#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/03/7220366.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_7220366
loop_
_publ_author_name
'Ding, Yu-Jia'
'Li, Teng'
'Hong, Xu-Jia'
'Zhu, Li-Cai'
'Cai, Yue-Peng'
'Zhu, Si-Ming'
'Yu, Shu-Juan'
_publ_section_title
;
 Construction of four 3d--4f heterometallic pillar-layered frameworks
 containing left- and right-handed helical chains and a
 I−chemosensor
;
_journal_issue                   21
_journal_name_full               CrystEngComm
_journal_page_first              3945
_journal_paper_doi               10.1039/C5CE00324E
_journal_volume                  17
_journal_year                    2015
_chemical_formula_sum            'C20 H28 N8 Nd2 O32 S Zn4'
_chemical_formula_weight         1474.52
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-04-15 deposited with the CCDC.
2015-04-17 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 128.9300(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.245(3)
_cell_length_b                   9.6639(10)
_cell_length_c                   20.026(2)
_cell_measurement_reflns_used    4811
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.02
_cell_measurement_theta_min      2.35
_cell_volume                     3800.6(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0297
_diffrn_reflns_av_sigmaI/netI    0.0338
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            9478
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         2.07
_exptl_absorpt_coefficient_mu    5.348
_exptl_absorpt_correction_T_max  0.5907
_exptl_absorpt_correction_T_min  0.3858
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            'light red'
_exptl_crystal_density_diffrn    2.577
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2864
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.259
_refine_diff_density_min         -0.860
_refine_diff_density_rms         0.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     303
_refine_ls_number_reflns         3449
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0326
_refine_ls_R_factor_gt           0.0287
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0417P)²+17.6220P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0768
_refine_ls_wR_factor_ref         0.0791
_reflns_number_gt                3113
_reflns_number_total             3449
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ce00324e1.cif
_cod_data_source_block           c
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7220366--7220369.cif.
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7220366
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Nd1 Nd 1.013811(12) 0.60165(2) 0.418603(15) 0.01393(10) Uani 1 1 d .
Zn1 Zn 0.78399(3) 0.52463(6) 0.18067(3) 0.01676(14) Uani 1 1 d .
Zn2 Zn 1.13756(3) 0.03045(6) 0.43986(4) 0.02012(15) Uani 1 1 d .
C6 C 1.1081(2) 0.3075(5) 0.4679(3) 0.0185(10) Uani 1 1 d .
C7 C 1.1437(2) 0.3247(5) 0.4312(3) 0.0175(10) Uani 1 1 d .
O5 O 1.09897(19) 0.1832(4) 0.4791(2) 0.0282(8) Uani 1 1 d .
N3 N 1.1697(2) 0.2086(4) 0.4226(2) 0.0185(9) Uani 1 1 d .
C8 C 1.1981(2) 0.2513(5) 0.3886(3) 0.0196(10) Uani 1 1 d .
H8 H 1.2198 0.1924 0.3758 0.024 Uiso 1 1 calc R
O6 O 1.08987(19) 0.4096(4) 0.4875(2) 0.0257(8) Uani 1 1 d .
O9 O 1.04782(19) -0.0186(4) 0.3234(2) 0.0320(9) Uani 1 1 d .
O10 O 1.0365(2) 0.1595(4) 0.2301(3) 0.0378(10) Uani 1 1 d .
S1 S 1.0000 0.07579(18) 0.2500 0.0248(4) Uani 1 2 d S
C10 C 1.1372(2) 0.5835(5) 0.3849(3) 0.0198(10) Uani 1 1 d .
C9 C 1.1573(2) 0.4366(5) 0.4014(3) 0.0170(10) Uani 1 1 d .
N4 N 1.1923(2) 0.3889(4) 0.3744(3) 0.0185(9) Uani 1 1 d .
O7 O 1.0971(2) 0.6314(4) 0.3953(3) 0.0326(9) Uani 1 1 d .
O8 O 1.16095(19) 0.6539(4) 0.3557(2) 0.0251(8) Uani 1 1 d .
C4 C 0.8286(2) 0.3492(5) 0.3292(3) 0.0148(9) Uani 1 1 d .
C5 C 0.8880(2) 0.4354(5) 0.3605(3) 0.0143(9) Uani 1 1 d .
O4 O 0.88137(16) 0.5288(3) 0.3113(2) 0.0183(7) Uani 1 1 d .
N2 N 0.77101(19) 0.3710(4) 0.2449(2) 0.0175(8) Uani 1 1 d .
O3 O 0.94570(16) 0.4167(3) 0.4336(2) 0.0180(7) Uani 1 1 d .
C3 C 0.7261(2) 0.2765(5) 0.2304(3) 0.0198(10) Uani 1 1 d .
H3 H 0.6826 0.2677 0.1782 0.024 Uiso 1 1 calc R
N1 N 0.74999(19) 0.1956(4) 0.2984(2) 0.0185(8) Uani 1 1 d .
C2 C 0.8149(2) 0.2402(5) 0.3616(3) 0.0153(9) Uani 1 1 d .
C1 C 0.8540(2) 0.1661(5) 0.4446(3) 0.0156(9) Uani 1 1 d .
O1 O 0.82187(17) 0.0671(3) 0.4480(2) 0.0219(8) Uani 1 1 d .
O2 O 0.91362(16) 0.1976(4) 0.5058(2) 0.0219(7) Uani 1 1 d .
O1W O 0.9781(2) 0.4347(4) 0.2989(2) 0.0318(9) Uani 1 1 d .
O2W O 0.96079(19) 0.7580(4) 0.2962(2) 0.0313(9) Uani 1 1 d .
O3W O 0.94952(18) 0.7812(4) 0.4306(2) 0.0278(8) Uani 1 1 d .
O4W O 1.1961(2) -0.0898(4) 0.4207(3) 0.0455(11) Uani 1 1 d .
O5W O 0.9448(3) 0.0568(5) 0.3894(4) 0.0610(14) Uani 1 1 d .
O6W O 0.8253(7) 0.0157(11) 0.2260(8) 0.168(4) 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'
S S 0.1246 0.1234 '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'
Nd Nd -0.1943 3.0179 '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
O6 Nd1 O2W 142.68(12) . .
O6 Nd1 O2 104.01(12) . 5_766
O2W Nd1 O2 81.67(12) . 5_766
O6 Nd1 O7 74.08(12) . .
O2W Nd1 O7 74.30(13) . .
O2 Nd1 O7 67.84(13) 5_766 .
O6 Nd1 O3 70.92(11) . 5_766
O2W Nd1 O3 143.62(12) . 5_766
O2 Nd1 O3 74.16(11) 5_766 5_766
O7 Nd1 O3 118.86(13) . 5_766
O6 Nd1 O3W 145.30(12) . .
O2W Nd1 O3W 71.73(12) . .
O2 Nd1 O3W 70.48(12) 5_766 .
O7 Nd1 O3W 128.97(12) . .
O3 Nd1 O3W 74.73(11) 5_766 .
O6 Nd1 O1W 74.42(12) . .
O2W Nd1 O1W 78.44(13) . .
O2 Nd1 O1W 140.87(12) 5_766 .
O7 Nd1 O1W 74.45(14) . .
O3 Nd1 O1W 136.37(12) 5_766 .
O3W Nd1 O1W 131.92(12) . .
O6 Nd1 O3 75.60(11) . .
O2W Nd1 O3 123.44(11) . .
O2 Nd1 O3 139.68(11) 5_766 .
O7 Nd1 O3 143.82(11) . .
O3 Nd1 O3 67.65(12) 5_766 .
O3W Nd1 O3 87.13(11) . .
O1W Nd1 O3 78.79(12) . .
O6 Nd1 O4 113.70(11) . .
O2W Nd1 O4 74.82(11) . .
O2 Nd1 O4 140.88(11) 5_766 .
O7 Nd1 O4 131.65(12) . .
O3 Nd1 O4 108.09(10) 5_766 .
O3W Nd1 O4 72.64(11) . .
O1W Nd1 O4 63.54(11) . .
O3 Nd1 O4 48.69(10) . .
N1 Zn1 N4 161.44(16) 4_655 2_755
N1 Zn1 N2 101.46(16) 4_655 .
N4 Zn1 N2 95.04(16) 2_755 .
N1 Zn1 O4 92.37(14) 4_655 .
N4 Zn1 O4 99.65(14) 2_755 .
N2 Zn1 O4 76.95(13) . .
N1 Zn1 O8 92.37(14) 4_655 2_755
N4 Zn1 O8 74.70(14) 2_755 2_755
N2 Zn1 O8 157.88(14) . 2_755
O4 Zn1 O8 85.39(13) . 2_755
N1 Zn1 O1 75.01(13) 4_655 4_655
N4 Zn1 O1 92.18(14) 2_755 4_655
N2 Zn1 O1 106.91(14) . 4_655
O4 Zn1 O1 167.26(12) . 4_655
O8 Zn1 O1 93.23(13) 2_755 4_655
O1 Zn2 N3 127.50(15) 5_756 .
O1 Zn2 O9 125.82(14) 5_756 .
N3 Zn2 O9 106.20(15) . .
O1 Zn2 O4W 91.22(18) 5_756 .
N3 Zn2 O4W 92.06(16) . .
O9 Zn2 O4W 93.78(18) . .
O1 Zn2 O5 86.81(14) 5_756 .
N3 Zn2 O5 78.63(14) . .
O9 Zn2 O5 98.25(16) . .
O4W Zn2 O5 166.44(16) . .
O6 C6 O5 123.2(4) . .
O6 C6 C7 121.5(4) . .
O5 C6 C7 115.3(4) . .
N3 C7 C9 108.6(4) . .
N3 C7 C6 117.3(4) . .
C9 C7 C6 134.1(4) . .
C6 O5 Zn2 114.0(3) . .
C8 N3 C7 105.5(4) . .
C8 N3 Zn2 139.2(3) . .
C7 N3 Zn2 113.7(3) . .
N3 C8 N4 113.1(4) . .
N3 C8 H8 123.5 . .
N4 C8 H8 123.5 . .
C6 O6 Nd1 138.7(3) . .
S1 O9 Zn2 128.0(2) . .
O10 S1 O10 112.5(4) 2_755 .
O10 S1 O9 109.3(2) 2_755 .
O10 S1 O9 110.5(2) . .
O10 S1 O9 110.5(2) 2_755 2_755
O10 S1 O9 109.3(2) . 2_755
O9 S1 O9 104.5(3) . 2_755
O7 C10 O8 123.3(5) . .
O7 C10 C9 121.5(4) . .
O8 C10 C9 115.1(4) . .
N4 C9 C7 107.7(4) . .
N4 C9 C10 116.8(4) . .
C7 C9 C10 135.1(4) . .
C8 N4 C9 105.1(4) . .
C8 N4 Zn1 136.1(3) . 2_755
C9 N4 Zn1 118.6(3) . 2_755
C10 O7 Nd1 151.4(3) . .
C10 O8 Zn1 114.2(3) . 2_755
C2 C4 N2 107.8(4) . .
C2 C4 C5 135.9(4) . .
N2 C4 C5 116.2(4) . .
O3 C5 O4 119.4(4) . .
O3 C5 C4 122.3(4) . .
O4 C5 C4 118.2(4) . .
C5 O4 Zn1 114.5(3) . .
C5 O4 Nd1 94.3(3) . .
Zn1 O4 Nd1 148.83(14) . .
C3 N2 C4 104.9(4) . .
C3 N2 Zn1 141.2(3) . .
C4 N2 Zn1 113.7(3) . .
C5 O3 Nd1 134.8(3) . 5_766
C5 O3 Nd1 97.5(3) . .
Nd1 O3 Nd1 112.36(12) 5_766 .
N2 C3 N1 113.5(4) . .
N2 C3 H3 123.2 . .
N1 C3 H3 123.2 . .
C3 N1 C2 105.6(4) . .
C3 N1 Zn1 135.1(3) . 4_645
C2 N1 Zn1 118.9(3) . 4_645
N1 C2 C4 108.1(4) . .
N1 C2 C1 117.0(4) . .
C4 C2 C1 134.9(4) . .
O2 C1 O1 123.0(4) . .
O2 C1 C2 122.0(4) . .
O1 C1 C2 115.0(4) . .
C1 O1 Zn2 120.7(3) . 5_756
C1 O1 Zn1 113.6(3) . 4_645
Zn2 O1 Zn1 125.61(15) 5_756 4_645
C1 O2 Nd1 141.4(3) . 5_766
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Nd1 O6 2.389(3) .
Nd1 O2W 2.442(3) .
Nd1 O2 2.434(3) 5_766
Nd1 O7 2.440(3) .
Nd1 O3 2.457(3) 5_766
Nd1 O3W 2.489(3) .
Nd1 O1W 2.538(4) .
Nd1 O3 2.625(3) .
Nd1 O4 2.695(3) .
Zn1 N1 2.023(4) 4_655
Zn1 N4 2.031(4) 2_755
Zn1 N2 2.120(4) .
Zn1 O4 2.192(3) .
Zn1 O8 2.300(3) 2_755
Zn1 O1 2.301(3) 4_655
Zn2 O1 2.021(3) 5_756
Zn2 N3 2.023(4) .
Zn2 O9 2.039(4) .
Zn2 O4W 2.096(4) .
Zn2 O5 2.170(4) .
C6 O6 1.252(6) .
C6 O5 1.269(6) .
C6 C7 1.485(6) .
C7 N3 1.365(6) .
C7 C9 1.379(7) .
N3 C8 1.328(6) .
C8 N4 1.348(6) .
C8 H8 0.9300 .
O9 S1 1.490(4) .
O10 S1 1.457(4) .
S1 O10 1.457(4) 2_755
S1 O9 1.490(4) 2_755
C10 O7 1.244(6) .
C10 O8 1.267(6) .
C10 C9 1.474(7) .
C9 N4 1.373(6) .
N4 Zn1 2.031(4) 2_755
O8 Zn1 2.300(3) 2_755
C4 C2 1.390(6) .
C4 N2 1.387(6) .
C4 C5 1.468(6) .
C5 O3 1.272(6) .
C5 O4 1.268(6) .
N2 C3 1.337(6) .
O3 Nd1 2.457(3) 5_766
C3 N1 1.341(6) .
C3 H3 0.9300 .
N1 C2 1.366(6) .
N1 Zn1 2.023(4) 4_645
C2 C1 1.478(6) .
C1 O2 1.242(5) .
C1 O1 1.284(6) .
O1 Zn2 2.021(3) 5_756
O1 Zn1 2.302(3) 4_645
O2 Nd1 2.434(3) 5_766
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
O6 C6 C7 N3 171.4(4) . .
O5 C6 C7 N3 -7.3(6) . .
O6 C6 C7 C9 -9.1(8) . .
O5 C6 C7 C9 172.2(5) . .
O6 C6 O5 Zn2 -179.3(4) . .
C7 C6 O5 Zn2 -0.6(5) . .
O1 Zn2 O5 C6 134.4(3) 5_756 .
N3 Zn2 O5 C6 5.2(3) . .
O9 Zn2 O5 C6 -99.8(3) . .
O4W Zn2 O5 C6 52.5(9) . .
C9 C7 N3 C8 0.1(5) . .
C6 C7 N3 C8 179.8(4) . .
C9 C7 N3 Zn2 -167.9(3) . .
C6 C7 N3 Zn2 11.7(5) . .
O1 Zn2 N3 C8 111.9(5) 5_756 .
O9 Zn2 N3 C8 -75.7(5) . .
O4W Zn2 N3 C8 18.8(5) . .
O5 Zn2 N3 C8 -171.1(5) . .
O1 Zn2 N3 C7 -85.8(4) 5_756 .
O9 Zn2 N3 C7 86.5(3) . .
O4W Zn2 N3 C7 -178.9(3) . .
O5 Zn2 N3 C7 -8.9(3) . .
C7 N3 C8 N4 0.0(6) . .
Zn2 N3 C8 N4 163.2(4) . .
O5 C6 O6 Nd1 -117.7(5) . .
C7 C6 O6 Nd1 63.7(7) . .
O2W Nd1 O6 C6 -29.6(6) . .
O2 Nd1 O6 C6 -124.3(5) 5_766 .
O7 Nd1 O6 C6 -62.7(5) . .
O3 Nd1 O6 C6 168.3(5) 5_766 .
O3W Nd1 O6 C6 159.9(4) . .
O1W Nd1 O6 C6 15.2(5) . .
O3 Nd1 O6 C6 97.4(5) . .
O4 Nd1 O6 C6 66.3(5) . .
O1 Zn2 O9 S1 149.7(3) 5_756 .
N3 Zn2 O9 S1 -22.8(4) . .
O4W Zn2 O9 S1 -116.0(3) . .
O5 Zn2 O9 S1 57.7(3) . .
Zn2 O9 S1 O10 -73.9(4) . 2_755
Zn2 O9 S1 O10 50.4(4) . .
Zn2 O9 S1 O9 167.8(4) . 2_755
N3 C7 C9 N4 -0.2(5) . .
C6 C7 C9 N4 -179.8(5) . .
N3 C7 C9 C10 172.2(5) . .
C6 C7 C9 C10 -7.3(10) . .
O7 C10 C9 N4 169.3(5) . .
O8 C10 C9 N4 -7.3(7) . .
O7 C10 C9 C7 -2.6(9) . .
O8 C10 C9 C7 -179.2(5) . .
N3 C8 N4 C9 -0.2(6) . .
N3 C8 N4 Zn1 -175.2(3) . 2_755
C7 C9 N4 C8 0.2(5) . .
C10 C9 N4 C8 -173.8(4) . .
C7 C9 N4 Zn1 176.3(3) . 2_755
C10 C9 N4 Zn1 2.3(6) . 2_755
O8 C10 O7 Nd1 163.8(5) . .
C9 C10 O7 Nd1 -12.5(11) . .
O6 Nd1 O7 C10 31.0(8) . .
O2W Nd1 O7 C10 -128.9(8) . .
O2 Nd1 O7 C10 143.9(8) 5_766 .
O3 Nd1 O7 C10 88.0(8) 5_766 .
O3W Nd1 O7 C10 -178.6(7) . .
O1W Nd1 O7 C10 -46.8(8) . .
O3 Nd1 O7 C10 -3.1(9) . .
O4 Nd1 O7 C10 -76.8(8) . .
O7 C10 O8 Zn1 -168.4(4) . 2_755
C9 C10 O8 Zn1 8.1(5) . 2_755
C2 C4 C5 O3 2.1(8) . .
N2 C4 C5 O3 -173.1(4) . .
C2 C4 C5 O4 -180.0(5) . .
N2 C4 C5 O4 4.8(6) . .
O3 C5 O4 Zn1 170.4(3) . .
C4 C5 O4 Zn1 -7.5(5) . .
O3 C5 O4 Nd1 2.6(4) . .
C4 C5 O4 Nd1 -175.4(3) . .
N1 Zn1 O4 C5 107.2(3) 4_655 .
N4 Zn1 O4 C5 -87.0(3) 2_755 .
N2 Zn1 O4 C5 6.0(3) . .
O8 Zn1 O4 C5 -160.6(3) 2_755 .
O1 Zn1 O4 C5 115.2(6) 4_655 .
N1 Zn1 O4 Nd1 -96.8(3) 4_655 .
N4 Zn1 O4 Nd1 69.0(3) 2_755 .
N2 Zn1 O4 Nd1 162.0(3) . .
O8 Zn1 O4 Nd1 -4.6(3) 2_755 .
O1 Zn1 O4 Nd1 -88.9(6) 4_655 .
O6 Nd1 O4 C5 40.2(3) . .
O2W Nd1 O4 C5 -178.5(3) . .
O2 Nd1 O4 C5 -123.3(3) 5_766 .
O7 Nd1 O4 C5 129.6(3) . .
O3 Nd1 O4 C5 -36.4(3) 5_766 .
O3W Nd1 O4 C5 -103.3(3) . .
O1W Nd1 O4 C5 97.1(3) . .
O3 Nd1 O4 C5 -1.5(2) . .
O6 Nd1 O4 Zn1 -118.0(3) . .
O2W Nd1 O4 Zn1 23.3(3) . .
O2 Nd1 O4 Zn1 78.5(3) 5_766 .
O7 Nd1 O4 Zn1 -28.6(4) . .
O3 Nd1 O4 Zn1 165.4(3) 5_766 .
O3W Nd1 O4 Zn1 98.5(3) . .
O1W Nd1 O4 Zn1 -61.1(3) . .
O3 Nd1 O4 Zn1 -159.7(4) . .
C2 C4 N2 C3 0.0(5) . .
C5 C4 N2 C3 176.5(4) . .
C2 C4 N2 Zn1 -175.8(3) . .
C5 C4 N2 Zn1 0.7(5) . .
N1 Zn1 N2 C3 93.4(5) 4_655 .
N4 Zn1 N2 C3 -78.1(5) 2_755 .
O4 Zn1 N2 C3 -176.8(6) . .
O8 Zn1 N2 C3 -139.0(5) 2_755 .
O1 Zn1 N2 C3 15.7(6) 4_655 .
N1 Zn1 N2 C4 -93.1(3) 4_655 .
N4 Zn1 N2 C4 95.5(3) 2_755 .
O4 Zn1 N2 C4 -3.3(3) . .
O8 Zn1 N2 C4 34.6(6) 2_755 .
O1 Zn1 N2 C4 -170.7(3) 4_655 .
O4 C5 O3 Nd1 129.6(4) . 5_766
C4 C5 O3 Nd1 -52.6(6) . 5_766
O4 C5 O3 Nd1 -2.7(4) . .
C4 C5 O3 Nd1 175.2(4) . .
O6 Nd1 O3 C5 -139.6(3) . .
O2W Nd1 O3 C5 4.9(3) . .
O2 Nd1 O3 C5 125.6(3) 5_766 .
O7 Nd1 O3 C5 -105.8(3) . .
O3 Nd1 O3 C5 145.4(3) 5_766 .
O3W Nd1 O3 C5 70.8(3) . .
O1W Nd1 O3 C5 -63.0(3) . .
O4 Nd1 O3 C5 1.5(2) . .
O6 Nd1 O3 Nd1 74.97(14) . 5_766
O2W Nd1 O3 Nd1 -140.50(14) . 5_766
O2 Nd1 O3 Nd1 -19.8(2) 5_766 5_766
O7 Nd1 O3 Nd1 108.8(2) . 5_766
O3 Nd1 O3 Nd1 0.0 5_766 5_766
O3W Nd1 O3 Nd1 -74.66(14) . 5_766
O1W Nd1 O3 Nd1 151.56(15) . 5_766
O4 Nd1 O3 Nd1 -143.95(19) . 5_766
C4 N2 C3 N1 0.0(6) . .
Zn1 N2 C3 N1 173.9(4) . .
N2 C3 N1 C2 0.0(6) . .
N2 C3 N1 Zn1 -172.5(3) . 4_645
C3 N1 C2 C4 0.0(5) . .
Zn1 N1 C2 C4 173.9(3) 4_645 .
C3 N1 C2 C1 -179.0(4) . .
Zn1 N1 C2 C1 -5.1(5) 4_645 .
N2 C4 C2 N1 0.0(5) . .
C5 C4 C2 N1 -175.6(5) . .
N2 C4 C2 C1 178.8(5) . .
C5 C4 C2 C1 3.3(10) . .
N1 C2 C1 O2 179.2(4) . .
C4 C2 C1 O2 0.4(8) . .
N1 C2 C1 O1 -0.4(6) . .
C4 C2 C1 O1 -179.2(5) . .
O2 C1 O1 Zn2 8.1(6) . 5_756
C2 C1 O1 Zn2 -172.3(3) . 5_756
O2 C1 O1 Zn1 -174.7(4) . 4_645
C2 C1 O1 Zn1 4.9(5) . 4_645
O1 C1 O2 Nd1 -137.9(4) . 5_766
C2 C1 O2 Nd1 42.5(7) . 5_766
