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#$Date: 2019-11-24 22:25:12 +0200 (Sun, 24 Nov 2019) $
#$Revision: 239601 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/68/4516862.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_4516862
loop_
_publ_author_name
'Haldar, Shobhraj'
'Vijaykumar, Gonela'
'Carrella, Luca'
'Batha, Steven'
'Musie, Ghezai T.'
'Bera, Manindranath'
_publ_section_title
;
 Inorganic Phosphate and Arsenate within New Tetranuclear Copper and Zinc
 Complexes: Syntheses, Crystal Structures, Magnetic, Electrochemical, and
 Thermal Studies.
;
_journal_issue                   4
_journal_name_full               'ACS omega'
_journal_page_first              1535
_journal_page_last               1549
_journal_paper_doi               10.1021/acsomega.7b00189
_journal_volume                  2
_journal_year                    2017
_chemical_formula_moiety
'C62 H58 N8 O14 P Zn4, Na, 11.5(H2 O), 3 (H3 O), 3(Cl)'
_chemical_formula_sum            'C62 H90 Cl3 N8 Na O28.5 P Zn4'
_chemical_formula_weight         1825.20
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-I 2ya'
_space_group_name_H-M_alt        'I 1 2/a 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_audit_creation_date             2016-10-24
_audit_creation_method
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_cell_angle_alpha                90
_cell_angle_beta                 108.074(6)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   32.2177(15)
_cell_length_b                   13.3500(6)
_cell_length_c                   39.051(2)
_cell_measurement_reflns_used    25329
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      66.627
_cell_measurement_theta_min      3.518
_cell_volume                     15967.3(14)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0450
_diffrn_reflns_av_unetI/netI     0.0554
_diffrn_reflns_Laue_measured_fraction_full 0.964
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            25329
_diffrn_reflns_point_group_measured_fraction_full 0.964
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         66.627
_diffrn_reflns_theta_min         3.518
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    3.236
_exptl_crystal_colour            'light yellow'
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.519
_exptl_crystal_description       block
_exptl_crystal_F_000             7544
_exptl_crystal_size_max          0.151
_exptl_crystal_size_mid          0.124
_exptl_crystal_size_min          0.099
_refine_diff_density_max         1.142
_refine_diff_density_min         -0.963
_refine_diff_density_rms         0.142
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1144
_refine_ls_number_reflns         13918
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.1141
_refine_ls_R_factor_gt           0.0977
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[σ²(Fo²)+(0.1872P)²+78.3109P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2794
_refine_ls_wR_factor_ref         0.2989
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10940
_reflns_number_total             13918
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ao7b00189_si_004.cif
_cod_data_source_block           cluster
_cod_original_cell_volume        15967.3(15)
_cod_original_formula_sum        'C62 H90 Cl3 N8 Na O28.50 P Zn4'
_cod_database_code               4516862
_shelxl_version_number           2012-9
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(Cl3C) \\sim Ueq, Uanis(Cl3B) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(O20) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O28) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3. Others
 Fixed Sof: Zn4(0.75) Zn3(0.75) O6(0.75) H32(0.75) H32A(0.25) O17A(0.5)
 Na1A(0.5) O12(0.75) O13(0.75) Cl2(0.75) O15(0.8) O22(0.6) O18(0.5) Na1(0.5)
 Cl1(0.6) Cl1A(0.4) Cl3(0.5) O28A(0.5) O27A(0.5) Cl3A(0.25) O24A(0.5) O24(0.5)
 Cl2A(0.25) O27(0.5) O18A(0.5) O21A(0.25) O17(0.5) O20(0.5) Zn3A(0.25)
 Zn4A(0.25) O13A(0.25) O12A(0.25) Cl3B(0.125) Cl3C(0.125) O6A(0.25) O15A(0.2)
 O22A(0.4) O28(0.25)
4.a Ternary CH refined with riding coordinates:
 C32(H32), C32(H32A), C1(H1)
4.b Secondary CH2 refined with riding coordinates:
 C34(H34A,H34B), C55(H55A,H55B), C4(H4A,H4B), C3(H3A,H3B), C33(H33A,H33B),
 C2(H2A,H2B), C49(H49A,H49B), C10(H10A,H10B), C35(H35A,H35B), C18(H18A,H18B),
 C41(H41A,H41B), C24(H24A,H24B)
4.c Aromatic/amide H refined with riding coordinates:
 C46(H46), C43(H43), C57(H57), C15(H15), C60(H60), C51(H51), C14(H14),
 C12(H12), C6(H6), C58(H58), C9(H9), C8(H8), C13(H13), C59(H59), C23(H23),
 C52(H52), C44(H44), C7(H7), C26(H26), C28(H28), C29(H29), C20(H20), C27(H27),
 C54(H54), C53(H53), C22(H22), C21(H21), C45(H45), C37(H37), C40(H40), C39(H39),
  C38(H38)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.36707(2) 0.30821(6) 0.69308(2) 0.0387(2) Uani 1 1 d . . . . .
Zn4 Zn 0.54385(10) 0.4424(2) 0.67581(6) 0.0358(5) Uani 0.75 1 d . . P A 1
Zn2 Zn 0.41145(3) 0.20272(9) 0.62784(2) 0.0567(3) Uani 1 1 d . . . . .
Zn3 Zn 0.44199(9) 0.5698(2) 0.63071(7) 0.0425(5) Uani 0.75 1 d . . P A 1
P1 P 0.45449(5) 0.38001(17) 0.68169(4) 0.0537(5) Uani 1 1 d . . . . .
O14 O 0.50277(14) 0.4001(4) 0.70198(12) 0.0532(12) Uani 1 1 d . . . . .
N5 N 0.45135(18) 0.6463(5) 0.58257(15) 0.0493(13) Uani 1 1 d . . . . .
N3 N 0.33865(18) 0.4491(4) 0.68626(15) 0.0460(12) Uani 1 1 d . . . . .
O1 O 0.36528(14) 0.2251(4) 0.65043(12) 0.0499(11) Uani 1 1 d . . . . .
O11 O 0.43184(14) 0.3382(4) 0.70803(12) 0.0516(12) Uani 1 1 d . . . . .
O3 O 0.37967(18) 0.2407(5) 0.79938(14) 0.0682(16) Uani 1 1 d . . . . .
N2 N 0.35844(19) 0.1087(5) 0.58987(16) 0.0545(14) Uani 1 1 d . . . . .
N8 N 0.55907(18) 0.2957(5) 0.66080(16) 0.0518(14) Uani 1 1 d . . . . .
O6 O 0.5062(3) 0.5449(7) 0.6414(2) 0.0429(19) Uani 0.75 1 d . . P A 1
N4 N 0.4146(2) 0.2471(5) 0.57756(16) 0.0564(15) Uani 1 1 d . . . . .
O10 O 0.63628(18) 0.4987(4) 0.77174(16) 0.0679(14) Uani 1 1 d . . . . .
O9 O 0.58450(14) 0.5026(4) 0.71906(14) 0.0561(12) Uani 1 1 d . . . . .
O2 O 0.37702(14) 0.2471(3) 0.74248(12) 0.0428(10) Uani 1 1 d . . . . .
N7 N 0.3898(2) 0.5111(5) 0.58789(18) 0.0600(16) Uani 1 1 d . . . . .
C46 C 0.3224(3) 0.7557(7) 0.5944(2) 0.067(2) Uani 1 1 d . . . . .
H46 H 0.3111 0.7565 0.6142 0.080 Uiso 1 1 calc R . . . .
C43 C 0.3560(2) 0.7604(6) 0.5377(2) 0.0612(19) Uani 1 1 d . . . . .
H43 H 0.3671 0.7656 0.5179 0.073 Uiso 1 1 calc R . . . .
C11 C 0.2858(2) 0.3273(5) 0.73329(17) 0.0420(13) Uani 1 1 d . . . . .
C16 C 0.32397(19) 0.3398(4) 0.76142(15) 0.0362(12) Uani 1 1 d . . . . .
C57 C 0.6819(2) 0.3485(6) 0.6808(2) 0.0569(18) Uani 1 1 d . . . . .
H57 H 0.6880 0.3594 0.6588 0.068 Uiso 1 1 calc R . . . .
N1 N 0.29651(17) 0.2702(5) 0.67589(14) 0.0470(13) Uani 1 1 d . . . . .
O7 O 0.42930(18) 0.6981(6) 0.65023(15) 0.0804(19) Uani 1 1 d . . . . .
N6 N 0.58887(18) 0.4774(5) 0.64331(16) 0.0518(14) Uani 1 1 d . . . . .
C61 C 0.64788(19) 0.4017(5) 0.7243(2) 0.0475(15) Uani 1 1 d . . . . .
C32 C 0.5197(2) 0.5559(6) 0.6097(2) 0.0585(19) Uani 1 1 d . . . . .
H32 H 0.5101 0.4968 0.5935 0.070 Uiso 0.75 1 calc R . P A 1
H32A H 0.5144 0.5082 0.5891 0.070 Uiso 0.25 1 calc R . P A 2
O4 O 0.4456(2) 0.0781(6) 0.64857(16) 0.085(2) Uani 1 1 d . . . . .
O5 O 0.4873(3) -0.0556(6) 0.6521(2) 0.099(2) Uani 1 1 d . . . . .
C62 C 0.6211(2) 0.4735(6) 0.7398(2) 0.0554(18) Uani 1 1 d . . . . .
C15 C 0.3276(2) 0.4171(5) 0.78645(18) 0.0454(14) Uani 1 1 d . . . . .
H15 H 0.3537 0.4238 0.8060 0.055 Uiso 1 1 calc R . . . .
C34 C 0.5691(2) 0.5652(6) 0.6216(2) 0.0584(19) Uani 1 1 d . . . . .
H34A H 0.5792 0.5698 0.6002 0.070 Uiso 1 1 calc R . . . .
H34B H 0.5781 0.6270 0.6360 0.070 Uiso 1 1 calc R . . . .
O17A O 0.5288(3) 0.7186(8) 0.6889(2) 0.053(2) Uani 0.5 1 d . . P A 1
C60 C 0.6672(2) 0.3207(5) 0.7455(2) 0.0498(16) Uani 1 1 d . . . . .
H60 H 0.6628 0.3113 0.7682 0.060 Uiso 1 1 calc R . . . .
Na1A Na 0.5495(2) 0.6787(7) 0.74784(17) 0.082(2) Uani 0.5 1 d . . P A 1
C56 C 0.6546(2) 0.4150(6) 0.6910(2) 0.0534(17) Uani 1 1 d . . . . .
C55 C 0.6342(2) 0.5013(6) 0.6668(2) 0.0573(19) Uani 1 1 d . . . . .
H55A H 0.6333 0.5606 0.6818 0.069 Uiso 1 1 calc R . . . .
H55B H 0.6526 0.5183 0.6515 0.069 Uiso 1 1 calc R . . . .
C4 C 0.2726(2) 0.3558(6) 0.65511(18) 0.0517(16) Uani 1 1 d . . . . .
H4A H 0.2429 0.3585 0.6575 0.062 Uiso 1 1 calc R . . . .
H4B H 0.2696 0.3466 0.6293 0.062 Uiso 1 1 calc R . . . .
C3 C 0.3247(2) 0.1001(6) 0.6090(2) 0.0567(18) Uani 1 1 d . . . . .
H3A H 0.3322 0.0438 0.6262 0.068 Uiso 1 1 calc R . . . .
H3B H 0.2958 0.0863 0.5912 0.068 Uiso 1 1 calc R . . . .
C1 C 0.3227(2) 0.1961(6) 0.62875(18) 0.0519(17) Uani 1 1 d . . . . .
H1 H 0.3101 0.2502 0.6108 0.062 Uiso 1 1 calc R . . . .
C50 C 0.5831(2) 0.2901(6) 0.6382(2) 0.0543(17) Uani 1 1 d . . . . .
C51 C 0.6001(2) 0.2014(6) 0.6311(2) 0.063(2) Uani 1 1 d . . . . .
H51 H 0.6164 0.1991 0.6146 0.075 Uiso 1 1 calc R . . . .
O8 O 0.3890(2) 0.8224(6) 0.65914(19) 0.091(2) Uani 1 1 d . . . . .
C33 C 0.4991(2) 0.6513(6) 0.5906(2) 0.0559(18) Uani 1 1 d . . . . .
H33A H 0.5107 0.7100 0.6061 0.067 Uiso 1 1 calc R . . . .
H33B H 0.5064 0.6590 0.5679 0.067 Uiso 1 1 calc R . . . .
C14 C 0.2936(3) 0.4839(5) 0.7830(2) 0.0536(17) Uani 1 1 d . . . . .
H14 H 0.2967 0.5377 0.7996 0.064 Uiso 1 1 calc R . . . .
C12 C 0.2513(2) 0.3929(6) 0.73109(18) 0.0504(16) Uani 1 1 d . . . . .
H12 H 0.2243 0.3839 0.7126 0.061 Uiso 1 1 calc R . . . .
C5 C 0.2962(2) 0.4531(6) 0.66835(18) 0.0507(16) Uani 1 1 d . . . . .
C2 C 0.2935(2) 0.1811(6) 0.65262(19) 0.0519(17) Uani 1 1 d . . . . .
H2A H 0.2629 0.1712 0.6374 0.062 Uiso 1 1 calc R . . . .
H2B H 0.3029 0.1207 0.6678 0.062 Uiso 1 1 calc R . . . .
O23 O 0.3127(3) 0.9049(7) 0.66668(18) 0.100(2) Uani 1 1 d . . . . .
C17 C 0.3630(2) 0.2704(5) 0.76852(17) 0.0408(13) Uani 1 1 d . . . . .
O12 O 0.4503(2) 0.3215(7) 0.6502(2) 0.0621(19) Uani 0.75 1 d . . P B 1
C49 C 0.5884(2) 0.3888(7) 0.6201(2) 0.063(2) Uani 1 1 d . . . . .
H49A H 0.6160 0.3869 0.6140 0.076 Uiso 1 1 calc R . . . .
H49B H 0.5641 0.3959 0.5973 0.076 Uiso 1 1 calc R . . . .
C6 C 0.2745(3) 0.5445(7) 0.6614(3) 0.072(2) Uani 1 1 d . . . . .
H6 H 0.2441 0.5471 0.6490 0.086 Uiso 1 1 calc R . . . .
O13 O 0.4350(2) 0.4903(6) 0.67133(16) 0.0477(14) Uani 0.75 1 d . . P A 1
C10 C 0.2801(2) 0.2438(6) 0.70625(18) 0.0482(16) Uani 1 1 d . . . . .
H10A H 0.2957 0.1836 0.7186 0.058 Uiso 1 1 calc R . . . .
H10B H 0.2487 0.2267 0.6966 0.058 Uiso 1 1 calc R . . . .
O16 O 0.6660(2) 0.7417(6) 0.64770(18) 0.0878(19) Uani 1 1 d . . . . .
C58 C 0.7005(2) 0.2670(6) 0.7020(2) 0.0550(17) Uani 1 1 d . . . . .
H58 H 0.7183 0.2211 0.6943 0.066 Uiso 1 1 calc R . . . .
C9 C 0.3606(3) 0.5351(6) 0.6975(2) 0.0589(19) Uani 1 1 d . . . . .
H9 H 0.3909 0.5318 0.7104 0.071 Uiso 1 1 calc R . . . .
C35 C 0.4301(3) 0.5845(6) 0.5509(2) 0.0593(18) Uani 1 1 d . . . . .
H35A H 0.4511 0.5340 0.5478 0.071 Uiso 1 1 calc R . . . .
H35B H 0.4214 0.6274 0.5292 0.071 Uiso 1 1 calc R . . . .
C8 C 0.3409(3) 0.6267(6) 0.6910(3) 0.077(3) Uani 1 1 d . . . . .
H8 H 0.3571 0.6862 0.6991 0.092 Uiso 1 1 calc R . . . .
C36 C 0.3897(3) 0.5312(6) 0.5547(2) 0.0627(19) Uani 1 1 d . . . . .
C13 C 0.2555(2) 0.4717(6) 0.75562(19) 0.0544(18) Uani 1 1 d . . . . .
H13 H 0.2319 0.5166 0.7532 0.065 Uiso 1 1 calc R . . . .
C59 C 0.6928(2) 0.2536(6) 0.7342(2) 0.0570(18) Uani 1 1 d . . . . .
H59 H 0.7052 0.1977 0.7488 0.068 Uiso 1 1 calc R . . . .
C18 C 0.3437(3) 0.1697(7) 0.55671(19) 0.0604(19) Uani 1 1 d . . . . .
H18A H 0.3224 0.2203 0.5593 0.072 Uiso 1 1 calc R . . . .
H18B H 0.3289 0.1260 0.5361 0.072 Uiso 1 1 calc R . . . .
C41 C 0.4332(2) 0.7495(6) 0.5775(2) 0.0535(16) Uani 1 1 d . . . . .
H41A H 0.4387 0.7797 0.5562 0.064 Uiso 1 1 calc R . . . .
H41B H 0.4487 0.7904 0.5987 0.064 Uiso 1 1 calc R . . . .
C23 C 0.4485(3) 0.2963(6) 0.5733(2) 0.064(2) Uani 1 1 d . . . . .
H23 H 0.4715 0.3157 0.5940 0.077 Uiso 1 1 calc R . . . .
C52 C 0.5935(3) 0.1155(7) 0.6483(3) 0.071(2) Uani 1 1 d . . . . .
H52 H 0.6054 0.0536 0.6438 0.085 Uiso 1 1 calc R . . . .
C44 C 0.3108(3) 0.7598(9) 0.5314(3) 0.081(3) Uani 1 1 d . . . . .
H44 H 0.2913 0.7611 0.5075 0.097 Uiso 1 1 calc R . . . .
C19 C 0.3813(3) 0.2214(6) 0.5494(2) 0.0616(19) Uani 1 1 d . . . . .
C42 C 0.3848(2) 0.7534(6) 0.5724(2) 0.0551(17) Uani 1 1 d . . . . .
C7 C 0.2979(4) 0.6312(8) 0.6729(3) 0.087(3) Uani 1 1 d . . . . .
H7 H 0.2836 0.6943 0.6681 0.105 Uiso 1 1 calc R . . . .
C26 C 0.4067(4) 0.0012(7) 0.5341(3) 0.076(2) Uani 1 1 d . . . . .
H26 H 0.3782 -0.0051 0.5174 0.091 Uiso 1 1 calc R . . . .
C24 C 0.3725(3) 0.0068(6) 0.5835(2) 0.065(2) Uani 1 1 d . . . . .
H24A H 0.3482 -0.0273 0.5653 0.078 Uiso 1 1 calc R . . . .
H24B H 0.3794 -0.0322 0.6061 0.078 Uiso 1 1 calc R . . . .
O19 O 0.4781(3) 0.8371(7) 0.6918(2) 0.122(3) Uani 1 1 d . . . . .
C28 C 0.4836(4) 0.0056(9) 0.5451(3) 0.094(3) Uani 1 1 d . . . . .
H28 H 0.5080 0.0053 0.5362 0.113 Uiso 1 1 calc R . . . .
C29 C 0.4907(3) 0.0084(8) 0.5816(3) 0.083(3) Uani 1 1 d . . . . .
H29 H 0.5195 0.0090 0.5980 0.099 Uiso 1 1 calc R . . . .
C20 C 0.3809(3) 0.2476(8) 0.5146(2) 0.081(3) Uani 1 1 d . . . . .
H20 H 0.3564 0.2323 0.4943 0.097 Uiso 1 1 calc R . . . .
C27 C 0.4430(4) 0.0031(9) 0.5215(3) 0.091(3) Uani 1 1 d . . . . .
H27 H 0.4390 0.0028 0.4964 0.109 Uiso 1 1 calc R . . . .
C54 C 0.5527(2) 0.2107(7) 0.6771(2) 0.064(2) Uani 1 1 d . . . . .
H54 H 0.5355 0.2142 0.6929 0.077 Uiso 1 1 calc R . . . .
C53 C 0.5694(2) 0.1202(7) 0.6723(3) 0.072(2) Uani 1 1 d . . . . .
H53 H 0.5648 0.0624 0.6849 0.086 Uiso 1 1 calc R . . . .
C25 C 0.4123(3) 0.0082(6) 0.5704(2) 0.064(2) Uani 1 1 d . . . . .
C30 C 0.4540(3) 0.0105(7) 0.5944(3) 0.073(2) Uani 1 1 d . . . . .
C47 C 0.3684(2) 0.7526(6) 0.6009(2) 0.0575(18) Uani 1 1 d . . . . .
C22 C 0.4514(4) 0.3204(7) 0.5395(3) 0.079(3) Uani 1 1 d . . . . .
H22 H 0.4766 0.3526 0.5370 0.095 Uiso 1 1 calc R . . . .
C21 C 0.4170(4) 0.2962(9) 0.5103(3) 0.091(3) Uani 1 1 d . . . . .
H21 H 0.4177 0.3128 0.4868 0.109 Uiso 1 1 calc R . . . .
C45 C 0.2947(3) 0.7575(8) 0.5602(3) 0.078(3) Uani 1 1 d . . . . .
H45 H 0.2640 0.7572 0.5561 0.094 Uiso 1 1 calc R . . . .
C37 C 0.3562(3) 0.5030(9) 0.5251(3) 0.084(3) Uani 1 1 d . . . . .
H37 H 0.3570 0.5173 0.5015 0.101 Uiso 1 1 calc R . . . .
C40 C 0.3550(3) 0.4628(7) 0.5925(3) 0.069(2) Uani 1 1 d . . . . .
H40 H 0.3553 0.4471 0.6163 0.083 Uiso 1 1 calc R . . . .
C31 C 0.4634(3) 0.0100(8) 0.6345(3) 0.077(2) Uani 1 1 d . . . . .
C39 C 0.3203(3) 0.4365(8) 0.5651(3) 0.085(3) Uani 1 1 d . . . . .
H39 H 0.2956 0.4068 0.5695 0.101 Uiso 1 1 calc R . . . .
C38 C 0.3207(3) 0.4525(9) 0.5306(3) 0.096(3) Uani 1 1 d . . . . .
H38 H 0.2973 0.4298 0.5107 0.115 Uiso 1 1 calc R . . . .
C48 C 0.3972(3) 0.7573(8) 0.6395(2) 0.069(2) Uani 1 1 d . . . . .
Cl2 Cl 0.22556(17) 0.2551(6) 0.55245(13) 0.0862(14) Uani 0.75 1 d . . P C 1
O25 O 0.2236(4) -0.1059(11) 0.6347(3) 0.163(5) Uani 1 1 d . . . . .
O15 O 0.4683(4) 0.6170(10) 0.7349(3) 0.119(4) Uani 0.8 1 d . . P . .
O22 O 0.4744(4) 0.4537(11) 0.7691(3) 0.080(3) Uani 0.6 1 d . . P D 1
O18 O 0.5624(4) 0.5443(12) 0.7851(3) 0.071(3) Uani 0.5 1 d . . P A 1
Na1 Na 0.4465(5) 0.8126(9) 0.7314(3) 0.138(4) Uani 0.5 1 d . . P A 2
Cl1 Cl 0.54582(19) 0.4943(3) 0.53096(10) 0.0803(11) Uani 0.6 1 d . . P E 1
Cl1A Cl 0.5137(3) 0.5005(7) 0.5112(2) 0.095(3) Uani 0.4 1 d . . P F 2
Cl3 Cl 0.1870(3) 0.7041(10) 0.5812(3) 0.075(2) Uani 0.5 1 d . . P G 1
O29 O 0.4072(7) 0.7019(15) 0.4626(4) 0.223(8) Uani 1 1 d . . . . .
O30 O 0.5573(7) 0.2276(14) 0.5288(5) 0.229(8) Uani 1 1 d . . . . .
O28A O 0.6615(5) 0.6252(19) 0.5832(4) 0.125(7) Uani 0.5 1 d . . P . .
O26 O 0.5612(5) 0.859(2) 0.6430(4) 0.258(10) Uani 1 1 d . . . . .
O27A O 0.6735(7) 0.9277(14) 0.6160(5) 0.151(10) Uani 0.5 1 d . . P . .
Cl3A Cl 0.1777(7) 0.738(2) 0.5732(5) 0.115(10) Uani 0.25 1 d . . P H 2
O24A O 0.2196(6) -0.0043(19) 0.5326(6) 0.160(11) Uani 0.5 1 d . . P I 2
O24 O 0.2039(7) 0.0721(17) 0.5408(6) 0.141(8) Uani 0.5 1 d . . P J 1
Cl2A Cl 0.2353(6) 0.2586(15) 0.5349(8) 0.167(12) Uani 0.25 1 d . . P K 2
O27 O 0.5887(6) 0.899(3) 0.5815(8) 0.234(19) Uani 0.5 1 d . . P . .
O18A O 0.5781(7) 0.474(3) 0.8041(5) 0.163(10) Uani 0.5 1 d . . P L 2
O21A O 0.5432(8) 0.648(3) 0.7788(6) 0.094(10) Uani 0.25 1 d . . P M 2
O17 O 0.5702(4) 0.6393(11) 0.7355(4) 0.097(5) Uani 0.5 1 d . . P N 2
O20 O 0.4678(9) 0.936(3) 0.7448(8) 0.191(11) Uani 0.5 1 d . U P O 1
Zn3A Zn 0.4369(3) 0.5375(6) 0.6224(2) 0.056(2) Uani 0.25 1 d . . P A 2
Zn4A Zn 0.5395(4) 0.4190(8) 0.6660(2) 0.052(2) Uani 0.25 1 d . . P A 2
O13A O 0.4274(6) 0.4340(15) 0.6543(7) 0.054(5) Uani 0.25 1 d . . P A 2
O12A O 0.4591(6) 0.2583(16) 0.6599(6) 0.050(5) Uani 0.25 1 d . . P B 2
Cl3B Cl 0.1870(10) 0.572(3) 0.5858(9) 0.133(10) Uani 0.125 1 d . U P P 3
Cl3C Cl 0.2212(12) 0.546(3) 0.5675(10) 0.148(11) Uani 0.125 1 d . U P Q 4
O6A O 0.5010(10) 0.5052(17) 0.6320(9) 0.048(7) Uani 0.25 1 d . . P A 2
O15A O 0.4886(19) 0.572(4) 0.707(2) 0.18(3) Uani 0.2 1 d . . P A 1
O22A O 0.4508(7) 0.4211(13) 0.7712(4) 0.087(6) Uani 0.4 1 d . . P R 2
O28 O 0.1654(11) 0.895(3) 0.5626(9) 0.119(11) Uani 0.25 1 d . U P S 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.1353 0.1239 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 '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
N3 Zn1 N1 78.4(2) . .
N3 Zn1 Na1A 140.3(2) . 4_546
O1 Zn1 N3 120.1(2) . .
O1 Zn1 O11 96.40(19) . .
O1 Zn1 O2 121.9(2) . .
O1 Zn1 N1 81.85(19) . .
O1 Zn1 Na1A 95.5(2) . 4_546
O11 Zn1 N3 103.4(2) . .
O11 Zn1 O2 87.75(18) . .
O11 Zn1 N1 178.0(2) . .
O11 Zn1 Na1A 51.8(2) . 4_546
O2 Zn1 N3 114.87(19) . .
O2 Zn1 N1 92.33(19) . .
O2 Zn1 Na1A 45.18(16) . 4_546
N1 Zn1 Na1A 127.3(2) . 4_546
O14 Zn4 N8 97.3(3) . .
O14 Zn4 O6 100.1(3) . .
O14 Zn4 N6 174.9(3) . .
N8 Zn4 N6 78.1(2) . .
O6 Zn4 N8 125.0(3) . .
O6 Zn4 N6 81.0(3) . .
O9 Zn4 O14 92.7(2) . .
O9 Zn4 N8 117.5(3) . .
O9 Zn4 O6 113.3(3) . .
O9 Zn4 N6 91.5(2) . .
O1 Zn2 N2 81.76(19) . .
O1 Zn2 N4 130.0(2) . .
O1 Zn2 O4 109.8(2) . .
O1 Zn2 O12 97.9(2) . .
N4 Zn2 N2 77.7(2) . .
O4 Zn2 N2 90.7(3) . .
O4 Zn2 N4 115.6(3) . .
O4 Zn2 O12 106.4(4) . .
O12 Zn2 N2 161.7(3) . .
O12 Zn2 N4 88.9(3) . .
O12A Zn2 O1 102.9(6) . .
O12A Zn2 N2 170.3(7) . .
O12A Zn2 N4 104.9(8) . .
O12A Zn2 O4 79.6(7) . .
O6 Zn3 N5 81.4(3) . .
O6 Zn3 N7 128.1(3) . .
N7 Zn3 N5 77.7(2) . .
O7 Zn3 N5 91.5(3) . .
O7 Zn3 O6 112.8(3) . .
O7 Zn3 N7 114.7(3) . .
O7 Zn3 O13 93.9(3) . .
O13 Zn3 N5 174.6(3) . .
O13 Zn3 O6 96.4(3) . .
O13 Zn3 N7 100.0(3) . .
O14 P1 O11 109.5(2) . .
O14 P1 O13 103.0(3) . .
O14 P1 O12A 100.2(6) . .
O11 P1 O13 105.8(3) . .
O11 P1 O12A 96.3(7) . .
O12 P1 O14 110.6(4) . .
O12 P1 O11 116.1(4) . .
O12 P1 O13 111.1(5) . .
O13A P1 O14 128.0(8) . .
O13A P1 O11 113.3(8) . .
O13A P1 O12A 103.1(14) . .
P1 O14 Zn4 120.9(3) . .
P1 O14 Na1 126.9(4) . 4_546
P1 O14 Zn4A 111.4(3) . .
Zn4A O14 Na1 111.9(5) . 4_546
C33 N5 Zn3 104.2(4) . .
C33 N5 C41 109.2(6) . .
C33 N5 Zn3A 107.7(5) . .
C35 N5 Zn3 107.5(4) . .
C35 N5 C33 112.9(6) . .
C35 N5 C41 110.3(6) . .
C35 N5 Zn3A 94.3(5) . .
C41 N5 Zn3 112.7(4) . .
C41 N5 Zn3A 121.8(5) . .
C5 N3 Zn1 116.5(5) . .
C5 N3 C9 119.2(7) . .
C9 N3 Zn1 124.3(5) . .
Zn2 O1 Zn1 129.0(2) . .
C1 O1 Zn1 115.0(4) . .
C1 O1 Zn2 114.4(4) . .
Zn1 O11 Na1A 91.9(2) . 4_546
P1 O11 Zn1 122.6(3) . .
P1 O11 Na1A 131.1(3) . 4_546
C3 N2 Zn2 103.5(4) . .
C18 N2 Zn2 103.9(5) . .
C18 N2 C3 113.1(6) . .
C18 N2 C24 113.0(6) . .
C24 N2 Zn2 114.3(5) . .
C24 N2 C3 108.7(6) . .
C50 N8 Zn4 117.2(5) . .
C50 N8 C54 117.8(7) . .
C50 N8 Zn4A 114.7(6) . .
C54 N8 Zn4 124.0(5) . .
C54 N8 Zn4A 127.5(7) . .
Zn3 O6 Zn4 127.8(5) . .
C32 O6 Zn4 111.1(6) . .
C32 O6 Zn3 111.8(6) . .
C23 N4 Zn2 122.8(6) . .
C19 N4 Zn2 116.5(5) . .
C19 N4 C23 120.7(7) . .
Zn4 O9 Na1A 114.8(2) . .
C62 O9 Zn4 131.8(5) . .
C62 O9 Na1A 112.8(5) . .
C62 O9 Zn4A 127.0(6) . .
Zn1 O2 Na1A 99.0(2) . 4_546
C17 O2 Zn1 132.2(4) . .
C17 O2 Na1A 122.2(4) . 4_546
C36 N7 Zn3 117.2(6) . .
C36 N7 C40 118.6(8) . .
C36 N7 Zn3A 117.2(7) . .
C40 N7 Zn3 123.9(6) . .
C40 N7 Zn3A 123.9(7) . .
C47 C46 H46 119.8 . .
C45 C46 H46 119.8 . .
C45 C46 C47 120.4(8) . .
C44 C43 H43 119.5 . .
C42 C43 H43 119.5 . .
C42 C43 C44 120.9(8) . .
C16 C11 C12 117.9(6) . .
C16 C11 C10 122.2(6) . .
C12 C11 C10 119.8(6) . .
C11 C16 C15 120.3(6) . .
C11 C16 C17 123.6(6) . .
C15 C16 C17 115.9(6) . .
C56 C57 H57 119.3 . .
C58 C57 H57 119.3 . .
C58 C57 C56 121.5(7) . .
C4 N1 Zn1 107.5(4) . .
C4 N1 C2 111.2(5) . .
C4 N1 C10 111.6(5) . .
C2 N1 Zn1 103.6(4) . .
C2 N1 C10 109.1(5) . .
C10 N1 Zn1 113.5(4) . .
C48 O7 Zn3 131.4(6) . .
C48 O7 Zn3A 125.6(6) . .
C34 N6 Zn4 104.5(4) . .
C34 N6 C55 110.4(6) . .
C34 N6 C49 111.2(6) . .
C34 N6 Zn4A 106.1(5) . .
C55 N6 Zn4 112.0(4) . .
C55 N6 Zn4A 121.3(5) . .
C49 N6 Zn4 107.0(4) . .
C49 N6 C55 111.5(6) . .
C49 N6 Zn4A 95.3(4) . .
C60 C61 C62 117.1(6) . .
C60 C61 C56 119.0(7) . .
C56 C61 C62 123.9(6) . .
O6 C32 H32 110.3 . .
O6 C32 C34 108.2(7) . .
O6 C32 C33 107.9(7) . .
C34 C32 H32 110.3 . .
C34 C32 H32A 101.4 . .
C34 C32 C33 109.8(6) . .
C33 C32 H32 110.3 . .
C33 C32 H32A 101.4 . .
O6A C32 H32A 101.4 . .
O6A C32 C34 118.0(14) . .
O6A C32 C33 120.8(13) . .
C31 O4 Zn2 132.1(6) . .
O10 C62 O9 124.0(8) . .
O10 C62 C61 118.3(6) . .
O9 C62 C61 117.7(7) . .
C16 C15 H15 119.6 . .
C14 C15 C16 120.9(6) . .
C14 C15 H15 119.6 . .
N6 C34 C32 109.7(6) . .
N6 C34 H34A 109.7 . .
N6 C34 H34B 109.7 . .
C32 C34 H34A 109.7 . .
C32 C34 H34B 109.7 . .
H34A C34 H34B 108.2 . .
C61 C60 H60 119.4 . .
C59 C60 C61 121.1(7) . .
C59 C60 H60 119.4 . .
O11 Na1A Zn1 36.28(11) 4_556 4_556
O11 Na1A O9 146.4(3) 4_556 .
O9 Na1A Zn1 110.1(2) . 4_556
O2 Na1A Zn1 35.83(13) 4_556 4_556
O2 Na1A O11 66.0(2) 4_556 4_556
O2 Na1A O9 83.8(3) 4_556 .
O2 Na1A O15 175.9(5) 4_556 .
O2 Na1A O15A 145(2) 4_556 .
O17A Na1A Zn1 119.5(4) . 4_556
O17A Na1A O11 113.9(5) . 4_556
O17A Na1A O9 80.1(4) . .
O17A Na1A O2 92.0(3) . 4_556
O17A Na1A O15 85.2(4) . .
O17A Na1A O18 141.3(6) . .
O17A Na1A O15A 64.0(13) . .
O15 Na1A Zn1 144.4(3) . 4_556
O15 Na1A O11 112.5(4) . 4_556
O15 Na1A O9 98.6(4) . .
O18 Na1A Zn1 91.0(3) . 4_556
O18 Na1A O11 104.8(4) . 4_556
O18 Na1A O9 66.5(4) . .
O18 Na1A O2 102.7(4) . 4_556
O18 Na1A O15 81.3(5) . .
O18 Na1A O15A 85.0(10) . .
O15A Na1A Zn1 176.0(9) . 4_556
O15A Na1A O11 145.5(18) . 4_556
O15A Na1A O9 68.0(17) . .
O15A Na1A O15 35.2(19) . .
C57 C56 C55 119.9(7) . .
C61 C56 C57 118.8(7) . .
C61 C56 C55 121.3(7) . .
N6 C55 C56 111.9(6) . .
N6 C55 H55A 109.2 . .
N6 C55 H55B 109.2 . .
C56 C55 H55A 109.2 . .
C56 C55 H55B 109.2 . .
H55A C55 H55B 107.9 . .
N1 C4 H4A 109.5 . .
N1 C4 H4B 109.5 . .
N1 C4 C5 110.9(5) . .
H4A C4 H4B 108.0 . .
C5 C4 H4A 109.5 . .
C5 C4 H4B 109.5 . .
N2 C3 H3A 109.7 . .
N2 C3 H3B 109.7 . .
N2 C3 C1 110.0(6) . .
H3A C3 H3B 108.2 . .
C1 C3 H3A 109.7 . .
C1 C3 H3B 109.7 . .
O1 C1 C3 110.5(6) . .
O1 C1 H1 109.1 . .
O1 C1 C2 109.5(5) . .
C3 C1 H1 109.1 . .
C3 C1 C2 109.5(6) . .
C2 C1 H1 109.1 . .
N8 C50 C51 121.9(7) . .
N8 C50 C49 115.2(7) . .
C51 C50 C49 122.8(7) . .
C50 C51 H51 120.4 . .
C50 C51 C52 119.3(8) . .
C52 C51 H51 120.4 . .
C48 O8 Na1 112.5(7) . .
N5 C33 C32 109.5(6) . .
N5 C33 H33A 109.8 . .
N5 C33 H33B 109.8 . .
C32 C33 H33A 109.8 . .
C32 C33 H33B 109.8 . .
H33A C33 H33B 108.2 . .
C15 C14 H14 120.3 . .
C13 C14 C15 119.4(7) . .
C13 C14 H14 120.3 . .
C11 C12 H12 119.3 . .
C11 C12 C13 121.4(6) . .
C13 C12 H12 119.3 . .
N3 C5 C4 118.0(6) . .
N3 C5 C6 120.7(8) . .
C6 C5 C4 121.3(7) . .
N1 C2 C1 109.5(6) . .
N1 C2 H2A 109.8 . .
N1 C2 H2B 109.8 . .
C1 C2 H2A 109.8 . .
C1 C2 H2B 109.8 . .
H2A C2 H2B 108.2 . .
O3 C17 O2 123.5(6) . .
O3 C17 C16 117.7(5) . .
O2 C17 C16 118.9(5) . .
P1 O12 Zn2 132.6(4) . .
N6 C49 C50 112.5(6) . .
N6 C49 H49A 109.1 . .
N6 C49 H49B 109.1 . .
C50 C49 H49A 109.1 . .
C50 C49 H49B 109.1 . .
H49A C49 H49B 107.8 . .
C5 C6 H6 120.5 . .
C7 C6 C5 118.9(9) . .
C7 C6 H6 120.5 . .
P1 O13 Zn3 124.2(4) . .
C11 C10 H10A 109.0 . .
C11 C10 H10B 109.0 . .
N1 C10 C11 112.8(5) . .
N1 C10 H10A 109.0 . .
N1 C10 H10B 109.0 . .
H10A C10 H10B 107.8 . .
C57 C58 H58 120.5 . .
C59 C58 C57 119.0(7) . .
C59 C58 H58 120.5 . .
N3 C9 H9 118.9 . .
N3 C9 C8 122.3(8) . .
C8 C9 H9 118.9 . .
N5 C35 H35A 109.3 . .
N5 C35 H35B 109.3 . .
N5 C35 C36 111.7(6) . .
H35A C35 H35B 107.9 . .
C36 C35 H35A 109.3 . .
C36 C35 H35B 109.3 . .
C9 C8 H8 120.6 . .
C7 C8 C9 118.8(9) . .
C7 C8 H8 120.6 . .
N7 C36 C35 116.5(7) . .
N7 C36 C37 122.2(9) . .
C37 C36 C35 121.2(8) . .
C14 C13 C12 120.0(6) . .
C14 C13 H13 120.0 . .
C12 C13 H13 120.0 . .
C60 C59 H59 119.8 . .
C58 C59 C60 120.5(7) . .
C58 C59 H59 119.8 . .
N2 C18 H18A 109.4 . .
N2 C18 H18B 109.4 . .
N2 C18 C19 111.2(6) . .
H18A C18 H18B 108.0 . .
C19 C18 H18A 109.4 . .
C19 C18 H18B 109.4 . .
N5 C41 H41A 108.9 . .
N5 C41 H41B 108.9 . .
N5 C41 C42 113.4(6) . .
H41A C41 H41B 107.7 . .
C42 C41 H41A 108.9 . .
C42 C41 H41B 108.9 . .
N4 C23 H23 118.8 . .
N4 C23 C22 122.4(9) . .
C22 C23 H23 118.8 . .
C51 C52 H52 120.2 . .
C51 C52 C53 119.6(9) . .
C53 C52 H52 120.2 . .
C43 C44 H44 120.2 . .
C45 C44 C43 119.5(8) . .
C45 C44 H44 120.2 . .
N4 C19 C18 117.2(7) . .
N4 C19 C20 120.3(8) . .
C20 C19 C18 122.4(8) . .
C43 C42 C41 118.8(7) . .
C47 C42 C43 118.9(7) . .
C47 C42 C41 122.3(7) . .
C6 C7 H7 119.9 . .
C8 C7 C6 120.1(9) . .
C8 C7 H7 119.9 . .
C27 C26 H26 119.9 . .
C25 C26 H26 119.9 . .
C25 C26 C27 120.2(10) . .
N2 C24 H24A 109.1 . .
N2 C24 H24B 109.1 . .
N2 C24 C25 112.4(7) . .
H24A C24 H24B 107.9 . .
C25 C24 H24A 109.1 . .
C25 C24 H24B 109.1 . .
C29 C28 H28 119.3 . .
C27 C28 H28 119.3 . .
C27 C28 C29 121.5(9) . .
C28 C29 H29 120.7 . .
C28 C29 C30 118.6(10) . .
C30 C29 H29 120.7 . .
C19 C20 H20 120.7 . .
C21 C20 C19 118.6(10) . .
C21 C20 H20 120.7 . .
C26 C27 H27 119.9 . .
C28 C27 C26 120.1(10) . .
C28 C27 H27 119.9 . .
N8 C54 H54 118.0 . .
N8 C54 C53 124.0(8) . .
C53 C54 H54 118.0 . .
C52 C53 H53 121.3 . .
C54 C53 C52 117.4(8) . .
C54 C53 H53 121.3 . .
C26 C25 C24 119.5(9) . .
C26 C25 C30 119.2(8) . .
C30 C25 C24 121.3(8) . .
C29 C30 C31 116.6(9) . .
C25 C30 C29 120.2(9) . .
C25 C30 C31 123.1(8) . .
C46 C47 C48 117.4(7) . .
C42 C47 C46 119.8(7) . .
C42 C47 C48 122.6(7) . .
C23 C22 H22 121.1 . .
C21 C22 C23 117.7(9) . .
C21 C22 H22 121.1 . .
C20 C21 H21 119.9 . .
C22 C21 C20 120.2(9) . .
C22 C21 H21 119.9 . .
C46 C45 C44 120.2(8) . .
C46 C45 H45 119.9 . .
C44 C45 H45 119.9 . .
C36 C37 H37 120.9 . .
C36 C37 C38 118.1(10) . .
C38 C37 H37 120.9 . .
N7 C40 H40 118.6 . .
C39 C40 N7 122.7(9) . .
C39 C40 H40 118.6 . .
O4 C31 C30 118.2(9) . .
O5 C31 O4 123.3(9) . .
O5 C31 C30 118.6(9) . .
C40 C39 H39 120.4 . .
C40 C39 C38 119.3(10) . .
C38 C39 H39 120.4 . .
C37 C38 H38 120.6 . .
C39 C38 C37 118.9(10) . .
C39 C38 H38 120.6 . .
O7 C48 C47 119.6(8) . .
O8 C48 O7 122.7(9) . .
O8 C48 C47 117.7(8) . .
O15A O15 Na1A 70(2) . .
O8 Na1 O14 153.2(5) . 4_556
O19 Na1 O14 109.3(6) . 4_556
O19 Na1 O8 65.4(4) . .
O19 Na1 O15 90.5(6) . .
O19 Na1 O18A 67.2(6) . 4_556
O15 Na1 O14 106.4(5) . 4_556
O15 Na1 O8 100.0(4) . .
O18A Na1 O14 98.3(7) 4_556 4_556
O18A Na1 O8 55.1(7) 4_556 .
O18A Na1 O15 151.2(7) 4_556 .
N5 Zn3A O7 79.3(3) . .
N7 Zn3A N5 85.0(5) . .
N7 Zn3A O7 109.9(6) . .
N7 Zn3A O13A 94.6(9) . .
N7 Zn3A O6A 134.4(11) . .
O13A Zn3A N5 174.1(9) . .
O13A Zn3A O7 106.3(9) . .
O13A Zn3A O6A 94.8(11) . .
O6A Zn3A N5 81.4(9) . .
O6A Zn3A O7 109.9(8) . .
O14 Zn4A O9 78.1(3) . .
O14 Zn4A N6 159.7(4) . .
N8 Zn4A O14 104.7(6) . .
N8 Zn4A O9 112.6(6) . .
N8 Zn4A N6 87.5(5) . .
N8 Zn4A O6A 130.8(10) . .
N6 Zn4A O9 82.2(4) . .
O6A Zn4A O14 99.0(12) . .
O6A Zn4A O9 114.2(9) . .
O6A Zn4A N6 84.4(11) . .
P1 O13A Zn3A 133.6(12) . .
Zn2 O12A P1 120.2(10) . .
C32 O6A Zn3A 113.5(18) . .
C32 O6A Zn4A 114.7(19) . .
Zn4A O6A Zn3A 131.8(18) . .
O15 O15A Na1A 75(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 N3 2.072(6) .
Zn1 O1 1.987(4) .
Zn1 O11 2.025(4) .
Zn1 O2 2.026(4) .
Zn1 N1 2.220(5) .
Zn1 Na1A 3.419(6) 4_546
Zn4 O14 1.988(5) .
Zn4 N8 2.144(7) .
Zn4 O6 2.035(10) .
Zn4 O9 1.960(6) .
Zn4 N6 2.253(6) .
Zn2 O1 1.974(4) .
Zn2 N2 2.262(6) .
Zn2 N4 2.083(6) .
Zn2 O4 2.020(7) .
Zn2 O12 2.041(8) .
Zn2 O12A 1.812(19) .
Zn3 N5 2.241(6) .
Zn3 O6 2.008(10) .
Zn3 N7 2.120(7) .
Zn3 O7 1.970(8) .
Zn3 O13 1.978(7) .
P1 O14 1.534(4) .
P1 O11 1.539(5) .
P1 O12 1.426(8) .
P1 O13 1.603(8) .
P1 O13A 1.36(2) .
P1 O12A 1.86(2) .
O14 Na1 2.858(14) 4_546
O14 Zn4A 2.116(12) .
N5 C33 1.473(9) .
N5 C35 1.466(10) .
N5 C41 1.486(9) .
N5 Zn3A 2.280(11) .
N3 C5 1.331(9) .
N3 C9 1.349(10) .
O1 C1 1.424(8) .
O11 Na1A 2.688(10) 4_546
O3 C17 1.223(8) .
N2 C3 1.500(8) .
N2 C18 1.477(10) .
N2 C24 1.480(11) .
N8 C50 1.344(9) .
N8 C54 1.347(10) .
N8 Zn4A 1.796(13) .
O6 C32 1.438(12) .
N4 C23 1.328(10) .
N4 C19 1.321(11) .
O10 C62 1.236(10) .
O9 C62 1.267(8) .
O9 Na1A 2.975(11) .
O9 Zn4A 2.404(9) .
O2 Na1A 2.456(7) 4_546
O2 C17 1.273(7) .
N7 C36 1.322(10) .
N7 C40 1.353(11) .
N7 Zn3A 1.726(11) .
C46 H46 0.9500 .
C46 C47 1.424(11) .
C46 C45 1.358(13) .
C43 H43 0.9500 .
C43 C44 1.401(12) .
C43 C42 1.387(11) .
C11 C16 1.381(9) .
C11 C12 1.399(9) .
C11 C10 1.508(9) .
C16 C15 1.400(9) .
C16 C17 1.516(8) .
C57 H57 0.9500 .
C57 C56 1.393(11) .
C57 C58 1.386(11) .
N1 C4 1.473(9) .
N1 C2 1.482(9) .
N1 C10 1.484(8) .
O7 C48 1.265(11) .
O7 Zn3A 2.451(11) .
N6 C34 1.472(9) .
N6 C55 1.499(9) .
N6 C49 1.487(11) .
N6 Zn4A 2.189(13) .
C61 C62 1.534(11) .
C61 C60 1.388(10) .
C61 C56 1.392(10) .
C32 H32 1.0000 .
C32 H32A 1.0000 .
C32 C34 1.518(10) .
C32 C33 1.520(10) .
C32 O6A 1.38(3) .
O4 C31 1.286(11) .
O5 C31 1.228(12) .
C15 H15 0.9500 .
C15 C14 1.388(10) .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
O17A Na1A 2.253(12) .
C60 H60 0.9500 .
C60 C59 1.380(11) .
Na1A Zn1 3.419(6) 4_556
Na1A O11 2.688(10) 4_556
Na1A O2 2.455(7) 4_556
Na1A O15 2.636(15) .
Na1A O18 2.266(19) .
Na1A O15A 2.56(7) .
C56 C55 1.506(10) .
C55 H55A 0.9900 .
C55 H55B 0.9900 .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C4 C5 1.513(11) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C3 C1 1.508(10) .
C1 H1 1.0000 .
C1 C2 1.529(9) .
C50 C51 1.369(12) .
C50 C49 1.531(11) .
C51 H51 0.9500 .
C51 C52 1.378(11) .
O8 C48 1.242(11) .
O8 Na1 2.858(16) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C14 H14 0.9500 .
C14 C13 1.364(11) .
C12 H12 0.9500 .
C12 C13 1.400(11) .
C5 C6 1.389(11) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C49 H49A 0.9900 .
C49 H49B 0.9900 .
C6 H6 0.9500 .
C6 C7 1.378(15) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C58 H58 0.9500 .
C58 C59 1.364(11) .
C9 H9 0.9500 .
C9 C8 1.367(12) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C35 C36 1.529(12) .
C8 H8 0.9500 .
C8 C7 1.347(15) .
C36 C37 1.367(12) .
C13 H13 0.9500 .
C59 H59 0.9500 .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C18 C19 1.496(12) .
C41 H41A 0.9900 .
C41 H41B 0.9900 .
C41 C42 1.511(10) .
C23 H23 0.9500 .
C23 C22 1.386(12) .
C52 H52 0.9500 .
C52 C53 1.391(13) .
C44 H44 0.9500 .
C44 C45 1.375(14) .
C19 C20 1.401(11) .
C42 C47 1.371(11) .
C7 H7 0.9500 .
C26 H26 0.9500 .
C26 C27 1.401(13) .
C26 C25 1.379(12) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C24 C25 1.518(10) .
O19 Na1 2.126(15) .
C28 H28 0.9500 .
C28 C29 1.374(15) .
C28 C27 1.346(16) .
C29 H29 0.9500 .
C29 C30 1.417(11) .
C20 H20 0.9500 .
C20 C21 1.387(15) .
C27 H27 0.9500 .
C54 H54 0.9500 .
C54 C53 1.358(13) .
C53 H53 0.9500 .
C25 C30 1.381(13) .
C30 C31 1.498(13) .
C47 C48 1.506(12) .
C22 H22 0.9500 .
C22 C21 1.361(16) .
C21 H21 0.9500 .
C45 H45 0.9500 .
C37 H37 0.9500 .
C37 C38 1.400(16) .
C40 H40 0.9500 .
C40 C39 1.332(14) .
C39 H39 0.9500 .
C39 C38 1.369(16) .
C38 H38 0.9500 .
O15 Na1 2.697(17) .
O15 O15A 1.57(9) .
Na1 O14 2.858(14) 4_556
Na1 O18A 2.55(3) 4_556
Cl1A Cl1A 1.032(18) 5_666
O29 O30 1.44(2) 5_666
O30 O29 1.44(2) 5_666
O18A Na1 2.55(3) 4_546
Zn3A O13A 1.947(19) .
Zn3A O6A 2.03(3) .
Zn4A O6A 1.90(3) .
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
Zn1 N3 C5 C4 0.7(7) . .
Zn1 N3 C5 C6 -178.0(5) . .
Zn1 N3 C9 C8 177.1(6) . .
Zn1 O1 C1 C3 -153.7(5) . .
Zn1 O1 C1 C2 -33.1(8) . .
Zn1 O2 C17 O3 -162.5(6) . .
Zn1 O2 C17 C16 16.5(9) . .
Zn1 N1 C4 C5 -30.8(6) . .
Zn1 N1 C2 C1 -41.2(6) . .
Zn1 N1 C10 C11 59.6(7) . .
Zn4 N8 C50 C51 170.0(6) . .
Zn4 N8 C50 C49 -12.1(8) . .
Zn4 N8 C54 C53 -167.4(7) . .
Zn4 N8 Zn4A O14 -74(3) . .
Zn4 N8 Zn4A O9 9(2) . .
Zn4 N8 Zn4A N6 90(3) . .
Zn4 N8 Zn4A O6A 170(4) . .
Zn4 O6 C32 C34 -46.2(8) . .
Zn4 O6 C32 C33 -164.9(6) . .
Zn4 O6 C32 O6A 71(3) . .
Zn4 O9 C62 O10 -154.3(6) . .
Zn4 O9 C62 C61 24.9(9) . .
Zn4 N6 C34 C32 -37.2(7) . .
Zn4 N6 C55 C56 60.7(7) . .
Zn4 N6 C49 C50 -33.6(6) . .
Zn2 O1 C1 C3 39.3(7) . .
Zn2 O1 C1 C2 159.9(5) . .
Zn2 N2 C3 C1 35.6(7) . .
Zn2 N2 C18 C19 38.4(7) . .
Zn2 N2 C24 C25 -54.7(8) . .
Zn2 N4 C23 C22 176.2(7) . .
Zn2 N4 C19 C18 4.0(10) . .
Zn2 N4 C19 C20 -179.6(7) . .
Zn2 O4 C31 O5 171.6(8) . .
Zn2 O4 C31 C30 -8.9(14) . .
Zn3 N5 C33 C32 37.5(7) . .
Zn3 N5 C35 C36 32.9(7) . .
Zn3 N5 C41 C42 -59.6(7) . .
Zn3 O6 C32 C34 164.3(6) . .
Zn3 O6 C32 C33 45.6(8) . .
Zn3 O6 C32 O6A -79(3) . .
Zn3 N7 C36 C35 6.7(9) . .
Zn3 N7 C36 C37 -175.5(7) . .
Zn3 N7 C40 C39 172.3(8) . .
Zn3 N7 Zn3A N5 -70(2) . .
Zn3 N7 Zn3A O7 6.3(18) . .
Zn3 N7 Zn3A O13A 115(2) . .
Zn3 N7 Zn3A O6A -143(3) . .
Zn3 O7 C48 O8 162.2(7) . .
Zn3 O7 C48 C47 -20.4(13) . .
O14 P1 O11 Zn1 176.7(3) . .
O14 P1 O11 Na1A -55.6(5) . 4_546
O14 P1 O12 Zn2 137.4(6) . .
O14 P1 O13 Zn3 78.9(5) . .
O14 P1 O13A Zn3A 14(3) . .
O14 P1 O12A Zn2 -173.5(12) . .
O14 Zn4A O6A C32 162.6(16) . .
O14 Zn4A O6A Zn3A -17(2) . .
N5 C35 C36 N7 -28.0(10) . .
N5 C35 C36 C37 154.2(8) . .
N5 C41 C42 C43 -98.5(8) . .
N5 C41 C42 C47 83.1(9) . .
N3 C5 C6 C7 1.0(12) . .
N3 C9 C8 C7 0.4(12) . .
O1 Zn2 O12A P1 -42.0(14) . .
O1 C1 C2 N1 50.8(8) . .
O11 P1 O14 Zn4 174.1(3) . .
O11 P1 O14 Na1 21.6(6) . 4_546
O11 P1 O14 Zn4A 164.3(4) . .
O11 P1 O12 Zn2 12.0(10) . .
O11 P1 O13 Zn3 -166.3(4) . .
O11 P1 O13A Zn3A 157.2(18) . .
O11 P1 O12A Zn2 75.4(14) . .
N2 C3 C1 O1 -50.7(8) . .
N2 C3 C1 C2 -171.4(6) . .
N2 C18 C19 N4 -31.1(10) . .
N2 C18 C19 C20 152.5(8) . .
N2 C24 C25 C26 -97.2(9) . .
N2 C24 C25 C30 86.6(10) . .
N8 C50 C51 C52 -1.6(12) . .
N8 C50 C49 N6 31.9(9) . .
N8 C54 C53 C52 -1.8(13) . .
N8 Zn4A O6A C32 -79(2) . .
N8 Zn4A O6A Zn3A 101(2) . .
O6 C32 C34 N6 56.8(9) . .
O6 C32 C33 N5 -56.3(9) . .
O6 C32 O6A Zn3A 87(3) . .
O6 C32 O6A Zn4A -93(4) . .
N4 Zn2 O12A P1 96.0(13) . .
N4 C23 C22 C21 3.2(14) . .
N4 C19 C20 C21 3.1(14) . .
O9 Zn4A O6A C32 82(2) . .
O9 Zn4A O6A Zn3A -98.0(18) . .
N7 C36 C37 C38 0.9(15) . .
N7 C40 C39 C38 4.4(16) . .
C46 C47 C48 O7 135.2(9) . .
C46 C47 C48 O8 -47.3(12) . .
C43 C44 C45 C46 0.0(17) . .
C43 C42 C47 C46 2.1(12) . .
C43 C42 C47 C48 -172.8(8) . .
C11 C16 C15 C14 -1.7(9) . .
C11 C16 C17 O3 -132.5(7) . .
C11 C16 C17 O2 48.5(8) . .
C11 C12 C13 C14 -1.9(11) . .
C16 C11 C12 C13 2.7(10) . .
C16 C11 C10 N1 -86.4(8) . .
C16 C15 C14 C13 2.5(10) . .
C57 C56 C55 N6 96.1(7) . .
C57 C58 C59 C60 -0.5(11) . .
N1 C4 C5 N3 21.8(8) . .
N1 C4 C5 C6 -159.6(6) . .
N6 Zn4A O6A C32 2.8(17) . .
N6 Zn4A O6A Zn3A -177(2) . .
C61 C60 C59 C58 1.6(10) . .
C61 C56 C55 N6 -86.2(9) . .
O4 Zn2 O12A P1 -150.1(14) . .
C62 C61 C60 C59 -178.4(6) . .
C62 C61 C56 C57 175.7(6) . .
C62 C61 C56 C55 -2.1(10) . .
C15 C16 C17 O3 44.5(9) . .
C15 C16 C17 O2 -134.5(6) . .
C15 C14 C13 C12 -0.7(11) . .
C34 N6 C55 C56 176.7(6) . .
C34 N6 C49 C50 -147.1(6) . .
C34 C32 C33 N5 -174.0(7) . .
C34 C32 O6A Zn3A 160.4(11) . .
C34 C32 O6A Zn4A -19(2) . .
C60 C61 C62 O10 43.4(9) . .
C60 C61 C62 O9 -135.9(6) . .
C60 C61 C56 C57 -2.5(10) . .
C60 C61 C56 C55 179.7(6) . .
Na1A O9 C62 O10 15.8(9) . .
Na1A O9 C62 C61 -165.0(5) . .
Na1A O2 C17 O3 -17.3(10) 4_546 .
Na1A O2 C17 C16 161.6(5) 4_546 .
C56 C57 C58 C59 -2.1(11) . .
C56 C61 C62 O10 -134.8(7) . .
C56 C61 C62 O9 45.9(9) . .
C56 C61 C60 C59 0.0(10) . .
C55 N6 C34 C32 -157.7(7) . .
C55 N6 C49 C50 89.2(6) . .
C4 N1 C2 C1 74.0(7) . .
C4 N1 C10 C11 -62.1(7) . .
C4 C5 C6 C7 -177.6(7) . .
C3 N2 C18 C19 149.8(6) . .
C3 N2 C24 C25 -169.7(7) . .
C3 C1 C2 N1 172.0(6) . .
C50 N8 C54 C53 0.7(12) . .
C50 N8 Zn4A O14 179.0(5) . .
C50 N8 Zn4A O9 -97.9(7) . .
C50 N8 Zn4A N6 -17.4(6) . .
C50 N8 Zn4A O6A 62.9(16) . .
C50 C51 C52 C53 0.5(13) . .
C51 C50 C49 N6 -150.2(7) . .
C51 C52 C53 C54 1.2(13) . .
C33 N5 C35 C36 147.3(6) . .
C33 N5 C41 C42 -174.9(6) . .
C33 C32 C34 N6 174.3(7) . .
C33 C32 O6A Zn3A 21(2) . .
C33 C32 O6A Zn4A -158.9(11) . .
C12 C11 C16 C15 -0.9(9) . .
C12 C11 C16 C17 176.0(6) . .
C12 C11 C10 N1 96.1(7) . .
C5 N3 C9 C8 -0.4(11) . .
C5 C6 C7 C8 -1.0(13) . .
C2 N1 C4 C5 -143.5(5) . .
C2 N1 C10 C11 174.6(6) . .
C17 C16 C15 C14 -178.8(6) . .
O12 Zn2 O12A P1 40.1(9) . .
O12 P1 O14 Zn4 45.1(6) . .
O12 P1 O14 Na1 -107.4(6) . 4_546
O12 P1 O14 Zn4A 35.3(6) . .
O12 P1 O11 Zn1 -57.4(6) . .
O12 P1 O11 Na1A 70.4(6) . 4_546
O12 P1 O13 Zn3 -39.5(6) . .
O12 P1 O13A Zn3A -90(2) . .
O12 P1 O12A Zn2 -59.4(13) . .
C49 N6 C34 C32 77.9(7) . .
C49 N6 C55 C56 -59.2(8) . .
C49 C50 C51 C52 -179.4(8) . .
O13 P1 O14 Zn4 -73.7(4) . .
O13 P1 O14 Na1 133.8(5) . 4_546
O13 P1 O14 Zn4A -83.5(5) . .
O13 P1 O11 Zn1 66.3(4) . .
O13 P1 O11 Na1A -166.0(4) . 4_546
O13 P1 O12 Zn2 -108.8(8) . .
O13 P1 O13A Zn3A 71(2) . .
O13 P1 O12A Zn2 -48.6(19) . .
C10 C11 C16 C15 -178.5(6) . .
C10 C11 C16 C17 -1.6(9) . .
C10 C11 C12 C13 -179.7(6) . .
C10 N1 C4 C5 94.3(6) . .
C10 N1 C2 C1 -162.4(6) . .
C58 C57 C56 C61 3.6(11) . .
C58 C57 C56 C55 -178.6(7) . .
C9 N3 C5 C4 178.3(6) . .
C9 N3 C5 C6 -0.3(10) . .
C9 C8 C7 C6 0.3(13) . .
C35 N5 C33 C32 -78.8(8) . .
C35 N5 C41 C42 60.6(8) . .
C35 C36 C37 C38 178.6(9) . .
C36 N7 C40 C39 -1.4(13) . .
C36 N7 Zn3A N5 22.3(7) . .
C36 N7 Zn3A O7 99.0(7) . .
C36 N7 Zn3A O13A -151.8(9) . .
C36 N7 Zn3A O6A -50.5(15) . .
C36 C37 C38 C39 2.1(16) . .
C18 N2 C3 C1 -76.2(8) . .
C18 N2 C24 C25 63.9(9) . .
C18 C19 C20 C21 179.4(9) . .
C41 N5 C33 C32 158.1(6) . .
C41 N5 C35 C36 -90.3(7) . .
C41 C42 C47 C46 -179.5(7) . .
C41 C42 C47 C48 5.6(13) . .
C23 N4 C19 C18 -177.7(7) . .
C23 N4 C19 C20 -1.2(13) . .
C23 C22 C21 C20 -1.2(16) . .
C44 C43 C42 C41 177.2(8) . .
C44 C43 C42 C47 -4.3(13) . .
C19 N4 C23 C22 -2.1(13) . .
C19 C20 C21 C22 -1.9(16) . .
C42 C43 C44 C45 3.3(16) . .
C42 C47 C48 O7 -49.8(13) . .
C42 C47 C48 O8 127.7(9) . .
C26 C25 C30 C29 1.8(14) . .
C26 C25 C30 C31 -175.1(9) . .
C24 N2 C3 C1 157.5(7) . .
C24 N2 C18 C19 -86.1(8) . .
C24 C25 C30 C29 177.9(9) . .
C24 C25 C30 C31 1.1(14) . .
C28 C29 C30 C25 0.9(16) . .
C28 C29 C30 C31 178.0(10) . .
C29 C28 C27 C26 -1.4(19) . .
C29 C30 C31 O4 127.8(10) . .
C29 C30 C31 O5 -52.7(14) . .
C27 C26 C25 C24 179.5(9) . .
C27 C26 C25 C30 -4.3(14) . .
C27 C28 C29 C30 -1.1(18) . .
C54 N8 C50 C51 1.1(11) . .
C54 N8 C50 C49 179.0(7) . .
C54 N8 Zn4A O14 -1.7(9) . .
C54 N8 Zn4A O9 81.3(9) . .
C54 N8 Zn4A N6 161.8(7) . .
C54 N8 Zn4A O6A -117.8(15) . .
C25 C26 C27 C28 4.2(17) . .
C25 C30 C31 O4 -55.2(14) . .
C25 C30 C31 O5 124.3(11) . .
C47 C46 C45 C44 -2.2(16) . .
C45 C46 C47 C42 1.2(14) . .
C45 C46 C47 C48 176.3(9) . .
C40 N7 C36 C35 -179.1(7) . .
C40 N7 C36 C37 -1.3(13) . .
C40 N7 Zn3A N5 -164.3(7) . .
C40 N7 Zn3A O7 -87.6(8) . .
C40 N7 Zn3A O13A 21.6(11) . .
C40 N7 Zn3A O6A 122.9(14) . .
C40 C39 C38 C37 -4.7(17) . .
Na1 O8 C48 O7 -4.2(12) . .
Na1 O8 C48 C47 178.4(6) . .
Na1 O15 O15A Na1A 72.9(16) . .
Zn3A N5 C33 C32 23.9(8) . .
Zn3A N5 C35 C36 36.0(7) . .
Zn3A N5 C41 C42 -48.3(8) . .
Zn3A N7 C36 C35 -5.4(10) . .
Zn3A N7 C36 C37 172.4(8) . .
Zn3A N7 C40 C39 -174.7(9) . .
Zn3A O7 C48 O8 159.9(8) . .
Zn3A O7 C48 C47 -22.8(12) . .
Zn4A N8 C50 C51 -179.6(7) . .
Zn4A N8 C50 C49 -1.7(9) . .
Zn4A N8 C54 C53 -178.6(8) . .
Zn4A O9 C62 O10 -155.6(7) . .
Zn4A O9 C62 C61 23.6(9) . .
Zn4A N6 C34 C32 -24.5(8) . .
Zn4A N6 C55 C56 51.7(9) . .
Zn4A N6 C49 C50 -37.6(6) . .
O13A P1 O14 Zn4 -41.9(15) . .
O13A P1 O14 Na1 165.5(15) . 4_546
O13A P1 O14 Zn4A -51.8(15) . .
O13A P1 O11 Zn1 27.0(13) . .
O13A P1 O11 Na1A 154.8(13) . 4_546
O13A P1 O12 Zn2 -97.1(10) . .
O13A P1 O13 Zn3 -58.3(12) . .
O13A P1 O12A Zn2 -40.4(16) . .
O12A P1 O14 Zn4 73.7(8) . .
O12A P1 O14 Na1 -78.9(9) . 4_546
O12A P1 O14 Zn4A 63.8(9) . .
O12A P1 O11 Zn1 -80.2(7) . .
O12A P1 O11 Na1A 47.6(7) . 4_546
O12A P1 O12 Zn2 63.8(13) . .
O12A P1 O13 Zn3 -45.2(11) . .
O12A P1 O13A Zn3A -100(2) . .
O6A C32 C34 N6 30.5(16) . .
O6A C32 C33 N5 -31.4(18) . .
