#------------------------------------------------------------------------------
#$Date: 2019-11-28 19:20:22 +0200 (Thu, 28 Nov 2019) $
#$Revision: 244398 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/88/7238831.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_7238831
loop_
_publ_author_name
'Goswami, Pramod Kumar'
'Singh, Monika'
'Thaimattam, Ram'
'Ramanan, Arunachalam'
_publ_section_title
;
 Extending the supramolecular synthon concept in flexible
 polyaminocarboxylate based coordination polymers
;
_journal_issue                   45
_journal_name_full               CrystEngComm
_journal_page_first              9787
_journal_paper_doi               10.1039/c3ce41067f
_journal_volume                  15
_journal_year                    2013
_chemical_formula_moiety         'C30 H24 N12 Na2 O34 Zn5'
_chemical_formula_sum            'C30 H24 N12 Na2 O34 Zn5'
_chemical_formula_weight         1469.54
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'SHELXTL-NT2000 ver.6.12'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.7539(15)
_cell_length_b                   19.227(3)
_cell_length_c                   24.684(4)
_cell_measurement_reflns_used    5174
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.93
_cell_measurement_theta_min      2.27
_cell_volume                     4629.2(13)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0450
_diffrn_reflns_av_sigmaI/netI    0.0241
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            41603
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.65
_exptl_absorpt_coefficient_mu    2.699
_exptl_absorpt_correction_T_max  0.610
_exptl_absorpt_correction_T_min  0.363
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    2.109
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2928
_exptl_crystal_size_max          0.524
_exptl_crystal_size_mid          0.324
_exptl_crystal_size_min          0.184
_refine_diff_density_max         1.365
_refine_diff_density_min         -0.609
_refine_diff_density_rms         0.123
_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     380
_refine_ls_number_reflns         4077
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0504
_refine_ls_R_factor_gt           0.0448
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0750P)²+16.9444P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1266
_refine_ls_wR_factor_ref         0.1303
_reflns_number_gt                3635
_reflns_number_total             4077
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce41067f.txt
_cod_data_source_block           Solid4a
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Orthorhombic' was changed
to 'orthorhombic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_database_code               7238831
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, 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 0.79588(5) 0.17441(3) 0.62315(2) 0.02402(18) Uani 1 1 d .
Zn2 Zn 0.85151(5) 0.02613(3) 0.34539(2) 0.02495(19) Uani 1 1 d .
Zn3 Zn 0.56255(13) 0.01131(7) 0.49957(5) 0.0354(3) Uani 0.50 1 d P
Na1 Na 0.4665(2) 0.08284(10) 0.29477(8) 0.0349(5) Uani 1 1 d .
O1 O 0.7506(4) 0.03763(18) 0.41617(14) 0.0333(8) Uani 1 1 d .
O2 O 0.7740(4) 0.0369(2) 0.50530(16) 0.0544(12) Uani 1 1 d .
O3 O 1.0118(3) 0.04540(16) 0.29722(12) 0.0242(7) Uani 1 1 d .
O4 O 1.2378(3) 0.0473(2) 0.29528(14) 0.0361(8) Uani 1 1 d .
O5 O 0.7319(4) 0.11152(17) 0.31832(14) 0.0324(8) Uani 1 1 d .
O6 O 0.7421(4) -0.03297(17) 0.29267(14) 0.0325(8) Uani 1 1 d .
O7 O 0.9564(4) -0.06116(18) 0.37674(16) 0.0387(9) Uani 1 1 d .
O8 O 1.3622(3) 0.18473(18) 0.25570(15) 0.0346(8) Uani 1 1 d .
O9 O 0.8412(4) 0.29848(19) 0.53825(14) 0.0376(8) Uani 1 1 d .
O10 O 0.7007(3) 0.21075(18) 0.55936(13) 0.0311(7) Uani 1 1 d .
O11 O 0.9833(4) 0.16498(18) 0.59657(16) 0.0394(9) Uani 1 1 d .
O12 O 0.8598(4) 0.2359(2) 0.68014(15) 0.0402(9) Uani 1 1 d .
O13 O 0.6802(3) 0.09371(16) 0.63663(14) 0.0307(7) Uani 1 1 d .
O14 O 0.5081(3) 0.03003(16) 0.66468(15) 0.0331(8) Uani 1 1 d .
O15 O 0.4973(6) 0.1100(2) 0.52071(17) 0.0661(14) Uani 1 1 d .
O16 O 0.4562(7) 0.0243(2) 0.4346(2) 0.085(2) Uani 1 1 d .
N1 N 1.0073(4) 0.09837(17) 0.40238(15) 0.0213(8) Uani 1 1 d .
N2 N 1.0471(4) 0.19547(18) 0.34905(14) 0.0185(7) Uani 1 1 d .
N3 N 1.0850(4) 0.29526(19) 0.29952(15) 0.0229(8) Uani 1 1 d .
N4 N 0.9112(4) 0.29766(18) 0.36297(14) 0.0197(7) Uani 1 1 d .
N5 N 0.7465(4) 0.29601(18) 0.43060(14) 0.0194(7) Uani 1 1 d .
N6 N 0.8787(4) 0.19799(18) 0.41927(14) 0.0201(7) Uani 1 1 d .
C1 C 0.8186(5) 0.0481(3) 0.4589(2) 0.0331(12) Uani 1 1 d .
C2 C 0.9652(5) 0.0744(2) 0.45545(18) 0.0278(10) Uani 1 1 d .
H2A H 0.9762 0.1124 0.4810 0.033 Uiso 1 1 calc R
H2B H 1.0263 0.0373 0.4667 0.033 Uiso 1 1 calc R
C3 C 1.1278(4) 0.0541(2) 0.31946(18) 0.0233(9) Uani 1 1 d .
C4 C 1.1353(4) 0.0714(2) 0.37948(18) 0.0241(9) Uani 1 1 d .
H4A H 1.1612 0.0298 0.3992 0.029 Uiso 1 1 calc R
H4B H 1.2070 0.1057 0.3850 0.029 Uiso 1 1 calc R
C5 C 0.9304(5) -0.1182(2) 0.39643(18) 0.0241(9) Uani 1 1 d .
C6 C 0.9761(4) 0.1680(2) 0.38971(17) 0.0196(9) Uani 1 1 d .
C7 C 1.0106(4) 0.2612(2) 0.33851(16) 0.0184(8) Uani 1 1 d .
C8 C 1.0490(5) 0.3663(2) 0.28653(18) 0.0244(9) Uani 1 1 d .
H8A H 0.9518 0.3686 0.2785 0.029 Uiso 1 1 calc R
H8B H 1.0986 0.3805 0.2543 0.029 Uiso 1 1 calc R
C9 C 1.1635(5) 0.2539(2) 0.26099(18) 0.0262(10) Uani 1 1 d .
H9A H 1.1740 0.2804 0.2278 0.031 Uiso 1 1 calc R
H9B H 1.1116 0.2123 0.2523 0.031 Uiso 1 1 calc R
C10 C 1.3040(5) 0.2324(2) 0.28066(18) 0.0259(10) Uani 1 1 d .
C11 C 0.8485(4) 0.2633(2) 0.40342(16) 0.0179(8) Uani 1 1 d .
C12 C 0.7129(4) 0.3689(2) 0.41983(18) 0.0209(9) Uani 1 1 d .
H12A H 0.7802 0.3875 0.3947 0.025 Uiso 1 1 calc R
H12B H 0.7214 0.3948 0.4534 0.025 Uiso 1 1 calc R
C13 C 0.6751(4) 0.2590(2) 0.47343(17) 0.0214(9) Uani 1 1 d .
H13A H 0.6597 0.2116 0.4616 0.026 Uiso 1 1 calc R
H13B H 0.5861 0.2805 0.4786 0.026 Uiso 1 1 calc R
C14 C 0.7485(5) 0.2572(2) 0.52770(18) 0.0253(10) Uani 1 1 d .
C15 C 0.5813(5) 0.0831(2) 0.66781(19) 0.0248(10) Uani 1 1 d .
O17 O 0.5089(4) 0.1609(2) 0.37068(16) 0.0487(10) 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'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O12 Zn1 O13 123.20(16) . .
O12 Zn1 O11 89.95(16) . .
O13 Zn1 O11 121.78(14) . .
O12 Zn1 O10 121.23(16) . .
O13 Zn1 O10 98.46(15) . .
O11 Zn1 O10 101.95(15) . .
O3 Zn2 O1 151.21(14) . .
O3 Zn2 O6 97.69(13) . .
O1 Zn2 O6 111.09(14) . .
O3 Zn2 O7 89.22(13) . .
O1 Zn2 O7 90.34(14) . .
O6 Zn2 O7 92.56(15) . .
O3 Zn2 O5 95.69(13) . .
O1 Zn2 O5 85.40(13) . .
O6 Zn2 O5 86.69(14) . .
O7 Zn2 O5 175.08(14) . .
O3 Zn2 N1 75.85(12) . .
O1 Zn2 N1 75.39(13) . .
O6 Zn2 N1 173.49(13) . .
O7 Zn2 N1 86.60(13) . .
O5 Zn2 N1 94.69(13) . .
Zn3 Zn3 O16 76.0(2) 5_656 5_656
Zn3 Zn3 O16 63.3(2) 5_656 .
O16 Zn3 O16 139.26(13) 5_656 .
Zn3 Zn3 O15 90.8(2) 5_656 .
O16 Zn3 O15 95.2(2) 5_656 .
O16 Zn3 O15 85.74(19) . .
Zn3 Zn3 O2 172.18(17) 5_656 .
O16 Zn3 O2 97.4(2) 5_656 .
O16 Zn3 O2 123.2(2) . .
O15 Zn3 O2 94.0(2) . .
Zn3 Zn3 O15 57.35(16) 5_656 5_656
O16 Zn3 O15 78.21(18) 5_656 5_656
O16 Zn3 O15 79.93(18) . 5_656
O15 Zn3 O15 148.16(9) . 5_656
O2 Zn3 O15 117.65(18) . 5_656
O4 Na1 O14 80.33(14) 1_455 5_656
O4 Na1 O8 80.57(14) 1_455 1_455
O14 Na1 O8 160.87(15) 5_656 1_455
O4 Na1 O3 95.30(13) 1_455 6_556
O14 Na1 O3 95.93(13) 5_656 6_556
O8 Na1 O3 86.75(13) 1_455 6_556
O4 Na1 O17 109.78(15) 1_455 .
O14 Na1 O17 102.62(15) 5_656 .
O8 Na1 O17 83.03(14) 1_455 .
O3 Na1 O17 150.82(16) 6_556 .
O4 Na1 O5 166.36(14) 1_455 .
O14 Na1 O5 89.76(12) 5_656 .
O8 Na1 O5 108.91(13) 1_455 .
O3 Na1 O5 95.03(12) 6_556 .
O17 Na1 O5 63.10(13) . .
C1 O1 Zn2 119.0(3) . .
C1 O2 Zn3 108.6(4) . .
C3 O3 Zn2 117.7(3) . .
C3 O3 Na1 121.9(3) . 6_656
Zn2 O3 Na1 118.05(15) . 6_656
C3 O4 Na1 143.4(3) . 1_655
Zn2 O5 Na1 115.80(15) . .
C5 O7 Zn2 139.1(3) . .
C10 O8 Na1 126.5(3) . 1_655
C14 O10 Zn1 124.8(3) . .
C5 O11 Zn1 130.9(3) 5_756 .
C10 O12 Zn1 135.2(3) 4_456 .
C15 O13 Zn1 133.0(3) . .
C15 O14 Na1 130.8(3) . 5_656
C6 N1 C2 116.2(3) . .
C6 N1 C4 115.8(4) . .
C2 N1 C4 118.6(3) . .
C6 N1 Zn2 105.8(3) . .
C2 N1 Zn2 99.2(3) . .
C4 N1 Zn2 96.0(2) . .
C6 N2 C7 112.5(4) . .
C7 N3 C8 118.5(3) . .
C7 N3 C9 118.4(4) . .
C8 N3 C9 119.9(4) . .
C7 N4 C11 114.0(4) . .
C11 N5 C13 119.0(3) . .
C11 N5 C12 121.3(3) . .
C13 N5 C12 119.6(3) . .
C6 N6 C11 113.7(4) . .
O2 C1 O1 123.9(5) . .
O2 C1 C2 116.0(5) . .
O1 C1 C2 120.0(4) . .
N1 C2 C1 115.1(4) . .
N1 C2 H2A 108.5 . .
C1 C2 H2A 108.5 . .
N1 C2 H2B 108.5 . .
C1 C2 H2B 108.5 . .
H2A C2 H2B 107.5 . .
O4 C3 O3 123.5(4) . .
O4 C3 C4 116.9(4) . .
O3 C3 C4 119.6(4) . .
N1 C4 C3 114.4(4) . .
N1 C4 H4A 108.7 . .
C3 C4 H4A 108.7 . .
N1 C4 H4B 108.7 . .
C3 C4 H4B 108.7 . .
H4A C4 H4B 107.6 . .
O7 C5 O11 124.2(4) . 5_756
O7 C5 C12 118.9(4) . 8_755
O11 C5 C12 116.6(4) 5_756 8_755
N6 C6 N2 127.9(4) . .
N6 C6 N1 116.4(4) . .
N2 C6 N1 115.6(4) . .
N2 C7 N4 126.8(4) . .
N2 C7 N3 116.5(4) . .
N4 C7 N3 116.8(4) . .
N3 C8 C15 112.9(4) . 4_556
N3 C8 H8A 109.0 . .
C15 C8 H8A 109.0 4_556 .
N3 C8 H8B 109.0 . .
C15 C8 H8B 109.0 4_556 .
H8A C8 H8B 107.8 . .
N3 C9 C10 114.6(4) . .
N3 C9 H9A 108.6 . .
C10 C9 H9A 108.6 . .
N3 C9 H9B 108.6 . .
C10 C9 H9B 108.6 . .
H9A C9 H9B 107.6 . .
O8 C10 O12 122.6(4) . 4_556
O8 C10 C9 117.2(4) . .
O12 C10 C9 120.2(4) 4_556 .
N4 C11 N6 125.0(4) . .
N4 C11 N5 118.2(4) . .
N6 C11 N5 116.7(4) . .
N5 C12 C5 115.3(3) . 8_765
N5 C12 H12A 108.4 . .
C5 C12 H12A 108.4 8_765 .
N5 C12 H12B 108.4 . .
C5 C12 H12B 108.4 8_765 .
H12A C12 H12B 107.5 . .
N5 C13 C14 115.3(4) . .
N5 C13 H13A 108.4 . .
C14 C13 H13A 108.4 . .
N5 C13 H13B 108.4 . .
C14 C13 H13B 108.4 . .
H13A C13 H13B 107.5 . .
O9 C14 O10 126.2(4) . .
O9 C14 C13 121.1(4) . .
O10 C14 C13 112.6(4) . .
O14 C15 O13 122.5(4) . .
O14 C15 C8 116.7(4) . 4_456
O13 C15 C8 120.7(4) . 4_456
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O12 1.940(3) .
Zn1 O13 1.947(3) .
Zn1 O11 1.951(3) .
Zn1 O10 1.957(3) .
Zn2 O3 1.998(3) .
Zn2 O1 2.017(3) .
Zn2 O6 2.031(3) .
Zn2 O7 2.112(3) .
Zn2 O5 2.122(3) .
Zn2 N1 2.494(4) .
Zn3 Zn3 1.296(3) 5_656
Zn3 O16 1.773(6) 5_656
Zn3 O16 1.926(5) .
Zn3 O15 2.068(4) .
Zn3 O2 2.125(5) .
Zn3 O15 2.456(5) 5_656
Na1 O4 2.333(4) 1_455
Na1 O14 2.403(4) 5_656
Na1 O8 2.409(4) 1_455
Na1 O3 2.423(4) 6_556
Na1 O17 2.436(4) .
Na1 O5 2.710(4) .
O1 C1 1.262(7) .
O2 C1 1.244(6) .
O3 C3 1.269(6) .
O3 Na1 2.423(4) 6_656
O4 C3 1.235(6) .
O4 Na1 2.333(4) 1_655
O7 C5 1.226(5) .
O8 C10 1.241(6) .
O8 Na1 2.409(4) 1_655
O9 C14 1.232(6) .
O10 C14 1.275(6) .
O11 C5 1.245(6) 5_756
O12 C10 1.267(6) 4_456
O13 C15 1.251(6) .
O14 C15 1.248(5) .
O14 Na1 2.403(4) 5_656
O15 Zn3 2.456(5) 5_656
O16 Zn3 1.773(6) 5_656
N1 C6 1.408(5) .
N1 C2 1.448(6) .
N1 C4 1.464(5) .
N2 C6 1.329(6) .
N2 C7 1.339(5) .
N3 C7 1.372(5) .
N3 C8 1.447(6) .
N3 C9 1.457(6) .
N4 C7 1.340(5) .
N4 C11 1.345(5) .
N5 C11 1.355(5) .
N5 C13 1.452(5) .
N5 C12 1.464(5) .
N6 C6 1.329(6) .
N6 C11 1.347(5) .
C1 C2 1.520(7) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 C4 1.520(6) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 O11 1.245(6) 5_756
C5 C12 1.532(6) 8_755
C8 C15 1.521(7) 4_556
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C10 1.511(6) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 O12 1.267(6) 4_556
C12 C5 1.532(6) 8_765
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 C14 1.519(6) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C15 C8 1.521(7) 4_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
O3 Zn2 O1 C1 -28.9(5) . .
O6 Zn2 O1 C1 153.0(3) . .
O7 Zn2 O1 C1 60.1(3) . .
O5 Zn2 O1 C1 -122.4(4) . .
N1 Zn2 O1 C1 -26.3(3) . .
O16 Zn3 O2 C1 164.6(4) 5_656 .
O16 Zn3 O2 C1 -12.1(5) . .
O15 Zn3 O2 C1 -99.6(4) . .
O15 Zn3 O2 C1 84.0(4) 5_656 .
O1 Zn2 O3 C3 32.1(5) . .
O6 Zn2 O3 C3 -149.7(3) . .
O7 Zn2 O3 C3 -57.2(3) . .
O5 Zn2 O3 C3 122.9(3) . .
N1 Zn2 O3 C3 29.5(3) . .
O1 Zn2 O3 Na1 -130.9(2) . 6_656
O6 Zn2 O3 Na1 47.32(18) . 6_656
O7 Zn2 O3 Na1 139.80(18) . 6_656
O5 Zn2 O3 Na1 -40.10(17) . 6_656
N1 Zn2 O3 Na1 -133.51(17) . 6_656
O3 Zn2 O5 Na1 133.27(15) . .
O1 Zn2 O5 Na1 -75.62(17) . .
O6 Zn2 O5 Na1 35.86(16) . .
N1 Zn2 O5 Na1 -150.52(15) . .
O4 Na1 O5 Zn2 53.8(7) 1_455 .
O14 Na1 O5 Zn2 10.61(17) 5_656 .
O8 Na1 O5 Zn2 -173.61(15) 1_455 .
O3 Na1 O5 Zn2 -85.33(16) 6_556 .
O17 Na1 O5 Zn2 114.9(2) . .
O3 Zn2 O7 C5 -151.2(5) . .
O1 Zn2 O7 C5 57.6(5) . .
O6 Zn2 O7 C5 -53.5(5) . .
N1 Zn2 O7 C5 132.9(5) . .
O12 Zn1 O10 C14 55.8(4) . .
O13 Zn1 O10 C14 -166.7(4) . .
O11 Zn1 O10 C14 -41.5(4) . .
O12 Zn1 O11 C5 99.4(5) . 5_756
O13 Zn1 O11 C5 -30.7(5) . 5_756
O10 Zn1 O11 C5 -138.7(5) . 5_756
O13 Zn1 O12 C10 -49.4(5) . 4_456
O11 Zn1 O12 C10 -178.3(5) . 4_456
O10 Zn1 O12 C10 77.7(5) . 4_456
O12 Zn1 O13 C15 39.5(5) . .
O11 Zn1 O13 C15 153.3(4) . .
O10 Zn1 O13 C15 -96.9(4) . .
O16 Zn3 O15 Zn3 -76.0(2) 5_656 5_656
O16 Zn3 O15 Zn3 63.1(2) . 5_656
O2 Zn3 O15 Zn3 -173.83(16) . 5_656
O15 Zn3 O15 Zn3 0.0 5_656 5_656
O16 Zn3 O16 Zn3 0.0 5_656 5_656
O15 Zn3 O16 Zn3 -93.1(2) . 5_656
O2 Zn3 O16 Zn3 175.0(2) . 5_656
O15 Zn3 O16 Zn3 58.39(17) 5_656 5_656
O3 Zn2 N1 C6 85.6(3) . .
O1 Zn2 N1 C6 -93.1(3) . .
O7 Zn2 N1 C6 175.6(3) . .
O5 Zn2 N1 C6 -9.1(3) . .
O3 Zn2 N1 C2 -153.7(3) . .
O1 Zn2 N1 C2 27.6(2) . .
O7 Zn2 N1 C2 -63.7(3) . .
O5 Zn2 N1 C2 111.6(3) . .
O3 Zn2 N1 C4 -33.4(2) . .
O1 Zn2 N1 C4 147.9(3) . .
O7 Zn2 N1 C4 56.6(2) . .
O5 Zn2 N1 C4 -128.1(2) . .
Zn3 O2 C1 O1 -7.5(6) . .
Zn3 O2 C1 C2 174.0(3) . .
Zn2 O1 C1 O2 -159.1(4) . .
Zn2 O1 C1 C2 19.3(5) . .
C6 N1 C2 C1 85.6(5) . .
C4 N1 C2 C1 -129.3(4) . .
Zn2 N1 C2 C1 -27.2(4) . .
O2 C1 C2 N1 -170.0(4) . .
O1 C1 C2 N1 11.5(6) . .
Na1 O4 C3 O3 153.7(4) 1_655 .
Na1 O4 C3 C4 -28.3(7) 1_655 .
Zn2 O3 C3 O4 159.4(4) . .
Na1 O3 C3 O4 -38.3(6) 6_656 .
Zn2 O3 C3 C4 -18.5(5) . .
Na1 O3 C3 C4 143.8(3) 6_656 .
C6 N1 C4 C3 -76.1(5) . .
C2 N1 C4 C3 138.7(4) . .
Zn2 N1 C4 C3 34.7(4) . .
O4 C3 C4 N1 163.2(4) . .
O3 C3 C4 N1 -18.8(6) . .
Zn2 O7 C5 O11 167.3(4) . 5_756
Zn2 O7 C5 C12 -19.7(8) . 8_755
C11 N6 C6 N2 2.5(6) . .
C11 N6 C6 N1 -176.7(4) . .
C7 N2 C6 N6 -0.4(6) . .
C7 N2 C6 N1 178.9(4) . .
C2 N1 C6 N6 -19.3(6) . .
C4 N1 C6 N6 -165.4(4) . .
Zn2 N1 C6 N6 89.7(4) . .
C2 N1 C6 N2 161.3(4) . .
C4 N1 C6 N2 15.2(5) . .
Zn2 N1 C6 N2 -89.7(4) . .
C6 N2 C7 N4 -2.5(6) . .
C6 N2 C7 N3 175.8(4) . .
C11 N4 C7 N2 2.8(6) . .
C11 N4 C7 N3 -175.4(4) . .
C8 N3 C7 N2 179.7(4) . .
C9 N3 C7 N2 19.9(6) . .
C8 N3 C7 N4 -1.8(6) . .
C9 N3 C7 N4 -161.7(4) . .
C7 N3 C8 C15 68.9(5) . 4_556
C9 N3 C8 C15 -131.6(4) . 4_556
C7 N3 C9 C10 -84.7(5) . .
C8 N3 C9 C10 115.7(4) . .
Na1 O8 C10 O12 52.1(6) 1_655 4_556
Na1 O8 C10 C9 -130.3(4) 1_655 .
N3 C9 C10 O8 163.8(4) . .
N3 C9 C10 O12 -18.5(6) . 4_556
C7 N4 C11 N6 -0.3(6) . .
C7 N4 C11 N5 179.9(4) . .
C6 N6 C11 N4 -2.1(6) . .
C6 N6 C11 N5 177.7(4) . .
C13 N5 C11 N4 178.4(4) . .
C12 N5 C11 N4 -5.4(6) . .
C13 N5 C11 N6 -1.4(6) . .
C12 N5 C11 N6 174.8(4) . .
C11 N5 C12 C5 115.8(4) . 8_765
C13 N5 C12 C5 -68.0(5) . 8_765
C11 N5 C13 C14 80.7(5) . .
C12 N5 C13 C14 -95.6(5) . .
Zn1 O10 C14 O9 -19.5(7) . .
Zn1 O10 C14 C13 162.2(3) . .
N5 C13 C14 O9 18.1(6) . .
N5 C13 C14 O10 -163.5(4) . .
Na1 O14 C15 O13 87.6(5) 5_656 .
Na1 O14 C15 C8 -89.6(5) 5_656 4_456
Zn1 O13 C15 O14 169.4(3) . .
Zn1 O13 C15 C8 -13.4(7) . 4_456
