#------------------------------------------------------------------------------
#$Date: 2021-04-26 12:22:58 +0300 (Mon, 26 Apr 2021) $
#$Revision: 264540 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/21/1562109.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_1562109
loop_
_publ_author_name
'Fang, Ming'
'Li, Xiuhua'
'Cui, Ping'
'Zhao, Bin'
_publ_section_title
;
 Ferromagnetic interactions and slow magnetic relaxation behaviors of two
 lanthanide coordination polymers bridged by 2,6-naphthalenedicarboxylate
 ligand
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              138
_journal_page_last               143
_journal_paper_doi               10.1016/j.jssc.2014.07.020
_journal_volume                  223
_journal_year                    2015
_chemical_formula_sum            'C36 H21 Dy N2 O8'
_chemical_formula_weight         772.05
_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
_cell_angle_alpha                94.301(3)
_cell_angle_beta                 106.530(4)
_cell_angle_gamma                101.281(3)
_cell_formula_units_Z            2
_cell_length_a                   10.8237(11)
_cell_length_b                   12.1862(13)
_cell_length_c                   12.2493(12)
_cell_measurement_reflns_used    10624
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.05
_cell_volume                     1504.2(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_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 0.993
_diffrn_measured_fraction_theta_max 0.993
_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     0.71075
_diffrn_reflns_av_R_equivalents  0.0457
_diffrn_reflns_av_sigmaI/netI    0.0705
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            9271
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         3.05
_diffrn_standards_decay_%        .
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_number         .
_exptl_absorpt_coefficient_mu    2.543
_exptl_absorpt_correction_T_max  0.6302
_exptl_absorpt_correction_T_min  0.6302
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            block
_exptl_crystal_density_diffrn    1.705
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       colorless
_exptl_crystal_F_000             762
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.119
_refine_diff_density_min         -1.286
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.107
_refine_ls_hydrogen_treatment    constra
_refine_ls_matrix_type           full
_refine_ls_number_parameters     424
_refine_ls_number_reflns         5269
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.107
_refine_ls_R_factor_all          0.0540
_refine_ls_R_factor_gt           0.0448
_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)+(0.0529P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0980
_refine_ls_wR_factor_ref         0.1114
_reflns_number_gt                4717
_reflns_number_total             5269
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2015-223-138.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

data item '_exptl_crystal_density_meas' value 'none' was changed to
'?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1562109
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
Dy1 Dy 0.08325(3) 0.30978(2) 0.49819(2) 0.02501(12) Uani 1 1 d . . .
C1 C 0.3515(8) 0.5339(6) 0.5651(6) 0.0426(18) Uani 1 1 d . . .
H1 H 0.2873 0.5682 0.5230 0.051 Uiso 1 1 calc R . .
C2 C 0.4807(8) 0.5967(6) 0.6082(7) 0.056(2) Uani 1 1 d . . .
H2 H 0.5010 0.6713 0.5952 0.067 Uiso 1 1 calc R . .
C3 C 0.5778(8) 0.5499(7) 0.6691(7) 0.054(2) Uani 1 1 d . . .
H3 H 0.6649 0.5912 0.6971 0.065 Uiso 1 1 calc R . .
C4 C 0.5436(7) 0.4375(6) 0.6891(6) 0.0448(18) Uani 1 1 d . . .
C5 C 0.4106(6) 0.3789(5) 0.6437(5) 0.0332(15) Uani 1 1 d . . .
C6 C 0.3722(7) 0.2638(6) 0.6635(5) 0.0352(16) Uani 1 1 d . . .
C7 C 0.2086(8) 0.1065(5) 0.6436(6) 0.0381(17) Uani 1 1 d . . .
H7 H 0.1200 0.0692 0.6151 0.046 Uiso 1 1 calc R . .
C8 C 0.2978(8) 0.0505(7) 0.7064(7) 0.051(2) Uani 1 1 d . . .
H8 H 0.2687 -0.0225 0.7206 0.061 Uiso 1 1 calc R . .
C9 C 0.4266(8) 0.1017(7) 0.7468(7) 0.054(2) Uani 1 1 d . . .
H9 H 0.4874 0.0636 0.7876 0.065 Uiso 1 1 calc R . .
C10 C 0.4698(7) 0.2134(7) 0.7274(6) 0.0485(19) Uani 1 1 d . . .
C11 C 0.6030(8) 0.2732(9) 0.7679(8) 0.070(3) Uani 1 1 d . . .
H11 H 0.6675 0.2375 0.8067 0.084 Uiso 1 1 calc R . .
C12 C 0.6381(8) 0.3810(8) 0.7514(8) 0.067(3) Uani 1 1 d . . .
H12 H 0.7263 0.4195 0.7813 0.080 Uiso 1 1 calc R . .
C13 C 0.0877(8) 0.1811(6) 0.3058(6) 0.0435(18) Uani 1 1 d . . .
C14 C 0.0757(7) 0.1232(5) 0.1910(5) 0.0335(16) Uani 1 1 d . . .
C15 C 0.1790(7) 0.1453(6) 0.1445(6) 0.0467(19) Uani 1 1 d . . .
H15 H 0.2563 0.1982 0.1845 0.056 Uiso 1 1 calc R . .
C16 C -0.0364(8) 0.0478(6) 0.1326(6) 0.050(2) Uani 1 1 d . . .
H16 H -0.1052 0.0332 0.1646 0.059 Uiso 1 1 calc R . .
C17 C -0.0521(7) -0.0108(6) 0.0217(6) 0.0415(17) Uani 1 1 d . . .
C18 C -0.1677(8) -0.0898(7) -0.0402(6) 0.059(2) Uani 1 1 d . . .
H18 H -0.2379 -0.1048 -0.0098 0.071 Uiso 1 1 calc R . .
C19 C 0.0097(6) 0.4947(5) 0.6760(5) 0.0297(15) Uani 1 1 d . . .
C20 C 0.0062(6) 0.4786(5) 0.7977(5) 0.0283(14) Uani 1 1 d . . .
C21 C 0.0162(7) 0.3741(6) 0.8356(5) 0.0388(17) Uani 1 1 d . . .
H21 H 0.0236 0.3150 0.7870 0.047 Uiso 1 1 calc R . .
C22 C -0.0062(7) 0.5644(6) 0.8650(5) 0.0369(17) Uani 1 1 d . . .
H22 H -0.0156 0.6319 0.8365 0.044 Uiso 1 1 calc R . .
C23 C -0.0051(7) 0.5531(5) 0.9816(5) 0.0323(15) Uani 1 1 d . . .
C24 C -0.0150(8) 0.6399(6) 1.0540(6) 0.0435(18) Uani 1 1 d . . .
H24 H -0.0209 0.7092 1.0283 0.052 Uiso 1 1 calc R . .
C25 C -0.1498(6) 0.1944(5) 0.5297(5) 0.0301(15) Uani 1 1 d . . .
C26 C -0.2702(6) 0.1174(6) 0.5352(5) 0.0329(15) Uani 1 1 d . . .
C27 C -0.3915(7) 0.1169(6) 0.4628(6) 0.0378(16) Uani 1 1 d . . .
H27 H -0.3983 0.1699 0.4118 0.045 Uiso 1 1 calc R . .
C28 C -0.5060(6) 0.0406(5) 0.4616(6) 0.0345(16) Uani 1 1 d . . .
C29 C -0.2606(7) 0.0398(7) 0.6129(7) 0.053(2) Uani 1 1 d . . .
H29 H -0.1782 0.0396 0.6632 0.064 Uiso 1 1 calc R . .
C30 C -0.3681(8) -0.0351(7) 0.6171(8) 0.066(3) Uani 1 1 d . . .
H30 H -0.3593 -0.0838 0.6723 0.080 Uiso 1 1 calc R . .
C31 C 0.6333(9) 0.2661(7) 0.1760(7) 0.062(2) Uani 1 1 d . . .
C32 C 0.5723(7) 0.3404(6) 0.1011(6) 0.0438(18) Uani 1 1 d . . .
C33 C 0.4520(8) 0.2925(6) 0.0138(7) 0.053(2) Uani 1 1 d . . .
H33 H 0.4160 0.2154 0.0056 0.064 Uiso 1 1 calc R . .
C34 C 0.6254(7) 0.4535(6) 0.1146(5) 0.0396(17) Uani 1 1 d . . .
H34 H 0.7053 0.4846 0.1713 0.047 Uiso 1 1 calc R . .
C35 C 0.5601(6) 0.5239(6) 0.0434(6) 0.0358(16) Uani 1 1 d . . .
C36 C 0.6125(8) 0.6429(6) 0.0588(6) 0.051(2) Uani 1 1 d . . .
H36 H 0.6897 0.6762 0.1178 0.061 Uiso 1 1 calc R . .
N1 N 0.2436(5) 0.2115(4) 0.6221(4) 0.0304(12) Uani 1 1 d . . .
N2 N 0.3150(5) 0.4277(4) 0.5809(4) 0.0317(12) Uani 1 1 d . . .
O1 O 0.0689(5) 0.4347(4) 0.6348(3) 0.0348(11) Uani 1 1 d . . .
O2 O -0.0388(4) 0.1824(4) 0.5868(4) 0.0353(11) Uani 1 1 d . . .
O3 O -0.1574(4) 0.2686(4) 0.4614(4) 0.0398(12) Uani 1 1 d . . .
O4 O -0.0079(6) 0.1615(5) 0.3464(4) 0.0636(17) Uani 1 1 d . . .
O5 O 0.1921(5) 0.2517(4) 0.3629(4) 0.0375(11) Uani 1 1 d . . .
O6 O 0.5828(8) 0.1702(5) 0.1790(7) 0.119(4) Uani 1 1 d . . .
O7 O 0.7481(6) 0.3168(5) 0.2493(5) 0.089(3) Uani 1 1 d . . .
H7A H 0.7791 0.2696 0.2906 0.107 Uiso 1 1 d R . .
O8 O 0.0456(5) 0.4339(4) 0.3721(3) 0.0370(11) 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'
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
O1 Dy1 O8 89.31(15) . .
O1 Dy1 O4 152.83(19) . .
O8 Dy1 O4 89.55(19) . .
O1 Dy1 O2 81.82(16) . .
O8 Dy1 O2 138.24(16) . .
O4 Dy1 O2 81.05(17) . .
O1 Dy1 O5 151.28(17) . .
O8 Dy1 O5 79.11(15) . .
O4 Dy1 O5 54.24(17) . .
O2 Dy1 O5 123.88(16) . .
O1 Dy1 O3 79.72(17) . .
O8 Dy1 O3 84.55(16) . .
O4 Dy1 O3 73.15(18) . .
O2 Dy1 O3 53.75(14) . .
O5 Dy1 O3 124.49(16) . .
O1 Dy1 N2 76.14(17) . .
O8 Dy1 N2 87.67(17) . .
O4 Dy1 N2 130.92(18) . .
O2 Dy1 N2 128.57(16) . .
O5 Dy1 N2 77.20(16) . .
O3 Dy1 N2 154.69(17) . .
O1 Dy1 N1 99.08(16) . .
O8 Dy1 N1 148.69(18) . .
O4 Dy1 N1 95.9(2) . .
O2 Dy1 N1 73.03(16) . .
O5 Dy1 N1 79.28(16) . .
O3 Dy1 N1 126.54(16) . .
N2 Dy1 N1 65.58(17) . .
O1 Dy1 C13 170.49(18) . .
O8 Dy1 C13 81.25(18) . .
O4 Dy1 C13 27.2(2) . .
O2 Dy1 C13 104.47(19) . .
O5 Dy1 C13 27.27(19) . .
O3 Dy1 C13 98.1(2) . .
N2 Dy1 C13 104.4(2) . .
N1 Dy1 C13 89.66(19) . .
O1 Dy1 C25 81.16(18) . .
O8 Dy1 C25 111.84(17) . .
O4 Dy1 C25 74.12(18) . .
O2 Dy1 C25 26.53(15) . .
O5 Dy1 C25 127.53(17) . .
O3 Dy1 C25 27.29(15) . .
N2 Dy1 C25 149.85(18) . .
N1 Dy1 C25 99.28(17) . .
C13 Dy1 C25 101.2(2) . .
N2 C1 C2 123.2(7) . .
N2 C1 H1 118.4 . .
C2 C1 H1 118.4 . .
C3 C2 C1 120.4(7) . .
C3 C2 H2 119.8 . .
C1 C2 H2 119.8 . .
C2 C3 C4 118.4(7) . .
C2 C3 H3 120.8 . .
C4 C3 H3 120.8 . .
C5 C4 C3 118.3(7) . .
C5 C4 C12 119.1(7) . .
C3 C4 C12 122.6(8) . .
N2 C5 C4 122.0(6) . .
N2 C5 C6 118.4(6) . .
C4 C5 C6 119.6(6) . .
N1 C6 C10 123.4(7) . .
N1 C6 C5 118.1(6) . .
C10 C6 C5 118.5(7) . .
N1 C7 C8 123.0(7) . .
N1 C7 H7 118.5 . .
C8 C7 H7 118.5 . .
C9 C8 C7 119.7(7) . .
C9 C8 H8 120.1 . .
C7 C8 H8 120.1 . .
C8 C9 C10 119.9(7) . .
C8 C9 H9 120.0 . .
C10 C9 H9 120.0 . .
C6 C10 C11 120.3(7) . .
C6 C10 C9 116.3(7) . .
C11 C10 C9 123.3(7) . .
C12 C11 C10 121.0(8) . .
C12 C11 H11 119.5 . .
C10 C11 H11 119.5 . .
C11 C12 C4 121.4(8) . .
C11 C12 H12 119.3 . .
C4 C12 H12 119.3 . .
O4 C13 O5 119.2(7) . .
O4 C13 C14 120.1(7) . .
O5 C13 C14 120.7(7) . .
O4 C13 Dy1 57.8(4) . .
O5 C13 Dy1 62.1(4) . .
C14 C13 Dy1 170.3(5) . .
C16 C14 C15 119.9(6) . .
C16 C14 C13 119.3(7) . .
C15 C14 C13 120.8(7) . .
C18 C15 C14 120.2(7) 2 .
C18 C15 H15 119.9 2 .
C14 C15 H15 119.9 . .
C14 C16 C17 121.2(7) . .
C14 C16 H16 119.4 . .
C17 C16 H16 119.4 . .
C17 C17 C18 120.1(8) 2 .
C17 C17 C16 117.8(8) 2 .
C18 C17 C16 122.1(7) . .
C15 C18 C17 120.8(7) 2 .
C15 C18 H18 119.6 2 .
C17 C18 H18 119.6 . .
O1 C19 O8 125.8(6) . 2_566
O1 C19 C20 115.8(5) . .
O8 C19 C20 118.4(6) 2_566 .
C22 C20 C21 121.8(6) . .
C22 C20 C19 119.1(6) . .
C21 C20 C19 119.1(6) . .
C24 C21 C20 119.1(6) 2_567 .
C24 C21 H21 120.5 2_567 .
C20 C21 H21 120.5 . .
C20 C22 C23 120.4(6) . .
C20 C22 H22 119.8 . .
C23 C22 H22 119.8 . .
C24 C23 C23 120.9(7) . 2_567
C24 C23 C22 122.2(6) . .
C23 C23 C22 116.9(7) 2_567 .
C23 C24 C21 120.8(6) . 2_567
C23 C24 H24 119.6 . .
C21 C24 H24 119.6 2_567 .
O2 C25 O3 119.6(6) . .
O2 C25 C26 119.8(5) . .
O3 C25 C26 120.5(6) . .
O2 C25 Dy1 57.9(3) . .
O3 C25 Dy1 62.0(3) . .
C26 C25 Dy1 170.6(5) . .
C27 C26 C29 118.5(6) . .
C27 C26 C25 121.7(6) . .
C29 C26 C25 119.8(6) . .
C26 C27 C28 122.8(6) . .
C26 C27 H27 118.6 . .
C28 C27 H27 118.6 . .
C27 C28 C30 123.6(6) . 2_456
C27 C28 C28 118.0(7) . 2_456
C30 C28 C28 118.2(8) 2_456 2_456
C30 C29 C26 121.5(7) . .
C30 C29 H29 119.3 . .
C26 C29 H29 119.3 . .
C29 C30 C28 120.8(7) . 2_456
C29 C30 H30 119.6 . .
C28 C30 H30 119.6 2_456 .
O6 C31 O7 121.3(7) . .
O6 C31 C32 125.3(8) . .
O7 C31 C32 113.2(7) . .
C34 C32 C33 119.9(6) . .
C34 C32 C31 122.3(6) . .
C33 C32 C31 117.9(7) . .
C36 C33 C32 121.4(7) 2_665 .
C36 C33 H33 119.3 2_665 .
C32 C33 H33 119.3 . .
C32 C34 C35 120.6(6) . .
C32 C34 H34 119.7 . .
C35 C34 H34 119.7 . .
C35 C35 C34 119.4(8) 2_665 .
C35 C35 C36 119.3(8) 2_665 .
C34 C35 C36 121.2(6) . .
C33 C36 C35 119.3(6) 2_665 .
C33 C36 H36 120.3 2_665 .
C35 C36 H36 120.3 . .
C7 N1 C6 117.6(6) . .
C7 N1 Dy1 123.0(4) . .
C6 N1 Dy1 119.3(4) . .
C1 N2 C5 117.6(6) . .
C1 N2 Dy1 124.0(5) . .
C5 N2 Dy1 118.4(4) . .
C19 O1 Dy1 152.9(4) . .
C25 O2 Dy1 95.6(4) . .
C25 O3 Dy1 90.7(4) . .
C13 O4 Dy1 95.0(4) . .
C13 O5 Dy1 90.7(4) . .
C31 O7 H7A 109.2 . .
C19 O8 Dy1 155.9(4) 2_566 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O1 2.236(4) .
Dy1 O8 2.252(4) .
Dy1 O4 2.335(5) .
Dy1 O2 2.367(4) .
Dy1 O5 2.429(4) .
Dy1 O3 2.455(4) .
Dy1 N2 2.512(5) .
Dy1 N1 2.517(5) .
Dy1 C13 2.749(7) .
Dy1 C25 2.781(7) .
C1 N2 1.322(8) .
C1 C2 1.386(10) .
C1 H1 0.9300 .
C2 C3 1.355(11) .
C2 H2 0.9300 .
C3 C4 1.406(11) .
C3 H3 0.9300 .
C4 C5 1.405(9) .
C4 C12 1.419(11) .
C5 N2 1.369(8) .
C5 C6 1.442(9) .
C6 N1 1.343(8) .
C6 C10 1.401(9) .
C7 N1 1.330(8) .
C7 C8 1.380(9) .
C7 H7 0.9300 .
C8 C9 1.341(11) .
C8 H8 0.9300 .
C9 C10 1.411(11) .
C9 H9 0.9300 .
C10 C11 1.408(11) .
C11 C12 1.341(12) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C13 O4 1.260(9) .
C13 O5 1.260(8) .
C13 C14 1.484(9) .
C14 C16 1.341(10) .
C14 C15 1.384(10) .
C15 C18 1.361(10) 2
C15 H15 0.9300 .
C16 C17 1.436(9) .
C16 H16 0.9300 .
C17 C17 1.367(14) 2
C17 C18 1.395(10) .
C18 C15 1.361(10) 2
C18 H18 0.9300 .
C19 O1 1.230(8) .
C19 O8 1.242(7) 2_566
C19 C20 1.528(8) .
C20 C22 1.334(9) .
C20 C21 1.401(8) .
C21 C24 1.380(9) 2_567
C21 H21 0.9300 .
C22 C23 1.442(9) .
C22 H22 0.9300 .
C23 C24 1.369(9) .
C23 C23 1.417(12) 2_567
C24 C21 1.380(9) 2_567
C24 H24 0.9300 .
C25 O2 1.248(7) .
C25 O3 1.275(7) .
C25 C26 1.471(9) .
C26 C27 1.357(9) .
C26 C29 1.389(9) .
C27 C28 1.393(9) .
C27 H27 0.9300 .
C28 C30 1.414(10) 2_456
C28 C28 1.415(12) 2_456
C29 C30 1.347(10) .
C29 H29 0.9300 .
C30 C28 1.414(10) 2_456
C30 H30 0.9300 .
C31 O6 1.197(10) .
C31 O7 1.309(9) .
C31 C32 1.453(10) .
C32 C34 1.363(9) .
C32 C33 1.413(10) .
C33 C36 1.365(9) 2_665
C33 H33 0.9300 .
C34 C35 1.413(9) .
C34 H34 0.9300 .
C35 C35 1.409(12) 2_665
C35 C36 1.427(9) .
C36 C33 1.365(9) 2_665
C36 H36 0.9300 .
O7 H7A 0.8500 .
O8 C19 1.242(7) 2_566
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
N2 C1 C2 C3 0.6(12) . . . .
C1 C2 C3 C4 -1.1(12) . . . .
C2 C3 C4 C5 0.6(11) . . . .
C2 C3 C4 C12 179.7(8) . . . .
C3 C4 C5 N2 0.4(10) . . . .
C12 C4 C5 N2 -178.6(7) . . . .
C3 C4 C5 C6 -179.5(7) . . . .
C12 C4 C5 C6 1.4(11) . . . .
N2 C5 C6 N1 -2.0(9) . . . .
C4 C5 C6 N1 177.9(6) . . . .
N2 C5 C6 C10 179.7(6) . . . .
C4 C5 C6 C10 -0.4(10) . . . .
N1 C7 C8 C9 -1.2(12) . . . .
C7 C8 C9 C10 1.5(12) . . . .
N1 C6 C10 C11 179.8(7) . . . .
C5 C6 C10 C11 -2.0(11) . . . .
N1 C6 C10 C9 0.3(11) . . . .
C5 C6 C10 C9 178.5(7) . . . .
C8 C9 C10 C6 -1.1(12) . . . .
C8 C9 C10 C11 179.4(9) . . . .
C6 C10 C11 C12 3.4(14) . . . .
C9 C10 C11 C12 -177.1(9) . . . .
C10 C11 C12 C4 -2.3(15) . . . .
C5 C4 C12 C11 -0.1(13) . . . .
C3 C4 C12 C11 -179.2(9) . . . .
O1 Dy1 C13 O4 -99.3(13) . . . .
O8 Dy1 C13 O4 -106.4(5) . . . .
O2 Dy1 C13 O4 31.3(5) . . . .
O5 Dy1 C13 O4 170.4(7) . . . .
O3 Dy1 C13 O4 -23.2(5) . . . .
N2 Dy1 C13 O4 168.3(5) . . . .
N1 Dy1 C13 O4 103.7(5) . . . .
C25 Dy1 C13 O4 4.3(5) . . . .
O1 Dy1 C13 O5 90.2(13) . . . .
O8 Dy1 C13 O5 83.2(4) . . . .
O4 Dy1 C13 O5 -170.4(7) . . . .
O2 Dy1 C13 O5 -139.1(4) . . . .
O3 Dy1 C13 O5 166.3(4) . . . .
N2 Dy1 C13 O5 -2.1(4) . . . .
N1 Dy1 C13 O5 -66.7(4) . . . .
C25 Dy1 C13 O5 -166.1(4) . . . .
O1 Dy1 C13 C14 -19(4) . . . .
O8 Dy1 C13 C14 -26(3) . . . .
O4 Dy1 C13 C14 81(3) . . . .
O2 Dy1 C13 C14 112(3) . . . .
O5 Dy1 C13 C14 -109(3) . . . .
O3 Dy1 C13 C14 57(3) . . . .
N2 Dy1 C13 C14 -111(3) . . . .
N1 Dy1 C13 C14 -176(3) . . . .
C25 Dy1 C13 C14 85(3) . . . .
O4 C13 C14 C16 -1.9(11) . . . .
O5 C13 C14 C16 179.5(7) . . . .
Dy1 C13 C14 C16 -77(3) . . . .
O4 C13 C14 C15 178.9(7) . . . .
O5 C13 C14 C15 0.3(10) . . . .
Dy1 C13 C14 C15 104(3) . . . .
C16 C14 C15 C18 -0.7(12) . . . 2
C13 C14 C15 C18 178.5(7) . . . 2
C15 C14 C16 C17 -0.3(12) . . . .
C13 C14 C16 C17 -179.5(7) . . . .
C14 C16 C17 C17 1.5(14) . . . 2
C14 C16 C17 C18 179.8(8) . . . .
C17 C17 C18 C15 -0.7(15) 2 . . 2
C16 C17 C18 C15 -179.0(8) . . . 2
O1 C19 C20 C22 153.5(6) . . . .
O8 C19 C20 C22 -26.2(9) 2_566 . . .
O1 C19 C20 C21 -26.5(9) . . . .
O8 C19 C20 C21 153.9(6) 2_566 . . .
C22 C20 C21 C24 -0.9(11) . . . 2_567
C19 C20 C21 C24 179.1(6) . . . 2_567
C21 C20 C22 C23 2.2(11) . . . .
C19 C20 C22 C23 -177.8(6) . . . .
C20 C22 C23 C24 178.7(7) . . . .
C20 C22 C23 C23 -2.1(12) . . . 2_567
C23 C23 C24 C21 -0.4(14) 2_567 . . 2_567
C22 C23 C24 C21 178.7(7) . . . 2_567
O1 Dy1 C25 O2 -89.4(4) . . . .
O8 Dy1 C25 O2 -175.1(3) . . . .
O4 Dy1 C25 O2 102.0(4) . . . .
O5 Dy1 C25 O2 92.0(4) . . . .
O3 Dy1 C25 O2 -174.1(6) . . . .
N2 Dy1 C25 O2 -48.0(5) . . . .
N1 Dy1 C25 O2 8.5(4) . . . .
C13 Dy1 C25 O2 100.0(4) . . . .
O1 Dy1 C25 O3 84.7(4) . . . .
O8 Dy1 C25 O3 -1.0(4) . . . .
O4 Dy1 C25 O3 -83.9(4) . . . .
O2 Dy1 C25 O3 174.1(6) . . . .
O5 Dy1 C25 O3 -93.9(4) . . . .
N2 Dy1 C25 O3 126.1(4) . . . .
N1 Dy1 C25 O3 -177.5(4) . . . .
C13 Dy1 C25 O3 -86.0(4) . . . .
O1 Dy1 C25 C26 -168(3) . . . .
O8 Dy1 C25 C26 107(3) . . . .
O4 Dy1 C25 C26 24(3) . . . .
O2 Dy1 C25 C26 -78(3) . . . .
O5 Dy1 C25 C26 14(3) . . . .
O3 Dy1 C25 C26 108(3) . . . .
N2 Dy1 C25 C26 -126(3) . . . .
N1 Dy1 C25 C26 -70(3) . . . .
C13 Dy1 C25 C26 22(3) . . . .
O2 C25 C26 C27 -170.5(7) . . . .
O3 C25 C26 C27 4.8(10) . . . .
Dy1 C25 C26 C27 -98(3) . . . .
O2 C25 C26 C29 6.9(10) . . . .
O3 C25 C26 C29 -177.7(7) . . . .
Dy1 C25 C26 C29 80(3) . . . .
C29 C26 C27 C28 -1.3(12) . . . .
C25 C26 C27 C28 176.1(6) . . . .
C26 C27 C28 C30 -176.7(8) . . . 2_456
C26 C27 C28 C28 -0.9(13) . . . 2_456
C27 C26 C29 C30 0.3(13) . . . .
C25 C26 C29 C30 -177.2(8) . . . .
C26 C29 C30 C28 2.9(15) . . . 2_456
O6 C31 C32 C34 169.0(11) . . . .
O7 C31 C32 C34 -5.7(13) . . . .
O6 C31 C32 C33 -9.2(16) . . . .
O7 C31 C32 C33 176.0(9) . . . .
C34 C32 C33 C36 0.6(13) . . . 2_665
C31 C32 C33 C36 178.9(9) . . . 2_665
C33 C32 C34 C35 1.1(12) . . . .
C31 C32 C34 C35 -177.1(8) . . . .
C32 C34 C35 C35 -0.8(13) . . . 2_665
C32 C34 C35 C36 178.1(7) . . . .
C35 C35 C36 C33 -2.7(14) 2_665 . . 2_665
C34 C35 C36 C33 178.4(8) . . . 2_665
C8 C7 N1 C6 0.3(10) . . . .
C8 C7 N1 Dy1 176.4(5) . . . .
C10 C6 N1 C7 0.1(10) . . . .
C5 C6 N1 C7 -178.1(6) . . . .
C10 C6 N1 Dy1 -176.1(5) . . . .
C5 C6 N1 Dy1 5.7(8) . . . .
O1 Dy1 N1 C7 108.8(5) . . . .
O8 Dy1 N1 C7 -147.3(5) . . . .
O4 Dy1 N1 C7 -48.4(5) . . . .
O2 Dy1 N1 C7 30.3(5) . . . .
O5 Dy1 N1 C7 -100.3(5) . . . .
O3 Dy1 N1 C7 25.0(6) . . . .
N2 Dy1 N1 C7 179.0(6) . . . .
C13 Dy1 N1 C7 -74.9(5) . . . .
C25 Dy1 N1 C7 26.4(5) . . . .
O1 Dy1 N1 C6 -75.1(5) . . . .
O8 Dy1 N1 C6 28.7(6) . . . .
O4 Dy1 N1 C6 127.6(5) . . . .
O2 Dy1 N1 C6 -153.6(5) . . . .
O5 Dy1 N1 C6 75.7(5) . . . .
O3 Dy1 N1 C6 -159.0(4) . . . .
N2 Dy1 N1 C6 -4.9(4) . . . .
C13 Dy1 N1 C6 101.1(5) . . . .
C25 Dy1 N1 C6 -157.6(5) . . . .
C2 C1 N2 C5 0.5(10) . . . .
C2 C1 N2 Dy1 -177.8(6) . . . .
C4 C5 N2 C1 -1.0(10) . . . .
C6 C5 N2 C1 178.9(6) . . . .
C4 C5 N2 Dy1 177.4(5) . . . .
C6 C5 N2 Dy1 -2.7(8) . . . .
O1 Dy1 N2 C1 -71.0(5) . . . .
O8 Dy1 N2 C1 18.8(5) . . . .
O4 Dy1 N2 C1 106.2(6) . . . .
O2 Dy1 N2 C1 -138.4(5) . . . .
O5 Dy1 N2 C1 98.2(5) . . . .
O3 Dy1 N2 C1 -53.2(7) . . . .
N1 Dy1 N2 C1 -177.9(6) . . . .
C13 Dy1 N2 C1 99.2(5) . . . .
C25 Dy1 N2 C1 -113.3(6) . . . .
O1 Dy1 N2 C5 110.7(5) . . . .
O8 Dy1 N2 C5 -159.4(5) . . . .
O4 Dy1 N2 C5 -72.1(5) . . . .
O2 Dy1 N2 C5 43.3(5) . . . .
O5 Dy1 N2 C5 -80.1(4) . . . .
O3 Dy1 N2 C5 128.5(5) . . . .
N1 Dy1 N2 C5 3.8(4) . . . .
C13 Dy1 N2 C5 -79.1(5) . . . .
C25 Dy1 N2 C5 68.4(6) . . . .
O8 C19 O1 Dy1 -54.5(13) 2_566 . . .
C20 C19 O1 Dy1 125.9(8) . . . .
O8 Dy1 O1 C19 61.1(9) . . . .
O4 Dy1 O1 C19 -26.6(11) . . . .
O2 Dy1 O1 C19 -78.0(9) . . . .
O5 Dy1 O1 C19 126.6(9) . . . .
O3 Dy1 O1 C19 -23.5(9) . . . .
N2 Dy1 O1 C19 148.9(10) . . . .
N1 Dy1 O1 C19 -149.2(9) . . . .
C13 Dy1 O1 C19 54.1(17) . . . .
C25 Dy1 O1 C19 -51.1(9) . . . .
O3 C25 O2 Dy1 -6.0(6) . . . .
C26 C25 O2 Dy1 169.4(5) . . . .
O1 Dy1 O2 C25 86.6(4) . . . .
O8 Dy1 O2 C25 6.9(5) . . . .
O4 Dy1 O2 C25 -72.2(4) . . . .
O5 Dy1 O2 C25 -107.3(4) . . . .
O3 Dy1 O2 C25 3.4(4) . . . .
N2 Dy1 O2 C25 151.5(4) . . . .
N1 Dy1 O2 C25 -171.3(4) . . . .
C13 Dy1 O2 C25 -86.1(4) . . . .
O2 C25 O3 Dy1 5.8(6) . . . .
C26 C25 O3 Dy1 -169.6(5) . . . .
O1 Dy1 O3 C25 -90.6(4) . . . .
O8 Dy1 O3 C25 179.1(4) . . . .
O4 Dy1 O3 C25 87.9(4) . . . .
O2 Dy1 O3 C25 -3.3(4) . . . .
O5 Dy1 O3 C25 106.3(4) . . . .
N2 Dy1 O3 C25 -108.2(5) . . . .
N1 Dy1 O3 C25 3.1(4) . . . .
C13 Dy1 O3 C25 98.7(4) . . . .
O5 C13 O4 Dy1 9.7(7) . . . .
C14 C13 O4 Dy1 -169.0(5) . . . .
O1 Dy1 O4 C13 159.1(4) . . . .
O8 Dy1 O4 C13 71.5(5) . . . .
O2 Dy1 O4 C13 -149.4(5) . . . .
O5 Dy1 O4 C13 -5.4(4) . . . .
O3 Dy1 O4 C13 155.9(5) . . . .
N2 Dy1 O4 C13 -15.0(6) . . . .
N1 Dy1 O4 C13 -77.6(5) . . . .
C25 Dy1 O4 C13 -175.6(5) . . . .
O4 C13 O5 Dy1 -9.3(7) . . . .
C14 C13 O5 Dy1 169.4(6) . . . .
O1 Dy1 O5 C13 -159.9(4) . . . .
O8 Dy1 O5 C13 -92.0(4) . . . .
O4 Dy1 O5 C13 5.4(4) . . . .
O2 Dy1 O5 C13 49.8(4) . . . .
O3 Dy1 O5 C13 -16.5(4) . . . .
N2 Dy1 O5 C13 177.9(4) . . . .
N1 Dy1 O5 C13 110.8(4) . . . .
C25 Dy1 O5 C13 17.2(5) . . . .
O1 Dy1 O8 C19 -43.5(11) . . . 2_566
O4 Dy1 O8 C19 109.3(11) . . . 2_566
O2 Dy1 O8 C19 33.3(11) . . . 2_566
O5 Dy1 O8 C19 162.9(11) . . . 2_566
O3 Dy1 O8 C19 36.2(11) . . . 2_566
N2 Dy1 O8 C19 -119.7(11) . . . 2_566
N1 Dy1 O8 C19 -150.0(10) . . . 2_566
C13 Dy1 O8 C19 135.3(11) . . . 2_566
C25 Dy1 O8 C19 36.6(11) . . . 2_566
