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#$Date: 2021-05-10 10:25:34 +0300 (Mon, 10 May 2021) $
#$Revision: 265065 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/24/1562451.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_1562451
loop_
_publ_author_name
'Liu, Sui-Jun'
'Jia, Ji-Min'
'Cui, Yu'
'Han, Song-De'
'Chang, Ze'
_publ_section_title
;
 Luminescent pillared LnIII--ZnII heterometallic coordination frameworks
 with two kinds of N-heterocyclic carboxylate ligands
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              58
_journal_page_last               63
_journal_paper_doi               10.1016/j.jssc.2014.01.003
_journal_volume                  212
_journal_year                    2014
_chemical_formula_sum            'C20 H28 Dy N3 O19 Zn'
_chemical_formula_weight         842.35
_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_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                86.24(3)
_cell_angle_beta                 81.85(3)
_cell_angle_gamma                89.07(3)
_cell_formula_units_Z            2
_cell_length_a                   10.660(2)
_cell_length_b                   11.377(2)
_cell_length_c                   12.509(3)
_cell_measurement_reflns_used    5205
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.01
_cell_measurement_theta_min      3.05
_cell_volume                     1498.5(5)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        CrystalClear
_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      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'SCX mini'
_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  0.0273
_diffrn_reflns_av_sigmaI/netI    0.0302
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            13069
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         3.03
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.360
_exptl_absorpt_correction_T_max  0.536
_exptl_absorpt_correction_T_min  0.478
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   CrystalClear
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.827
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             798
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.106
_refine_diff_density_min         -1.023
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.130
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         5278
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.130
_refine_ls_R_factor_all          0.0289
_refine_ls_R_factor_gt           0.0268
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0319P)²+3.1531P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0696
_refine_ls_wR_factor_ref         0.0705
_reflns_number_gt                5067
_reflns_number_total             5278
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2014-212-58.cif
_cod_data_source_block           4
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1562451
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
O10 O 0.5030(3) 0.3228(3) 0.6417(2) 0.0271(7) Uani 1 1 d . . .
O9 O 0.3074(3) 0.3886(3) 0.6391(2) 0.0305(7) Uani 1 1 d . . .
C20 C 0.3965(4) 0.3169(4) 0.6106(3) 0.0231(9) Uani 1 1 d . . .
Dy1 Dy 0.573313(16) 0.514081(14) 0.238131(13) 0.01257(7) Uani 1 1 d . . .
Zn1 Zn 0.36811(4) 1.16410(4) 0.20067(4) 0.01633(11) Uani 1 1 d . . .
C8 C 0.6208(4) 0.8855(3) 0.0890(3) 0.0141(8) Uani 1 1 d . . .
N3 N 0.3522(3) 0.1265(3) 0.3770(3) 0.0214(7) Uani 1 1 d . . .
C17 C 0.3011(7) 0.0135(5) 0.5455(4) 0.062(2) Uani 1 1 d . . .
H17 H 0.2756 -0.0576 0.5824 0.074 Uiso 1 1 calc R . .
C18 C 0.3272(7) 0.1084(5) 0.6019(4) 0.0537(17) Uani 1 1 d . . .
H18 H 0.3173 0.1021 0.6771 0.064 Uiso 1 1 calc R . .
C15 C 0.3818(4) 0.2179(3) 0.4323(3) 0.0179(8) Uani 1 1 d . . .
C19 C 0.3687(4) 0.2145(4) 0.5452(3) 0.0257(10) Uani 1 1 d . . .
C5 C 1.1680(4) 0.3479(4) 0.1471(4) 0.0320(11) Uani 1 1 d . . .
H5 H 1.2370 0.3834 0.1038 0.038 Uiso 1 1 calc R . .
C16 C 0.3134(6) 0.0251(4) 0.4333(4) 0.0407(13) Uani 1 1 d . . .
H16 H 0.2943 -0.0388 0.3959 0.049 Uiso 1 1 calc R . .
C4 C 1.0841(4) 0.1951(4) 0.2648(4) 0.0378(12) Uani 1 1 d . . .
H4 H 1.0946 0.1239 0.3035 0.045 Uiso 1 1 calc R . .
N1 N 1.1866(3) 0.2450(3) 0.2042(3) 0.0226(8) Uani 1 1 d . . .
C3 C 0.9643(4) 0.2448(4) 0.2722(4) 0.0372(12) Uani 1 1 d . . .
H3 H 0.8964 0.2077 0.3156 0.045 Uiso 1 1 calc R . .
C6 C 1.0511(4) 0.4017(4) 0.1510(4) 0.0328(11) Uani 1 1 d . . .
H6 H 1.0423 0.4725 0.1110 0.039 Uiso 1 1 calc R . .
O1 O 0.7227(3) 0.3588(3) 0.2812(2) 0.0252(7) Uani 1 1 d . . .
N2 N 0.5399(3) 1.0664(3) 0.1636(3) 0.0161(7) Uani 1 1 d . . .
C11 C 0.6598(4) 1.1066(4) 0.1561(4) 0.0243(9) Uani 1 1 d . . .
H11 H 0.6730 1.1806 0.1798 0.029 Uiso 1 1 calc R . .
C1 C 0.8167(4) 0.4077(3) 0.2198(3) 0.0209(9) Uani 1 1 d . . .
C13 C 0.3814(4) 0.9201(3) 0.1444(3) 0.0166(8) Uani 1 1 d . . .
C7 C 0.6000(3) 0.7620(3) 0.0553(3) 0.0146(8) Uani 1 1 d . . .
C14 C 0.4342(4) 0.3242(3) 0.3619(3) 0.0161(8) Uani 1 1 d . . .
C12 C 0.5198(4) 0.9576(3) 0.1315(3) 0.0143(8) Uani 1 1 d . . .
C9 C 0.7436(4) 0.9288(4) 0.0802(3) 0.0230(9) Uani 1 1 d . . .
H9 H 0.8120 0.8833 0.0517 0.028 Uiso 1 1 calc R . .
C2 C 0.9461(4) 0.3505(4) 0.2144(3) 0.0221(9) Uani 1 1 d . . .
C10 C 0.7639(4) 1.0402(4) 0.1140(4) 0.0274(10) Uani 1 1 d . . .
H10 H 0.8456 1.0698 0.1085 0.033 Uiso 1 1 calc R . .
O1W O 0.3631(3) 0.5683(3) 0.2030(3) 0.0330(7) Uani 1 1 d . . .
O4W O 0.1927(4) 0.6914(4) 0.0191(4) 0.0672(13) Uani 1 1 d . . .
O6W O 0.2711(4) 0.7180(4) 0.4932(3) 0.0647(12) Uani 1 1 d . . .
O9W O 0.0477(6) 0.2889(6) 0.8823(10) 0.184(5) Uani 1 1 d . . .
O5W O 0.0363(6) 0.9053(6) 0.2244(7) 0.129(3) Uani 1 1 d . . .
O6 O 0.6079(3) 0.6801(2) 0.1260(2) 0.0255(7) Uani 1 1 d . . .
O3 O 0.2988(3) 0.9984(2) 0.1748(2) 0.0222(6) Uani 1 1 d . . .
O5 O 0.5826(3) 0.7485(2) -0.0411(2) 0.0204(6) Uani 1 1 d . . .
O2 O 0.8019(3) 0.5026(2) 0.1641(2) 0.0248(6) Uani 1 1 d . . .
O7 O 0.4472(3) 0.3179(2) 0.2591(2) 0.0187(6) Uani 1 1 d . . .
O8 O 0.4682(3) 0.4128(2) 0.4048(2) 0.0235(6) Uani 1 1 d . . .
O2W O 0.5875(3) 0.4269(3) 0.0680(2) 0.0301(7) Uani 1 1 d . . .
O4 O 0.3577(3) 0.8173(2) 0.1251(3) 0.0289(7) Uani 1 1 d . . .
O7W O 0.1633(6) 0.5416(8) 0.3698(5) 0.137(3) Uani 1 1 d . . .
O8W O 0.0882(10) 0.3783(12) 0.5429(12) 0.245(6) Uani 1 1 d . . .
O3W O 0.9635(9) 0.1484(13) 0.5468(8) 0.221(6) 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'
Dy Dy -0.1892 4.4098 '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'
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
C20 O10 Dy1 91.3(2) . 2_666
C20 O9 Dy1 93.8(2) . 2_666
O10 C20 O9 122.0(4) . .
O10 C20 C19 119.3(4) . .
O9 C20 C19 118.5(4) . .
O10 C20 Dy1 62.5(2) . 2_666
O9 C20 Dy1 59.7(2) . 2_666
C19 C20 Dy1 170.6(3) . 2_666
O6 Dy1 O2W 81.02(11) . .
O6 Dy1 O1W 77.36(12) . .
O2W Dy1 O1W 83.70(11) . .
O6 Dy1 O1 129.24(10) . .
O2W Dy1 O1 84.49(11) . .
O1W Dy1 O1 148.42(10) . .
O6 Dy1 O8 150.50(10) . .
O2W Dy1 O8 121.28(10) . .
O1W Dy1 O8 85.72(11) . .
O1 Dy1 O8 75.69(10) . .
O6 Dy1 O9 86.22(11) . 2_666
O2W Dy1 O9 144.83(11) . 2_666
O1W Dy1 O9 125.22(11) . 2_666
O1 Dy1 O9 78.53(11) . 2_666
O8 Dy1 O9 84.04(10) . 2_666
O6 Dy1 O2 75.82(11) . .
O2W Dy1 O2 72.85(11) . .
O1W Dy1 O2 146.63(11) . .
O1 Dy1 O2 53.43(9) . .
O8 Dy1 O2 126.66(10) . .
O9 Dy1 O2 72.27(10) 2_666 .
O6 Dy1 O10 76.51(10) . 2_666
O2W Dy1 O10 150.26(11) . 2_666
O1W Dy1 O10 72.62(11) . 2_666
O1 Dy1 O10 124.94(10) . 2_666
O8 Dy1 O10 75.44(10) . 2_666
O9 Dy1 O10 52.71(10) 2_666 2_666
O2 Dy1 O10 119.07(10) . 2_666
O6 Dy1 O7 141.02(10) . .
O2W Dy1 O7 69.54(10) . .
O1W Dy1 O7 74.59(10) . .
O1 Dy1 O7 73.84(9) . .
O8 Dy1 O7 51.98(9) . .
O9 Dy1 O7 132.30(10) 2_666 .
O2 Dy1 O7 116.74(9) . .
O10 Dy1 O7 118.94(9) 2_666 .
O6 Dy1 C20 79.22(11) . 2_666
O2W Dy1 C20 159.02(11) . 2_666
O1W Dy1 C20 98.72(12) . 2_666
O1 Dy1 C20 102.69(12) . 2_666
O8 Dy1 C20 79.69(10) . 2_666
O9 Dy1 C20 26.51(12) 2_666 2_666
O2 Dy1 C20 95.41(12) . 2_666
O10 Dy1 C20 26.25(12) 2_666 2_666
O7 Dy1 C20 131.29(10) . 2_666
O3 Zn1 N1 92.75(12) . 1_465
O3 Zn1 N2 78.48(11) . .
N1 Zn1 N2 166.62(13) 1_465 .
O3 Zn1 O7 168.13(11) . 1_565
N1 Zn1 O7 92.19(12) 1_465 1_565
N2 Zn1 O7 98.38(11) . 1_565
O3 Zn1 O5 105.76(11) . 2_675
N1 Zn1 O5 87.26(13) 1_465 2_675
N2 Zn1 O5 85.47(12) . 2_675
O7 Zn1 O5 85.25(10) 1_565 2_675
O3 Zn1 N3 93.19(12) . 1_565
N1 Zn1 N3 95.29(14) 1_465 1_565
N2 Zn1 N3 95.27(13) . 1_565
O7 Zn1 N3 75.60(11) 1_565 1_565
O5 Zn1 N3 160.76(11) 2_675 1_565
C9 C8 C12 118.2(3) . .
C9 C8 C7 119.6(3) . .
C12 C8 C7 122.2(3) . .
C16 N3 C15 118.4(4) . .
C16 N3 Zn1 127.0(3) . 1_545
C15 N3 Zn1 114.5(2) . 1_545
C18 C17 C16 119.5(5) . .
C18 C17 H17 120.2 . .
C16 C17 H17 120.2 . .
C17 C18 C19 119.7(4) . .
C17 C18 H18 120.1 . .
C19 C18 H18 120.1 . .
N3 C15 C19 123.2(4) . .
N3 C15 C14 114.6(3) . .
C19 C15 C14 122.2(3) . .
C15 C19 C18 117.2(4) . .
C15 C19 C20 124.8(4) . .
C18 C19 C20 118.0(4) . .
N1 C5 C6 122.5(4) . .
N1 C5 H5 118.7 . .
C6 C5 H5 118.7 . .
N3 C16 C17 121.9(4) . .
N3 C16 H16 119.1 . .
C17 C16 H16 119.1 . .
N1 C4 C3 123.2(4) . .
N1 C4 H4 118.4 . .
C3 C4 H4 118.4 . .
C4 N1 C5 117.1(4) . .
C4 N1 Zn1 120.5(3) . 1_645
C5 N1 Zn1 122.4(3) . 1_645
C4 C3 C2 119.4(4) . .
C4 C3 H3 120.3 . .
C2 C3 H3 120.3 . .
C5 C6 C2 120.1(4) . .
C5 C6 H6 120.0 . .
C2 C6 H6 120.0 . .
C1 O1 Dy1 93.6(2) . .
C11 N2 C12 119.6(3) . .
C11 N2 Zn1 127.3(3) . .
C12 N2 Zn1 112.6(2) . .
N2 C11 C10 121.9(4) . .
N2 C11 H11 119.1 . .
C10 C11 H11 119.1 . .
O2 C1 O1 120.8(4) . .
O2 C1 C2 120.1(4) . .
O1 C1 C2 119.1(4) . .
O4 C13 O3 125.4(4) . .
O4 C13 C12 118.3(3) . .
O3 C13 C12 116.2(3) . .
O6 C7 O5 125.0(4) . .
O6 C7 C8 115.8(3) . .
O5 C7 C8 119.1(3) . .
O8 C14 O7 122.1(3) . .
O8 C14 C15 119.9(3) . .
O7 C14 C15 117.9(3) . .
N2 C12 C8 121.6(3) . .
N2 C12 C13 115.5(3) . .
C8 C12 C13 123.0(3) . .
C10 C9 C8 120.0(4) . .
C10 C9 H9 120.0 . .
C8 C9 H9 120.0 . .
C3 C2 C6 117.7(4) . .
C3 C2 C1 121.2(4) . .
C6 C2 C1 121.1(4) . .
C9 C10 C11 118.8(4) . .
C9 C10 H10 120.6 . .
C11 C10 H10 120.6 . .
C7 O6 Dy1 164.2(3) . .
C13 O3 Zn1 116.6(2) . .
C7 O5 Zn1 138.5(2) . 2_675
C1 O2 Dy1 92.2(2) . .
C14 O7 Zn1 116.5(2) . 1_545
C14 O7 Dy1 88.8(2) . .
Zn1 O7 Dy1 154.71(12) 1_545 .
C14 O8 Dy1 96.6(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O10 C20 1.255(5) .
O10 Dy1 2.517(3) 2_666
O9 C20 1.269(5) .
O9 Dy1 2.455(3) 2_666
C20 C19 1.523(6) .
C20 Dy1 2.838(4) 2_666
Dy1 O6 2.281(3) .
Dy1 O2W 2.391(3) .
Dy1 O1W 2.407(3) .
Dy1 O1 2.444(3) .
Dy1 O8 2.448(3) .
Dy1 O9 2.455(3) 2_666
Dy1 O2 2.485(3) .
Dy1 O10 2.517(3) 2_666
Dy1 O7 2.604(3) .
Dy1 C20 2.838(4) 2_666
Zn1 O3 2.096(3) .
Zn1 N1 2.125(3) 1_465
Zn1 N2 2.137(3) .
Zn1 O7 2.167(3) 1_565
Zn1 O5 2.170(3) 2_675
Zn1 N3 2.202(3) 1_565
C8 C9 1.393(6) .
C8 C12 1.408(5) .
C8 C7 1.521(5) .
N3 C16 1.350(6) .
N3 C15 1.352(5) .
N3 Zn1 2.202(3) 1_545
C17 C18 1.381(7) .
C17 C16 1.389(7) .
C17 H17 0.9300 .
C18 C19 1.404(6) .
C18 H18 0.9300 .
C15 C19 1.397(6) .
C15 C14 1.515(5) .
C5 N1 1.357(6) .
C5 C6 1.376(6) .
C5 H5 0.9300 .
C16 H16 0.9300 .
C4 N1 1.349(6) .
C4 C3 1.381(6) .
C4 H4 0.9300 .
N1 Zn1 2.125(3) 1_645
C3 C2 1.387(6) .
C3 H3 0.9300 .
C6 C2 1.390(6) .
C6 H6 0.9300 .
O1 C1 1.284(5) .
N2 C11 1.352(5) .
N2 C12 1.355(5) .
C11 C10 1.393(6) .
C11 H11 0.9300 .
C1 O2 1.266(5) .
C1 C2 1.511(6) .
C13 O4 1.247(5) .
C13 O3 1.280(5) .
C13 C12 1.525(5) .
C7 O6 1.252(5) .
C7 O5 1.266(5) .
C14 O8 1.254(5) .
C14 O7 1.281(5) .
C9 C10 1.392(6) .
C9 H9 0.9300 .
C10 H10 0.9300 .
O5 Zn1 2.170(3) 2_675
O7 Zn1 2.167(3) 1_545
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
Dy1 O10 C20 O9 4.8(4) 2_666 . . .
Dy1 O10 C20 C19 -169.5(3) 2_666 . . .
Dy1 O9 C20 O10 -4.9(4) 2_666 . . .
Dy1 O9 C20 C19 169.4(3) 2_666 . . .
C16 C17 C18 C19 -1.6(11) . . . .
C16 N3 C15 C19 -3.0(7) . . . .
Zn1 N3 C15 C19 175.1(3) 1_545 . . .
C16 N3 C15 C14 175.4(4) . . . .
Zn1 N3 C15 C14 -6.5(4) 1_545 . . .
N3 C15 C19 C18 2.5(7) . . . .
C14 C15 C19 C18 -175.8(5) . . . .
N3 C15 C19 C20 -177.7(4) . . . .
C14 C15 C19 C20 4.0(7) . . . .
C17 C18 C19 C15 -0.1(9) . . . .
C17 C18 C19 C20 -180.0(6) . . . .
O10 C20 C19 C15 -95.6(5) . . . .
O9 C20 C19 C15 89.9(5) . . . .
Dy1 C20 C19 C15 166.2(17) 2_666 . . .
O10 C20 C19 C18 84.2(6) . . . .
O9 C20 C19 C18 -90.2(6) . . . .
Dy1 C20 C19 C18 -14(2) 2_666 . . .
C15 N3 C16 C17 1.2(8) . . . .
Zn1 N3 C16 C17 -176.7(5) 1_545 . . .
C18 C17 C16 N3 1.1(11) . . . .
C3 C4 N1 C5 -1.1(8) . . . .
C3 C4 N1 Zn1 178.6(4) . . . 1_645
C6 C5 N1 C4 1.0(7) . . . .
C6 C5 N1 Zn1 -178.7(4) . . . 1_645
N1 C4 C3 C2 0.6(9) . . . .
N1 C5 C6 C2 -0.4(8) . . . .
O6 Dy1 O1 C1 0.1(3) . . . .
O2W Dy1 O1 C1 73.8(2) . . . .
O1W Dy1 O1 C1 142.2(3) . . . .
O8 Dy1 O1 C1 -162.0(2) . . . .
O9 Dy1 O1 C1 -75.3(2) 2_666 . . .
O2 Dy1 O1 C1 1.0(2) . . . .
O10 Dy1 O1 C1 -101.6(2) 2_666 . . .
O7 Dy1 O1 C1 144.0(2) . . . .
C20 Dy1 O1 C1 -86.3(2) 2_666 . . .
O3 Zn1 N2 C11 178.0(4) . . . .
N1 Zn1 N2 C11 128.2(6) 1_465 . . .
O7 Zn1 N2 C11 -13.6(3) 1_565 . . .
O5 Zn1 N2 C11 70.9(3) 2_675 . . .
N3 Zn1 N2 C11 -89.8(3) 1_565 . . .
O3 Zn1 N2 C12 6.9(2) . . . .
N1 Zn1 N2 C12 -42.9(7) 1_465 . . .
O7 Zn1 N2 C12 175.3(2) 1_565 . . .
O5 Zn1 N2 C12 -100.2(3) 2_675 . . .
N3 Zn1 N2 C12 99.1(3) 1_565 . . .
C12 N2 C11 C10 1.5(6) . . . .
Zn1 N2 C11 C10 -169.1(3) . . . .
Dy1 O1 C1 O2 -1.9(4) . . . .
Dy1 O1 C1 C2 178.2(3) . . . .
C9 C8 C7 O6 85.5(4) . . . .
C12 C8 C7 O6 -93.1(4) . . . .
C9 C8 C7 O5 -91.2(5) . . . .
C12 C8 C7 O5 90.2(4) . . . .
N3 C15 C14 O8 -178.0(4) . . . .
C19 C15 C14 O8 0.5(6) . . . .
N3 C15 C14 O7 -1.0(5) . . . .
C19 C15 C14 O7 177.5(4) . . . .
C11 N2 C12 C8 -0.9(5) . . . .
Zn1 N2 C12 C8 171.0(3) . . . .
C11 N2 C12 C13 179.4(3) . . . .
Zn1 N2 C12 C13 -8.8(4) . . . .
C9 C8 C12 N2 -0.2(5) . . . .
C7 C8 C12 N2 178.5(3) . . . .
C9 C8 C12 C13 179.6(3) . . . .
C7 C8 C12 C13 -1.8(5) . . . .
O4 C13 C12 N2 -173.9(3) . . . .
O3 C13 C12 N2 5.9(5) . . . .
O4 C13 C12 C8 6.4(5) . . . .
O3 C13 C12 C8 -173.9(3) . . . .
C12 C8 C9 C10 0.7(6) . . . .
C7 C8 C9 C10 -178.0(4) . . . .
C4 C3 C2 C6 0.1(8) . . . .
C4 C3 C2 C1 179.8(5) . . . .
C5 C6 C2 C3 -0.1(7) . . . .
C5 C6 C2 C1 -179.9(4) . . . .
O2 C1 C2 C3 -178.2(4) . . . .
O1 C1 C2 C3 1.7(6) . . . .
O2 C1 C2 C6 1.6(6) . . . .
O1 C1 C2 C6 -178.6(4) . . . .
C8 C9 C10 C11 -0.1(6) . . . .
N2 C11 C10 C9 -0.9(7) . . . .
O5 C7 O6 Dy1 -48.0(12) . . . .
C8 C7 O6 Dy1 135.5(9) . . . .
O2W Dy1 O6 C7 57.4(10) . . . .
O1W Dy1 O6 C7 -28.1(10) . . . .
O1 Dy1 O6 C7 132.7(10) . . . .
O8 Dy1 O6 C7 -84.6(10) . . . .
O9 Dy1 O6 C7 -155.5(10) 2_666 . . .
O2 Dy1 O6 C7 131.9(10) . . . .
O10 Dy1 O6 C7 -103.0(10) 2_666 . . .
O7 Dy1 O6 C7 16.7(11) . . . .
C20 Dy1 O6 C7 -129.7(10) 2_666 . . .
O4 C13 O3 Zn1 -179.9(3) . . . .
C12 C13 O3 Zn1 0.4(4) . . . .
N1 Zn1 O3 C13 166.0(3) 1_465 . . .
N2 Zn1 O3 C13 -3.8(3) . . . .
O7 Zn1 O3 C13 -79.5(6) 1_565 . . .
O5 Zn1 O3 C13 78.0(3) 2_675 . . .
N3 Zn1 O3 C13 -98.6(3) 1_565 . . .
O6 C7 O5 Zn1 -149.1(3) . . . 2_675
C8 C7 O5 Zn1 27.3(6) . . . 2_675
O1 C1 O2 Dy1 1.9(4) . . . .
C2 C1 O2 Dy1 -178.2(3) . . . .
O6 Dy1 O2 C1 178.2(3) . . . .
O2W Dy1 O2 C1 -97.0(2) . . . .
O1W Dy1 O2 C1 -144.4(2) . . . .
O1 Dy1 O2 C1 -1.1(2) . . . .
O8 Dy1 O2 C1 19.6(3) . . . .
O9 Dy1 O2 C1 87.6(2) 2_666 . . .
O10 Dy1 O2 C1 112.7(2) 2_666 . . .
O7 Dy1 O2 C1 -41.4(3) . . . .
C20 Dy1 O2 C1 100.7(2) 2_666 . . .
O8 C14 O7 Zn1 -175.0(3) . . . 1_545
C15 C14 O7 Zn1 8.1(4) . . . 1_545
O8 C14 O7 Dy1 7.0(4) . . . .
C15 C14 O7 Dy1 -169.9(3) . . . .
O6 Dy1 O7 C14 -146.1(2) . . . .
O2W Dy1 O7 C14 170.5(2) . . . .
O1W Dy1 O7 C14 -100.6(2) . . . .
O1 Dy1 O7 C14 80.4(2) . . . .
O8 Dy1 O7 C14 -3.9(2) . . . .
O9 Dy1 O7 C14 23.3(3) 2_666 . . .
O2 Dy1 O7 C14 113.2(2) . . . .
O10 Dy1 O7 C14 -41.0(2) 2_666 . . .
C20 Dy1 O7 C14 -12.5(3) 2_666 . . .
O6 Dy1 O7 Zn1 38.1(4) . . . 1_545
O2W Dy1 O7 Zn1 -5.3(3) . . . 1_545
O1W Dy1 O7 Zn1 83.6(3) . . . 1_545
O1 Dy1 O7 Zn1 -95.4(3) . . . 1_545
O8 Dy1 O7 Zn1 -179.7(4) . . . 1_545
O9 Dy1 O7 Zn1 -152.5(3) 2_666 . . 1_545
O2 Dy1 O7 Zn1 -62.6(3) . . . 1_545
O10 Dy1 O7 Zn1 143.2(3) 2_666 . . 1_545
C20 Dy1 O7 Zn1 171.7(3) 2_666 . . 1_545
O7 C14 O8 Dy1 -7.5(4) . . . .
C15 C14 O8 Dy1 169.3(3) . . . .
O6 Dy1 O8 C14 132.4(3) . . . .
O2W Dy1 O8 C14 -2.2(3) . . . .
O1W Dy1 O8 C14 77.7(2) . . . .
O1 Dy1 O8 C14 -76.5(2) . . . .
O9 Dy1 O8 C14 -156.2(2) 2_666 . . .
O2 Dy1 O8 C14 -93.5(2) . . . .
O10 Dy1 O8 C14 150.9(3) 2_666 . . .
O7 Dy1 O8 C14 4.0(2) . . . .
C20 Dy1 O8 C14 177.4(3) 2_666 . . .
