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#$Date: 2021-05-31 12:03:56 +0300 (Mon, 31 May 2021) $
#$Revision: 265633 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/30/1563008.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_1563008
loop_
_publ_author_name
'Li, Qiao-Yun'
'Chen, Dian-Yu'
'He, Ming-Hua'
'Yang, Gao-Wen'
'Shen, Lei'
'Zhai, Chun'
'Shen, Wei'
'Gu, Kun'
'Zhao, Jing-Jing'
_publ_section_title
;
 Nd(III) and Dy(III) coordination compounds based on
 1H-tetrazolate-5-acetic acid ligands: Synthesis, crystal structures and
 catalytic properties
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              196
_journal_page_last               201
_journal_paper_doi               10.1016/j.jssc.2012.02.007
_journal_volume                  190
_journal_year                    2012
_chemical_formula_moiety         'C9 H18 Dy2 N12 O12, H O0.50, 1.5(H2 O) '
_chemical_formula_sum            'C9 H22 Dy2 N12 O14'
_chemical_formula_weight         847.39
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                107.54(3)
_cell_angle_beta                 106.85(3)
_cell_angle_gamma                98.82(3)
_cell_formula_units_Z            2
_cell_length_a                   10.387(2)
_cell_length_b                   12.726(3)
_cell_length_c                   14.278(3)
_cell_measurement_temperature    291(2)
_cell_volume                     1661.3(8)
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku mercury'
_diffrn_measurement_method       ω
_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  0.0211
_diffrn_reflns_av_sigmaI/netI    0.0440
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            15637
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.04
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.528
_exptl_absorpt_correction_T_max  0.4358
_exptl_absorpt_correction_T_min  0.3637
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.694
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             808
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.341
_refine_diff_density_min         -1.574
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         6516
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0505
_refine_ls_R_factor_gt           0.0349
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0300P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0640
_refine_ls_wR_factor_ref         0.0658
_reflns_number_gt                5021
_reflns_number_total             6516
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2012-190-196.cif
_cod_data_source_block           t2
_cod_original_cell_volume        1661.3(6)
_cod_database_code               1563008
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C3 C 0.5311(5) 0.5563(4) 0.1427(4) 0.0444(12) Uani 1 1 d . . .
C2 C 0.6817(5) 0.5879(4) 0.2092(4) 0.0468(12) Uani 1 1 d . . .
H2A H 0.7335 0.6351 0.1832 0.056 Uiso 1 1 calc R . .
H2B H 0.6928 0.6347 0.2801 0.056 Uiso 1 1 calc R . .
C1 C 0.7470(5) 0.4931(4) 0.2150(4) 0.0408(11) Uani 1 1 d . . .
C6 C 0.4950(6) 0.5575(4) 0.3997(4) 0.0471(13) Uani 1 1 d . . .
C5 C 0.3476(5) 0.5613(5) 0.3478(4) 0.0555(15) Uani 1 1 d . . .
H5A H 0.3167 0.6048 0.4017 0.067 Uiso 1 1 calc R . .
H5B H 0.3480 0.6019 0.3003 0.067 Uiso 1 1 calc R . .
C4 C 0.2434(5) 0.4461(4) 0.2872(4) 0.0358(10) Uani 1 1 d . . .
C9 C 0.5224(6) 0.0394(4) 0.1370(4) 0.0492(13) Uani 1 1 d . . .
C8 C 0.3787(5) -0.0095(5) 0.1327(4) 0.0475(13) Uani 1 1 d . . .
H8A H 0.3502 -0.0891 0.0864 0.057 Uiso 1 1 calc R . .
H8B H 0.3882 -0.0090 0.2024 0.057 Uiso 1 1 calc R . .
C7 C 0.2633(5) 0.0378(4) 0.1005(4) 0.0514(14) Uani 1 1 d . . .
Dy1 Dy 0.45837(2) 0.307350(19) 0.191640(17) 0.03541(7) Uani 1 1 d . . .
Dy2 Dy 0.90510(2) 0.328330(19) 0.225930(17) 0.03834(7) Uani 1 1 d . . .
N1 N 0.4284(4) 0.4698(4) 0.1337(3) 0.0458(10) Uani 1 1 d . . .
N2 N 0.3070(4) 0.4742(4) 0.0653(3) 0.0443(10) Uani 1 1 d . . .
N3 N 0.3354(5) 0.5652(4) 0.0403(3) 0.0486(11) Uani 1 1 d . . .
N4 N 0.4720(5) 0.6137(4) 0.0800(3) 0.0465(10) Uani 1 1 d . . .
N5 N 0.5640(5) 0.4859(4) 0.3538(3) 0.0468(11) Uani 1 1 d . . .
N6 N 0.6878(5) 0.5149(4) 0.4216(3) 0.0509(11) Uani 1 1 d . . .
N7 N 0.7030(5) 0.6036(4) 0.5067(3) 0.0476(11) Uani 1 1 d . . .
N8 N 0.5809(5) 0.6292(4) 0.4911(3) 0.0535(12) Uani 1 1 d . . .
N9 N 0.5792(4) 0.1514(3) 0.1690(3) 0.0417(10) Uani 1 1 d . . .
N10 N 0.7045(4) 0.1554(4) 0.1629(3) 0.0430(10) Uani 1 1 d . . .
N11 N 0.7279(4) 0.0571(4) 0.1362(3) 0.0428(10) Uani 1 1 d . . .
N12 N 0.6033(5) -0.0216(4) 0.1120(4) 0.0500(11) Uani 1 1 d . . .
O2 O 0.6755(3) 0.3916(3) 0.1894(3) 0.0407(8) Uani 1 1 d . . .
O1 O 0.8773(3) 0.5182(3) 0.2468(2) 0.0380(7) Uani 1 1 d . . .
O4 O 0.2763(3) 0.3598(3) 0.2413(3) 0.0439(8) Uani 1 1 d . . .
O3 O 0.1213(4) 0.4483(3) 0.2781(3) 0.0447(8) Uani 1 1 d . . .
O6 O 0.2869(4) 0.1401(3) 0.1125(3) 0.0455(8) Uani 1 1 d . . .
O5 O 0.1395(4) -0.0277(3) 0.0610(3) 0.0481(9) Uani 1 1 d . . .
O9 O 0.4818(4) 0.2489(3) 0.3363(3) 0.0435(8) Uani 1 1 d . . .
H9B H 0.4412 0.2881 0.3720 0.052 Uiso 1 1 d R . .
H9C H 0.5683 0.2727 0.3734 0.052 Uiso 1 1 d R . .
O10 O 0.4148(4) 0.2427(3) 0.0077(2) 0.0446(8) Uani 1 1 d . . .
H10A H 0.3751 0.1715 -0.0202 0.053 Uiso 1 1 d R . .
H10C H 0.3622 0.2785 -0.0202 0.053 Uiso 1 1 d R . .
O11 O 0.8696(4) 0.3875(3) 0.3872(2) 0.0415(8) Uani 1 1 d . . .
H11B H 0.8874 0.4600 0.4100 0.050 Uiso 1 1 d R . .
H11C H 0.7835 0.3620 0.3750 0.050 Uiso 1 1 d R . .
O12 O 1.0425(4) 0.2521(3) 0.3401(2) 0.0456(9) Uani 1 1 d . . .
H12A H 1.1239 0.2672 0.3379 0.055 Uiso 1 1 d R . .
H12C H 1.0490 0.2918 0.4018 0.055 Uiso 1 1 d R . .
O13 O 0.9938(3) 0.1912(3) 0.1280(3) 0.0390(8) Uani 1 1 d . . .
H13B H 1.0485 0.2237 0.1050 0.047 Uiso 1 1 d R . .
H13C H 0.9267 0.1401 0.0767 0.047 Uiso 1 1 d R . .
O14 O 0.8458(4) 0.3253(3) 0.0550(2) 0.0431(8) Uani 1 1 d . . .
H14B H 0.8797 0.3911 0.0562 0.052 Uiso 1 1 d R . .
H14C H 0.7576 0.3070 0.0258 0.052 Uiso 1 1 d R . .
O15 O 0.0829(13) 0.7007(10) 0.1665(9) 0.051(3) Uani 0.30 1 d P . .
H15A H 0.0131 0.6604 0.1112 0.061 Uiso 0.30 1 d PR . .
H15B H 0.0670 0.6942 0.2199 0.061 Uiso 0.30 1 d PR . .
O16 O 0.3049(11) 0.9956(9) 0.4112(8) 0.040(2) Uani 0.30 1 d P . .
H16D H 0.2770 1.0182 0.4624 0.048 Uiso 0.30 1 d PR . .
H16B H 0.2350 0.9590 0.3549 0.048 Uiso 0.30 1 d PR . .
O17 O 0.5617(13) 0.8893(10) 0.3879(10) 0.050(3) Uani 0.30 1 d P . .
H17A H 0.5687 0.9531 0.4333 0.060 Uiso 0.30 1 d PR . .
H17C H 0.6072 0.9001 0.3493 0.060 Uiso 0.30 1 d PR . .
O18 O 0.7140(8) 0.2405(6) 0.5010(5) 0.0463(17) Uani 0.50 1 d P . .
H18A H 0.6425 0.1844 0.4772 0.056 Uiso 0.50 1 d PR . .
H18C H 0.7836 0.2122 0.5072 0.056 Uiso 0.50 1 d PR . .
O19 O 0.0965(12) 0.1725(10) 0.5639(9) 0.046(3) Uani 0.30 1 d P . .
H19D H 0.1195 0.2400 0.5649 0.055 Uiso 0.30 1 d PR . .
H19B H 0.0479 0.1275 0.5013 0.055 Uiso 0.30 1 d PR . .
O20 O 0.1279(13) 0.1438(10) 0.7390(9) 0.046(3) Uani 0.30 1 d P . .
H20A H 0.1010 0.0730 0.7270 0.056 Uiso 0.30 1 d PR . .
H20B H 0.2137 0.1691 0.7777 0.056 Uiso 0.30 1 d PR . .
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'
Dy Dy -0.1892 4.4098 '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
N1 C3 N4 108.2(4) . .
N1 C3 C2 127.1(5) . .
N4 C3 C2 124.7(5) . .
C1 C2 C3 117.2(4) . .
C1 C2 H2A 108.0 . .
C3 C2 H2A 108.0 . .
C1 C2 H2B 108.0 . .
C3 C2 H2B 108.0 . .
H2A C2 H2B 107.2 . .
O1 C1 O2 121.3(5) . .
O1 C1 C2 116.3(4) . .
O2 C1 C2 122.4(5) . .
O1 C1 Dy2 56.6(3) . .
O2 C1 Dy2 64.8(3) . .
C2 C1 Dy2 172.4(4) . .
N8 C6 N5 109.1(5) . .
N8 C6 C5 124.9(5) . .
N5 C6 C5 125.6(4) . .
C4 C5 C6 114.8(5) . .
C4 C5 H5A 108.6 . .
C6 C5 H5A 108.6 . .
C4 C5 H5B 108.6 . .
C6 C5 H5B 108.6 . .
H5A C5 H5B 107.5 . .
O3 C4 O4 123.6(5) . .
O3 C4 C5 113.7(4) . .
O4 C4 C5 122.3(4) . .
N12 C9 N9 113.3(5) . .
N12 C9 C8 123.7(5) . .
N9 C9 C8 123.0(5) . .
C7 C8 C9 122.7(5) . .
C7 C8 H8A 106.6 . .
C9 C8 H8A 106.6 . .
C7 C8 H8B 106.6 . .
C9 C8 H8B 106.6 . .
H8A C8 H8B 106.6 . .
O6 C7 O5 122.2(5) . .
O6 C7 C8 119.2(5) . .
O5 C7 C8 118.6(5) . .
O6 Dy1 O4 77.59(13) . .
O6 Dy1 O2 140.82(12) . .
O4 Dy1 O2 139.96(12) . .
O6 Dy1 O9 80.27(13) . .
O4 Dy1 O9 78.51(13) . .
O2 Dy1 O9 112.39(12) . .
O6 Dy1 O10 71.96(13) . .
O4 Dy1 O10 115.58(12) . .
O2 Dy1 O10 78.77(12) . .
O9 Dy1 O10 144.30(13) . .
O6 Dy1 N1 119.78(14) . .
O4 Dy1 N1 76.45(14) . .
O2 Dy1 N1 73.05(13) . .
O9 Dy1 N1 142.91(14) . .
O10 Dy1 N1 72.20(14) . .
O6 Dy1 N9 73.84(13) . .
O4 Dy1 N9 142.07(14) . .
O2 Dy1 N9 75.23(13) . .
O9 Dy1 N9 72.55(13) . .
O10 Dy1 N9 78.40(14) . .
N1 Dy1 N9 140.07(15) . .
O6 Dy1 N5 143.60(13) . .
O4 Dy1 N5 72.85(14) . .
O2 Dy1 N5 73.93(13) . .
O9 Dy1 N5 73.50(14) . .
O10 Dy1 N5 140.78(14) . .
N1 Dy1 N5 73.22(15) . .
N9 Dy1 N5 119.79(14) . .
O3 Dy2 O14 92.67(13) 1_655 .
O3 Dy2 O11 98.39(13) 1_655 .
O14 Dy2 O11 147.69(12) . .
O3 Dy2 O13 84.77(12) 1_655 .
O14 Dy2 O13 70.32(12) . .
O11 Dy2 O13 140.66(12) . .
O3 Dy2 O12 79.01(13) 1_655 .
O14 Dy2 O12 140.96(12) . .
O11 Dy2 O12 71.23(12) . .
O13 Dy2 O12 70.96(12) . .
O3 Dy2 O1 72.22(12) 1_655 .
O14 Dy2 O1 77.54(12) . .
O11 Dy2 O1 77.16(11) . .
O13 Dy2 O1 139.29(11) . .
O12 Dy2 O1 133.07(11) . .
O3 Dy2 N10 164.12(14) 1_655 .
O14 Dy2 N10 89.21(14) . .
O11 Dy2 N10 88.24(13) . .
O13 Dy2 N10 81.02(13) . .
O12 Dy2 N10 89.62(14) . .
O1 Dy2 N10 123.51(13) . .
O3 Dy2 O2 124.07(12) 1_655 .
O14 Dy2 O2 74.84(12) . .
O11 Dy2 O2 73.81(12) . .
O13 Dy2 O2 135.52(11) . .
O12 Dy2 O2 140.60(12) . .
O1 Dy2 O2 51.91(11) . .
N10 Dy2 O2 71.60(13) . .
O3 Dy2 C1 97.75(14) 1_655 .
O14 Dy2 C1 73.89(13) . .
O11 Dy2 C1 74.58(13) . .
O13 Dy2 C1 144.21(13) . .
O12 Dy2 C1 144.71(13) . .
O1 Dy2 C1 25.60(12) . .
N10 Dy2 C1 97.92(14) . .
O2 Dy2 C1 26.33(12) . .
C3 N1 N2 106.6(4) . .
C3 N1 Dy1 126.8(3) . .
N2 N1 Dy1 125.0(3) . .
N3 N2 N1 108.0(4) . .
N2 N3 N4 110.5(4) . .
N3 N4 C3 106.3(4) . .
N6 N5 C6 105.6(4) . .
N6 N5 Dy1 125.9(3) . .
C6 N5 Dy1 127.1(3) . .
N5 N6 N7 110.6(4) . .
N8 N7 N6 107.1(4) . .
C6 N8 N7 107.5(4) . .
N10 N9 C9 102.6(4) . .
N10 N9 Dy1 128.4(3) . .
C9 N9 Dy1 127.5(3) . .
N11 N10 N9 112.8(4) . .
N11 N10 Dy2 118.2(3) . .
N9 N10 Dy2 128.1(3) . .
N10 N11 N12 106.2(4) . .
C9 N12 N11 104.7(4) . .
C1 O2 Dy1 135.6(3) . .
C1 O2 Dy2 88.9(3) . .
Dy1 O2 Dy2 129.51(14) . .
C1 O1 Dy2 97.8(3) . .
C4 O4 Dy1 141.1(3) . .
C4 O3 Dy2 140.9(3) . 1_455
C7 O6 Dy1 142.8(4) . .
Dy1 O9 H9B 105.5 . .
Dy1 O9 H9C 105.5 . .
H9B O9 H9C 106.1 . .
Dy1 O10 H10A 109.6 . .
Dy1 O10 H10C 109.4 . .
H10A O10 H10C 109.5 . .
Dy2 O11 H11B 107.5 . .
Dy2 O11 H11C 107.8 . .
H11B O11 H11C 107.1 . .
Dy2 O12 H12A 106.2 . .
Dy2 O12 H12C 105.9 . .
H12A O12 H12C 106.3 . .
Dy2 O13 H13B 109.6 . .
Dy2 O13 H13C 109.6 . .
H13B O13 H13C 109.5 . .
Dy2 O14 H14B 109.5 . .
Dy2 O14 H14C 109.6 . .
H14B O14 H14C 109.5 . .
H15A O15 H15B 109.5 . .
H16D O16 H16B 109.5 . .
H17A O17 H17C 109.5 . .
H18A O18 H18C 106.0 . .
H19D O19 H19B 109.5 . .
H20A O20 H20B 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C3 N1 1.357(7) .
C3 N4 1.387(7) .
C3 C2 1.493(7) .
C2 C1 1.484(7) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C1 O1 1.250(6) .
C1 O2 1.272(6) .
C1 Dy2 2.867(5) .
C6 N8 1.300(6) .
C6 N5 1.373(7) .
C6 C5 1.511(8) .
C5 C4 1.509(7) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C4 O3 1.243(6) .
C4 O4 1.250(6) .
C9 N12 1.281(7) .
C9 N9 1.334(6) .
C9 C8 1.503(7) .
C8 C7 1.442(8) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C7 O6 1.235(6) .
C7 O5 1.278(6) .
Dy1 O6 2.280(3) .
Dy1 O4 2.325(3) .
Dy1 O2 2.357(3) .
Dy1 O9 2.359(3) .
Dy1 O10 2.382(3) .
Dy1 N1 2.476(4) .
Dy1 N9 2.496(4) .
Dy1 N5 2.514(4) .
Dy2 O3 2.285(3) 1_655
Dy2 O14 2.324(3) .
Dy2 O11 2.353(3) .
Dy2 O13 2.370(3) .
Dy2 O12 2.379(3) .
Dy2 O1 2.417(3) .
Dy2 N10 2.511(4) .
Dy2 O2 2.594(3) .
N1 N2 1.374(6) .
N2 N3 1.327(6) .
N3 N4 1.330(6) .
N5 N6 1.281(6) .
N6 N7 1.336(6) .
N7 N8 1.331(6) .
N9 N10 1.324(6) .
N10 N11 1.277(6) .
N11 N12 1.390(6) .
O3 Dy2 2.285(3) 1_455
O9 H9B 0.8499 .
O9 H9C 0.8500 .
O10 H10A 0.8500 .
O10 H10C 0.8499 .
O11 H11B 0.8500 .
O11 H11C 0.8500 .
O12 H12A 0.8500 .
O12 H12C 0.8500 .
O13 H13B 0.8500 .
O13 H13C 0.8500 .
O14 H14B 0.8500 .
O14 H14C 0.8499 .
O15 H15A 0.8500 .
O15 H15B 0.8501 .
O16 H16D 0.8500 .
O16 H16B 0.8500 .
O17 H17A 0.8501 .
O17 H17C 0.8499 .
O18 H18A 0.8499 .
O18 H18C 0.8500 .
O19 H19D 0.8500 .
O19 H19B 0.8500 .
O20 H20A 0.8501 .
O20 H20B 0.8499 .
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
N1 C3 C2 C1 39.7(8) . . . .
N4 C3 C2 C1 -141.5(5) . . . .
C3 C2 C1 O1 161.9(5) . . . .
C3 C2 C1 O2 -18.2(8) . . . .
C3 C2 C1 Dy2 142(3) . . . .
N8 C6 C5 C4 -142.7(6) . . . .
N5 C6 C5 C4 44.4(8) . . . .
C6 C5 C4 O3 155.4(5) . . . .
C6 C5 C4 O4 -32.0(7) . . . .
N12 C9 C8 C7 -142.9(6) . . . .
N9 C9 C8 C7 38.2(8) . . . .
C9 C8 C7 O6 -26.6(8) . . . .
C9 C8 C7 O5 153.9(5) . . . .
O1 C1 Dy2 O3 -4.2(3) . . . 1_655
O2 C1 Dy2 O3 178.8(3) . . . 1_655
C2 C1 Dy2 O3 17(3) . . . 1_655
O1 C1 Dy2 O14 -94.8(3) . . . .
O2 C1 Dy2 O14 88.3(3) . . . .
C2 C1 Dy2 O14 -73(3) . . . .
O1 C1 Dy2 O11 92.4(3) . . . .
O2 C1 Dy2 O11 -84.6(3) . . . .
C2 C1 Dy2 O11 114(3) . . . .
O1 C1 Dy2 O13 -96.0(3) . . . .
O2 C1 Dy2 O13 87.0(3) . . . .
C2 C1 Dy2 O13 -74(3) . . . .
O1 C1 Dy2 O12 77.7(4) . . . .
O2 C1 Dy2 O12 -99.3(3) . . . .
C2 C1 Dy2 O12 99(3) . . . .
O2 C1 Dy2 O1 -177.0(5) . . . .
C2 C1 Dy2 O1 22(3) . . . .
O1 C1 Dy2 N10 178.4(3) . . . .
O2 C1 Dy2 N10 1.4(3) . . . .
C2 C1 Dy2 N10 -160(3) . . . .
O1 C1 Dy2 O2 177.0(5) . . . .
C2 C1 Dy2 O2 -161(3) . . . .
N4 C3 N1 N2 0.2(6) . . . .
C2 C3 N1 N2 179.2(5) . . . .
N4 C3 N1 Dy1 166.4(3) . . . .
C2 C3 N1 Dy1 -14.6(8) . . . .
O6 Dy1 N1 C3 -154.8(4) . . . .
O4 Dy1 N1 C3 138.3(4) . . . .
O2 Dy1 N1 C3 -15.4(4) . . . .
O9 Dy1 N1 C3 89.5(5) . . . .
O10 Dy1 N1 C3 -98.7(4) . . . .
N9 Dy1 N1 C3 -54.2(5) . . . .
N5 Dy1 N1 C3 62.4(4) . . . .
O6 Dy1 N1 N2 9.0(4) . . . .
O4 Dy1 N1 N2 -57.9(4) . . . .
O2 Dy1 N1 N2 148.4(4) . . . .
O9 Dy1 N1 N2 -106.7(4) . . . .
O10 Dy1 N1 N2 65.1(4) . . . .
N9 Dy1 N1 N2 109.6(4) . . . .
N5 Dy1 N1 N2 -133.7(4) . . . .
C3 N1 N2 N3 -4.1(6) . . . .
Dy1 N1 N2 N3 -170.6(3) . . . .
N1 N2 N3 N4 6.6(6) . . . .
N2 N3 N4 C3 -6.4(6) . . . .
N1 C3 N4 N3 3.7(6) . . . .
C2 C3 N4 N3 -175.3(5) . . . .
N8 C6 N5 N6 2.4(7) . . . .
C5 C6 N5 N6 176.2(6) . . . .
N8 C6 N5 Dy1 169.4(4) . . . .
C5 C6 N5 Dy1 -16.8(8) . . . .
O6 Dy1 N5 N6 115.3(4) . . . .
O4 Dy1 N5 N6 152.4(5) . . . .
O2 Dy1 N5 N6 -50.3(4) . . . .
O9 Dy1 N5 N6 69.7(4) . . . .
O10 Dy1 N5 N6 -97.9(5) . . . .
N1 Dy1 N5 N6 -127.0(5) . . . .
N9 Dy1 N5 N6 11.7(5) . . . .
O6 Dy1 N5 C6 -49.2(6) . . . .
O4 Dy1 N5 C6 -12.1(4) . . . .
O2 Dy1 N5 C6 145.3(5) . . . .
O9 Dy1 N5 C6 -94.8(5) . . . .
O10 Dy1 N5 C6 97.6(5) . . . .
N1 Dy1 N5 C6 68.6(5) . . . .
N9 Dy1 N5 C6 -152.8(4) . . . .
C6 N5 N6 N7 -2.2(6) . . . .
Dy1 N5 N6 N7 -169.4(3) . . . .
N5 N6 N7 N8 1.2(6) . . . .
N5 C6 N8 N7 -1.7(7) . . . .
C5 C6 N8 N7 -175.5(6) . . . .
N6 N7 N8 C6 0.4(6) . . . .
N12 C9 N9 N10 -0.6(6) . . . .
C8 C9 N9 N10 178.4(5) . . . .
N12 C9 N9 Dy1 166.3(4) . . . .
C8 C9 N9 Dy1 -14.7(8) . . . .
O6 Dy1 N9 N10 155.6(4) . . . .
O4 Dy1 N9 N10 -161.8(3) . . . .
O2 Dy1 N9 N10 -0.1(4) . . . .
O9 Dy1 N9 N10 -119.8(4) . . . .
O10 Dy1 N9 N10 81.2(4) . . . .
N1 Dy1 N9 N10 38.2(5) . . . .
N5 Dy1 N9 N10 -61.3(4) . . . .
O6 Dy1 N9 C9 -8.0(4) . . . .
O4 Dy1 N9 C9 34.6(5) . . . .
O2 Dy1 N9 C9 -163.7(5) . . . .
O9 Dy1 N9 C9 76.6(4) . . . .
O10 Dy1 N9 C9 -82.4(4) . . . .
N1 Dy1 N9 C9 -125.4(4) . . . .
N5 Dy1 N9 C9 135.1(4) . . . .
C9 N9 N10 N11 -3.7(6) . . . .
Dy1 N9 N10 N11 -170.5(3) . . . .
C9 N9 N10 Dy2 -172.2(4) . . . .
Dy1 N9 N10 Dy2 21.0(6) . . . .
O3 Dy2 N10 N11 -4.2(7) 1_655 . . .
O14 Dy2 N10 N11 92.8(4) . . . .
O11 Dy2 N10 N11 -119.4(4) . . . .
O13 Dy2 N10 N11 22.6(3) . . . .
O12 Dy2 N10 N11 -48.2(4) . . . .
O1 Dy2 N10 N11 167.2(3) . . . .
O2 Dy2 N10 N11 167.0(4) . . . .
C1 Dy2 N10 N11 166.4(4) . . . .
O3 Dy2 N10 N9 163.7(4) 1_655 . . .
O14 Dy2 N10 N9 -99.3(4) . . . .
O11 Dy2 N10 N9 48.5(4) . . . .
O13 Dy2 N10 N9 -169.5(4) . . . .
O12 Dy2 N10 N9 119.8(4) . . . .
O1 Dy2 N10 N9 -24.8(5) . . . .
O2 Dy2 N10 N9 -25.0(4) . . . .
C1 Dy2 N10 N9 -25.6(4) . . . .
N9 N10 N11 N12 6.2(6) . . . .
Dy2 N10 N11 N12 176.0(3) . . . .
N9 C9 N12 N11 4.2(6) . . . .
C8 C9 N12 N11 -174.8(5) . . . .
N10 N11 N12 C9 -6.2(6) . . . .
O1 C1 O2 Dy1 149.9(4) . . . .
C2 C1 O2 Dy1 -30.0(7) . . . .
Dy2 C1 O2 Dy1 152.9(4) . . . .
O1 C1 O2 Dy2 -3.0(5) . . . .
C2 C1 O2 Dy2 177.1(5) . . . .
O6 Dy1 O2 C1 156.7(4) . . . .
O4 Dy1 O2 C1 -1.9(5) . . . .
O9 Dy1 O2 C1 -100.8(4) . . . .
O10 Dy1 O2 C1 114.7(4) . . . .
N1 Dy1 O2 C1 40.1(4) . . . .
N9 Dy1 O2 C1 -164.4(5) . . . .
N5 Dy1 O2 C1 -36.8(4) . . . .
O6 Dy1 O2 Dy2 -59.5(3) . . . .
O4 Dy1 O2 Dy2 141.89(17) . . . .
O9 Dy1 O2 Dy2 43.0(2) . . . .
O10 Dy1 O2 Dy2 -101.50(19) . . . .
N1 Dy1 O2 Dy2 -176.1(2) . . . .
N9 Dy1 O2 Dy2 -20.69(17) . . . .
N5 Dy1 O2 Dy2 107.0(2) . . . .
O3 Dy2 O2 C1 -1.4(3) 1_655 . . .
O14 Dy2 O2 C1 -84.2(3) . . . .
O11 Dy2 O2 C1 87.9(3) . . . .
O13 Dy2 O2 C1 -123.5(3) . . . .
O12 Dy2 O2 C1 116.0(3) . . . .
O1 Dy2 O2 C1 1.7(3) . . . .
N10 Dy2 O2 C1 -178.5(3) . . . .
O3 Dy2 O2 Dy1 -156.97(16) 1_655 . . .
O14 Dy2 O2 Dy1 120.2(2) . . . .
O11 Dy2 O2 Dy1 -67.71(18) . . . .
O13 Dy2 O2 Dy1 80.9(2) . . . .
O12 Dy2 O2 Dy1 -39.5(3) . . . .
O1 Dy2 O2 Dy1 -153.9(2) . . . .
N10 Dy2 O2 Dy1 25.90(17) . . . .
C1 Dy2 O2 Dy1 -155.6(4) . . . .
O2 C1 O1 Dy2 3.2(5) . . . .
C2 C1 O1 Dy2 -176.9(4) . . . .
O3 Dy2 O1 C1 175.6(3) 1_655 . . .
O14 Dy2 O1 C1 78.7(3) . . . .
O11 Dy2 O1 C1 -81.1(3) . . . .
O13 Dy2 O1 C1 116.9(3) . . . .
O12 Dy2 O1 C1 -129.4(3) . . . .
N10 Dy2 O1 C1 -1.9(3) . . . .
O2 Dy2 O1 C1 -1.7(3) . . . .
O3 C4 O4 Dy1 160.9(3) . . . .
C5 C4 O4 Dy1 -11.0(8) . . . .
O6 Dy1 O4 C4 -172.9(5) . . . .
O2 Dy1 O4 C4 -6.6(6) . . . .
O9 Dy1 O4 C4 104.7(5) . . . .
O10 Dy1 O4 C4 -110.1(5) . . . .
N1 Dy1 O4 C4 -47.7(5) . . . .
N9 Dy1 O4 C4 145.4(5) . . . .
N5 Dy1 O4 C4 28.6(5) . . . .
O4 C4 O3 Dy2 18.5(8) . . . 1_455
C5 C4 O3 Dy2 -169.0(4) . . . 1_455
O5 C7 O6 Dy1 168.1(3) . . . .
C8 C7 O6 Dy1 -11.4(9) . . . .
O4 Dy1 O6 C7 -130.5(6) . . . .
O2 Dy1 O6 C7 63.4(6) . . . .
O9 Dy1 O6 C7 -50.2(6) . . . .
O10 Dy1 O6 C7 107.1(6) . . . .
N1 Dy1 O6 C7 163.2(6) . . . .
N9 Dy1 O6 C7 24.3(6) . . . .
N5 Dy1 O6 C7 -94.3(6) . . . .
