9 64(19) . 20_566
O10 Zn1 Zn3 O8 1(5) 20_566 .
O5 Zn1 Zn3 O8 -119(7) 19_666 .
O19 Zn1 Zn3 O8 121(10) . .
O25 Zn1 Zn3 O8 51(21) . .
Zn1 Zn1 Zn3 O8 -154(5) 3_565 .
Zn1 Zn1 Zn3 O8 86(10) 2_665 .
Zn2 Zn1 Zn3 O8 -33(7) . .
O2 Zn4 O2 C7 105(8) 2_655 .
O2 Zn4 O2 C7 10.3(13) 3_665 .
O22 Zn5 O3 C14 37.0(19) 12_565 .
O11 Zn5 O3 C14 166.6(15) 12_565 .
O27 Zn5 O3 C14 -77.6(16) . .
O20 Zn3 O8 C28 -44(6) . .
O6 Zn3 O8 C28 83.1(10) 19_666 .
O9 Zn3 O8 C28 -163(3) 20_566 .
Zn1 Zn3 O8 C28 -151(6) . .
O10 Zn1 O19 C49 56.2(17) 20_566 .
O5 Zn1 O19 C49 -72.6(12) 19_666 .
O25 Zn1 O19 C49 170.6(11) . .
Zn1 Zn1 O19 C49 -153.7(14) 3_565 .
Zn1 Zn1 O19 C49 150.8(13) 2_665 .
Zn2 Zn1 O19 C49 150.2(12) . .
Zn3 Zn1 O19 C49 -8.7(11) . .
O6 Zn3 O20 C49 36(5) 19_666 .
O9 Zn3 O20 C49 -87(4) 20_566 .
O8 Zn3 O20 C49 158(2) . .
Zn1 Zn3 O20 C49 -26(2) . .
P1 O13 C1 C6 -100(3) . .
P1 O13 C1 C2 79(2) . .
C6 C1 C2 C3 1.4(14) . .
O13 C1 C2 C3 -177.7(13) . .
C1 C2 C3 C4 -0.6(13) . .
C2 C3 C4 C5 -4.1(16) . .
C2 C3 C4 C7 175.4(11) . .
C3 C4 C5 C6 7.9(19) . .
C7 C4 C5 C6 -171.6(13) . .
O13 C1 C6 C5 -178.5(15) . .
C2 C1 C6 C5 2.4(19) . .
C4 C5 C6 C1 -7(3) . .
Zn2 O1 C7 O2 10.3(15) 19_666 .
Zn2 O1 C7 C4 -172.0(8) 19_666 .
Zn4 O2 C7 O1 -70(3) . .
Zn4 O2 C7 C4 113(3) . .
C5 C4 C7 O1 167(3) . .
C3 C4 C7 O1 -12(3) . .
C5 C4 C7 O2 -15(3) . .
C3 C4 C7 O2 165(3) . .
P1 O14 C8 C9 -68.8(16) . .
P1 O14 C8 C13 109.5(15) . .
C13 C8 C9 C10 0.9(17) . .
O14 C8 C9 C10 179.1(16) . .
C8 C9 C10 C11 2.7(17) . .
C9 C10 C11 C12 -8(3) . .
C9 C10 C11 C14 -179.4(15) . .
C10 C11 C12 C13 9(3) . .
C14 C11 C12 C13 -179.2(19) . .
C9 C8 C13 C12 0(3) . .
O14 C8 C13 C12 -178(2) . .
C11 C12 C13 C8 -5(3) . .
Zn5 O3 C14 O4 6(2) . .
Zn5 O3 C14 C11 -173.8(13) . .
C12 C11 C14 O3 174.6(16) . .
C10 C11 C14 O3 -13(2) . .
C12 C11 C14 O4 -5(2) . .
C10 C11 C14 O4 167(2) . .
P2 O15 C15 C16 84(7) . .
P2 O15 C15 C20 -96(6) . .
C20 C15 C16 C17 -0.5(13) . .
O15 C15 C16 C17 -180(100) . .
C15 C16 C17 C18 1.3(12) . .
C16 C17 C18 C19 -2.8(15) . .
C16 C17 C18 C21 175.4(11) . .
C17 C18 C19 C20 3.2(18) . .
C21 C18 C19 C20 -175.0(12) . .
C16 C15 C20 C19 0.8(17) . .
O15 C15 C20 C19 180(100) . .
C18 C19 C20 C15 -2.1(18) . .
Zn1 O5 C21 O6 11(2) 19_666 .
Zn1 O5 C21 C18 -169.2(17) 19_666 .
Zn3 O6 C21 O5 -25(4) 19_666 .
Zn3 O6 C21 C18 155(3) 19_666 .
C19 C18 C21 O5 175.0(13) . .
C17 C18 C21 O5 -3.3(14) . .
C19 C18 C21 O6 -5.2(15) . .
C17 C18 C21 O6 176.5(10) . .
P2 O16 C22 C27 89.3(16) . .
P2 O16 C22 C23 -88.1(15) . .
C27 C22 C23 C24 -0.5(16) . .
O16 C22 C23 C24 176.8(14) . .
C22 C23 C24 C25 -0.4(16) . .
C23 C24 C25 C26 3(2) . .
C23 C24 C25 C28 -178.1(14) . .
C24 C25 C26 C27 -5(3) . .
C28 C25 C26 C27 176.2(14) . .
O16 C22 C27 C26 -178.6(14) . .
C23 C22 C27 C26 -2(2) . .
C25 C26 C27 C22 4(2) . .
Zn3 O8 C28 O7 0.6(18) . .
Zn3 O8 C28 C25 -178.2(10) . .
C24 C25 C28 O8 -177.0(17) . .
C26 C25 C28 O8 1.5(19) . .
C24 C25 C28 O7 4(2) . .
C26 C25 C28 O7 -177(2) . .
P3 O17 C29 C30 -100(6) . .
P3 O17 C29 C34 81(6) . .
C34 C29 C30 C31 -0.5(13) . .
O17 C29 C30 C31 -179(100) . .
C29 C30 C31 C32 -3.1(13) . .
C30 C31 C32 C33 4.8(16) . .
C30 C31 C32 C35 -172.5(9) . .
C31 C32 C33 C34 -2.9(16) . .
C35 C32 C33 C34 174.5(10) . .
C30 C29 C34 C33 2.4(17) . .
O17 C29 C34 C33 -179(100) . .
C32 C33 C34 C29 -0.8(17) . .
Zn3 O9 C35 O10 -35.0(18) 21_656 .
Zn3 O9 C35 C32 148.9(14) 21_656 .
Zn1 O10 C35 O9 7.8(17) 21_656 .
Zn1 O10 C35 C32 -176.1(8) 21_656 .
C31 C32 C35 O9 -11.4(16) . .
C33 C32 C35 O9 171.0(12) . .
C31 C32 C35 O10 172.7(12) . .
C33 C32 C35 O10 -4.8(15) . .
P3 O18 C36 C41 -119(5) . .
P3 O18 C36 C37 66(6) . .
C41 C36 C37 C38 1.8(16) . .
O18 C36 C37 C38 176.9(15) . .
C36 C37 C38 C39 1.1(16) . .
C37 C38 C39 C40 0(2) . .
C37 C38 C39 C42 178.8(14) . .
C38 C39 C40 C41 -4(3) . .
C42 C39 C40 C41 177.4(17) . .
O18 C36 C41 C40 179.1(18) . .
C37 C36 C41 C40 -6(3) . .
C39 C40 C41 C36 7(3) . .
Zn5 O11 C42 O12 14(2) 12_565 .
Zn5 O11 C42 C39 -170.5(12) 12_565 .
C38 C39 C42 O12 10(3) . .
C40 C39 C42 O12 -172(2) . .
C38 C39 C42 O11 -166(3) . .
C40 C39 C42 O11 12(3) . .
C48 C43 C44 C45 2.0(15) . .
O23 C43 C44 C45 -179.7(12) . .
C43 C44 C45 C46 0.6(13) . .
C44 C45 C46 C47 0.5(18) . .
C44 C45 C46 C49 -178.9(11) . .
C45 C46 C47 C48 -4(2) . .
C49 C46 C47 C48 175.5(13) . .
O23 C43 C48 C47 176.0(16) . .
C44 C43 C48 C47 -6(2) . .
C46 C47 C48 C43 6(2) . .
Zn1 O19 C49 O20 -1.9(18) . .
Zn1 O19 C49 C46 171.0(10) . .
Zn3 O20 C49 O19 29(2) . .
Zn3 O20 C49 C46 -144(2) . .
C45 C46 C49 O19 9.8(16) . .
C47 C46 C49 O19 -169.6(12) . .
C45 C46 C49 O20 -177.6(13) . .
C47 C46 C49 O20 3.1(16) . .
C55 C50 C51 C52 -1.8(16) . .
O24 C50 C51 C52 180(100) . .
C50 C51 C52 C53 -1.1(16) . .
C51 C52 C53 C54 3(2) . .
C51 C52 C53 C56 -175.4(15) . .
C52 C53 C54 C55 -2(3) . .
C56 C53 C54 C55 176.2(18) . .
C53 C54 C55 C50 0(3) . .
C51 C50 C55 C54 3(3) . .
O24 C50 C55 C54 -179(100) . .
Zn5 O22 C56 O21 4(2) 12_565 .
Zn5 O22 C56 C53 -178.1(11) 12_565 .
C52 C53 C56 O22 5(2) . .
C54 C53 C56 O22 -174(2) . .
C52 C53 C56 O21 -178.2(18) . .
C54 C53 C56 O21 3(2) . .
C8 O14 P1 N3 -167(2) . .
C8 O14 P1 O13 -50(3) . .
C8 O14 P1 N2 60(8) . .
C1 O13 P1 O14 162(3) . .
C1 O13 P1 N3 -85(3) . .
C1 O13 P1 N2 48(7) . .
C22 O16 P2 N3 41(7) . .
C22 O16 P2 N1 170.3(16) . .
C22 O16 P2 O15 -75(5) . .
P3 N1 P2 N3 9.1(14) . .
P3 N1 P2 O16 -116(3) . .
P3 N1 P2 O15 139(5) . .
C15 O15 P2 N3 38.5(14) . .
C15 O15 P2 O16 153.7(11) . .
C15 O15 P2 N1 -95.6(18) . .
O14 P1 N2 P3 112(7) . .
N3 P1 N2 P3 -13.6(18) . .
O13 P1 N2 P3 -143.1(14) . .
P1 N2 P3 O17 140.2(12) . .
P1 N2 P3 N1 10.0(18) . .
C29 O17 P3 N1 46(8) . .
C29 O17 P3 O18 154.9(15) . .
P2 N1 P3 N2 -7.9(12) . .
P2 N1 P3 O17 -140.2(12) . .
P2 N1 P3 O18 121.2(9) . .
C36 O18 P3 N2 50(4) . .
C36 O18 P3 O17 166(2) . .
C36 O18 P3 N1 -83.7(16) . .
O16 P2 N3 P1 110.1(19) . .
N1 P2 N3 P1 -13(2) . .
O15 P2 N3 P1 -143(6) . .
O14 P1 N3 P2 -112.6(13) . .
O13 P1 N3 P2 141.4(10) . .
N2 P1 N3 P2 15.3(14) . .
O24 P4 N4 P4 -108(7) . 3_565
N4 P4 N4 P4 21(5) 2_665 3_565
O23 P4 N4 P4 149(4) . 3_565
C48 C43 O23 P4 100(2) . .
C44 C43 O23 P4 -78(2) . .
N4 P4 O23 C43 -45.5(18) . .
O24 P4 O23 C43 -160(3) . .
N4 P4 O23 C43 91(6) 2_665 .
C55 C50 O24 P4 77(8) . .
C51 C50 O24 P4 -105(7) . .
N4 P4 O24 C50 -39(3) . .
N4 P4 O24 C50 -178(2) 2_665 .
O23 P4 O24 C50 70.4(18) . .
O19 Zn1 O25 Zn1 -34.6(7) . 2_665
O10 Zn1 O25 Zn1 -154.9(6) 20_566 3_565
Zn3 Zn1 O25 Zn1 155(95) . 3_565
Zn3 Zn1 O25 Zn2 -85(19) . .
O1 Zn2 O25 Zn1 85.6(3) 21_556 2_665
O1 Zn2 O25 Zn1 -34.4(3) 20_566 2_665
O1 Zn2 O25 Zn1 -154.4(3) 19_666 2_665
O1 Zn2 O25 Zn1 -34.4(3) 21_556 3_565
O1 Zn2 O25 Zn1 -154.4(3) 20_566 3_565
O1 Zn2 O25 Zn1 85.6(3) 19_666 3_565
O1 Zn2 O25 Zn1 -154.4(3) 21_556 .
O1 Zn2 O25 Zn1 85.6(3) 20_566 .
O1 Zn2 O25 Zn1 -34.4(3) 19_666 .
