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#$Date: 2022-09-20 01:44:23 +0300 (Tue, 20 Sep 2022) $
#$Revision: 277987 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/13/7711302.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_7711302
loop_
_publ_author_name
'Zhang, Xiao-Nuan'
'Chen, Bo-Chen'
'Zhang, Jia-Li'
'Zhang, Jialin'
'Liu, Sui-Jun'
'Wen, He-Rui'
_publ_section_title
;
 Anionic lanthanide metal-organic frameworks with magnetism, fluorescence,
 proton conductivity and selective adsorption of cationic dye
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT02347D
_journal_year                    2022
_chemical_formula_moiety         'C16 H6 Dy O8, C2 H8 N'
_chemical_formula_sum            'C18 H14 Dy N O8'
_chemical_formula_weight         534.70
_space_group_crystal_system      trigonal
_space_group_IT_number           154
_space_group_name_Hall           'P 32 2"'
_space_group_name_H-M_alt        'P 32 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_audit_creation_date             2022-04-10
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2022-04-12 deposited with the CCDC.	2022-09-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   13.7063(4)
_cell_length_b                   13.7063(4)
_cell_length_c                   22.8201(17)
_cell_measurement_reflns_used    6467
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      2
_cell_measurement_theta_min      2.96
_cell_volume                     3712.7(3)
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       'phi and omega scans'
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_diffrn_ambient_temperature      180.15
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0347
_diffrn_reflns_av_unetI/netI     0.0277
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            27375
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.972
_exptl_absorpt_coefficient_mu    3.054
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.435
_exptl_crystal_description       rod
_exptl_crystal_F_000             1554
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.599
_refine_diff_density_min         -1.175
_refine_diff_density_rms         0.122
_refine_ls_abs_structure_details
;
 Flack x determined using 1620 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.002(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.141
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     255
_refine_ls_number_reflns         4369
_refine_ls_number_restraints     59
_refine_ls_restrained_S_all      1.471
_refine_ls_R_factor_all          0.0346
_refine_ls_R_factor_gt           0.0294
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0196P)²+18.0915P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0683
_refine_ls_wR_factor_ref         0.0702
_reflns_Friedel_coverage         0.765
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                3959
_reflns_number_total             4369
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt02347d2.cif
_cod_data_source_block           d_sq_s_sq_s
_cod_original_cell_volume        3712.7(4)
_cod_database_code               7711302
_shelx_shelxl_version_number     2017/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 H2C-C2
 0.85 with sigma of 0.01
 H2C-H2B
 2.5 with sigma of 0.02
 C2-N2
 1.54 with sigma of 0.01
3. Rigid bond restraints
 Dy1, O2
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 O3, C6
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 Dy1, O3
 with sigma for 1-2 distances of 0.1 and sigma for 1-3 distances of 0.2
4. Uiso/Uaniso restraints and constraints
Uanis(C23) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N2) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(O2) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O3) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C2) \\sim Ueq, Uanis(N2) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C1) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C13) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(C1) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(O2) \\sim Ueq, Uanis(O3) \\sim
Ueq, Uanis(C6) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of
0.002
Uanis(C2) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
5.a Secondary CH2 refined with riding coordinates:
 N2(H2D,H2E)
5.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C10(H10), C13(H13), C14(H14), C15(H15), C16(H16)
5.c Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C23(H23A,H23B,H23C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z+2/3'
'-x+y, -x, z+1/3'
'y, x, -z'
'-x, -x+y, -z+2/3'
'x-y, -y, -z+1/3'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy -0.02903(3) 0.66615(4) 0.74365(2) 0.00691(10) Uani 1 1 d . U . . .
O1 O 0.0294(6) 0.8143(5) 0.6663(3) 0.0192(15) Uani 1 1 d . . . . .
O2 O 0.1222(6) 0.7230(6) 0.6749(3) 0.0341(15) Uani 1 1 d . U . . .
O3 O 0.5106(6) 0.9252(7) 0.3234(3) 0.0385(16) Uani 1 1 d . U . . .
O4 O 0.5830(6) 0.8149(5) 0.3249(2) 0.0176(13) Uani 1 1 d . . . . .
O5 O 0.3216(6) 0.4873(5) 0.5364(3) 0.0169(14) Uani 1 1 d . . . . .
O6 O 0.2659(5) 1.1217(5) 0.4461(2) 0.0147(14) Uani 1 1 d . . . . .
O7 O 0.2766(6) 1.1789(5) 0.5379(2) 0.0179(13) Uani 1 1 d . . . . .
O8 O 0.3981(5) 0.4771(4) 0.4514(2) 0.0142(15) Uani 1 1 d . . . . .
C1 C 0.3966(7) 0.8351(9) 0.4291(4) 0.0195(19) Uani 1 1 d . U . . .
H1 H 0.404531 0.904373 0.415704 0.023 Uiso 1 1 calc R . . . .
C4 C 0.4488(8) 0.7863(8) 0.3979(4) 0.019(2) Uani 1 1 d . . . . .
C6 C 0.5158(9) 0.8439(9) 0.3457(4) 0.0238(19) Uani 1 1 d . U . . .
C7 C 0.1028(8) 0.7924(8) 0.6484(4) 0.017(2) Uani 1 1 d . . . . .
C8 C 0.2622(8) 1.1064(7) 0.5006(4) 0.014(2) Uani 1 1 d . . . . .
C9 C 0.3640(8) 0.5245(7) 0.4868(4) 0.0125(19) Uani 1 1 d . . . . .
C10 C 0.2175(8) 0.7945(9) 0.5635(4) 0.023(2) Uani 1 1 d . . . . .
H10 H 0.208388 0.725345 0.577853 0.027 Uiso 1 1 calc R . . . .
C11 C 0.2792(8) 0.8403(8) 0.5124(4) 0.021(2) Uani 1 1 d . U . . .
C12 C 0.1695(9) 0.8465(8) 0.5939(4) 0.024(2) Uani 1 1 d . . . . .
C13 C 0.1832(8) 0.9500(8) 0.5735(4) 0.018(2) Uani 1 1 d . U . . .
H13 H 0.152331 0.987808 0.594842 0.022 Uiso 1 1 calc R . . . .
C14 C 0.2866(9) 0.9399(8) 0.4915(4) 0.018(2) Uani 1 1 d . . . . .
H14 H 0.323332 0.970175 0.455262 0.022 Uiso 1 1 calc R . . . .
C15 C 0.4364(8) 0.6848(7) 0.4171(4) 0.0140(19) Uani 1 1 d . . . . .
H15 H 0.469713 0.649400 0.395850 0.017 Uiso 1 1 calc R . . . .
C16 C 0.3236(8) 0.6833(8) 0.4988(4) 0.017(2) Uani 1 1 d . . . . .
H16 H 0.281967 0.647389 0.533162 0.021 Uiso 1 1 calc R . . . .
C17 C 0.3323(9) 0.7844(8) 0.4800(4) 0.021(2) Uani 1 1 d . . . . .
C18 C 0.2418(8) 0.9954(8) 0.5223(4) 0.016(2) Uani 1 1 d . . . . .
C19 C 0.3753(8) 0.6354(7) 0.4674(4) 0.0137(19) Uani 1 1 d . . . . .
C2 C 0.706(2) 0.134(2) 0.6365(12) 0.190(13) Uani 1 1 d D U . . .
H2A H 0.770056 0.198560 0.617535 0.284 Uiso 1 1 calc GR . . . .
H2B H 0.726165 0.077376 0.646586 0.284 Uiso 1 1 calc DGR . . . .
H2C H 0.685735 0.160052 0.672210 0.284 Uiso 1 1 calc DGR . . . .
C23 C 0.506(3) 0.105(2) 0.6081(12) 0.166(11) Uani 1 1 d . U . . .
H23A H 0.522039 0.145965 0.645404 0.249 Uiso 1 1 calc GR . . . .
H23B H 0.435175 0.033561 0.611339 0.249 Uiso 1 1 calc GR . . . .
H23C H 0.499638 0.150844 0.576928 0.249 Uiso 1 1 calc GR . . . .
N2 N 0.603(2) 0.0822(19) 0.5935(10) 0.185(10) Uani 1 1 d D U . . .
H2D H 0.628430 0.109021 0.556882 0.222 Uiso 1 1 calc R . . . .
H2E H 0.574079 0.006343 0.592580 0.222 Uiso 1 1 calc R . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0020 '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 -0.1890 4.4100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 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
_geom_angle_publ_flag
O1 Dy1 C6 85.0(3) . 4_456 ?
O2 Dy1 O1 53.2(2) . . ?
O2 Dy1 O3 71.1(2) . 4_456 ?
O2 Dy1 O4 98.4(2) . 4_456 ?
O2 Dy1 C6 83.2(3) . 4_456 ?
O3 Dy1 O1 96.0(2) 4_456 . ?
O3 Dy1 C6 26.7(3) 4_456 4_456 ?
O4 Dy1 O1 77.0(2) 4_456 . ?
O4 Dy1 O3 53.4(3) 4_456 4_456 ?
O4 Dy1 C6 26.8(3) 4_456 4_456 ?
O5 Dy1 O1 152.2(2) 6_566 . ?
O5 Dy1 O2 143.7(2) 6_566 . ?
O5 Dy1 O3 78.5(2) 6_566 4_456 ?
O5 Dy1 O4 77.9(2) 6_566 4_456 ?
O5 Dy1 O6 77.3(2) 6_566 3_465 ?
O5 Dy1 C6 78.0(3) 6_566 4_456 ?
O6 Dy1 O1 85.9(2) 3_465 . ?
O6 Dy1 O2 138.0(2) 3_465 . ?
O6 Dy1 O3 129.5(2) 3_465 4_456 ?
O6 Dy1 O4 78.5(2) 3_465 4_456 ?
O6 Dy1 C6 104.5(3) 3_465 4_456 ?
O7 Dy1 O1 79.9(2) 6_676 . ?
O7 Dy1 O2 84.6(2) 6_676 . ?
O7 Dy1 O3 151.6(3) 6_676 4_456 ?
O7 Dy1 O4 148.3(3) 6_676 4_456 ?
O7 Dy1 O5 117.46(19) 6_676 6_566 ?
O7 Dy1 O6 78.5(2) 6_676 3_465 ?
O7 Dy1 C6 164.4(3) 6_676 4_456 ?
O8 Dy1 O1 126.9(2) 3_565 . ?
O8 Dy1 O2 76.7(2) 3_565 . ?
O8 Dy1 O3 81.5(2) 3_565 4_456 ?
O8 Dy1 O4 132.6(2) 3_565 4_456 ?
O8 Dy1 O5 79.7(2) 3_565 6_566 ?
O8 Dy1 O6 135.25(19) 3_565 3_465 ?
O8 Dy1 O7 78.9(2) 3_565 6_676 ?
O8 Dy1 C6 107.5(3) 3_565 4_456 ?
C7 O1 Dy1 90.3(6) . . ?
C7 O2 Dy1 94.9(5) . . ?
C6 O3 Dy1 92.9(6) . 4_566 ?
C6 O4 Dy1 93.4(6) . 4_566 ?
C9 O5 Dy1 130.5(6) . 6_666 ?
C8 O6 Dy1 119.0(5) . 2_674 ?
C8 O7 Dy1 168.1(6) . 6_676 ?
C9 O8 Dy1 138.4(5) . 2_664 ?
C4 C1 H1 119.1 . . ?
C4 C1 C17 121.8(10) . . ?
C17 C1 H1 119.1 . . ?
C1 C4 C6 119.2(9) . . ?
C15 C4 C1 119.0(9) . . ?
C15 C4 C6 121.7(9) . . ?
O3 C6 Dy1 60.4(5) . 4_566 ?
O3 C6 O4 120.0(9) . . ?
O3 C6 C4 120.3(9) . . ?
O4 C6 Dy1 59.8(5) . 4_566 ?
O4 C6 C4 119.6(9) . . ?
C4 C6 Dy1 172.5(7) . 4_566 ?
O1 C7 O2 121.4(8) . . ?
O1 C7 C12 121.0(8) . . ?
O2 C7 C12 117.6(8) . . ?
O6 C8 C18 118.2(8) . . ?
O7 C8 O6 124.4(8) . . ?
O7 C8 C18 117.5(8) . . ?
O5 C9 O8 125.6(8) . . ?
O5 C9 C19 117.6(8) . . ?
O8 C9 C19 116.8(7) . . ?
C11 C10 H10 119.0 . . ?
C12 C10 H10 119.0 . . ?
C12 C10 C11 122.0(10) . . ?
C10 C11 C14 117.0(9) . . ?
C10 C11 C17 121.8(8) . . ?
C14 C11 C17 121.2(8) . . ?
C10 C12 C7 119.5(9) . . ?
C10 C12 C13 119.8(8) . . ?
C13 C12 C7 120.7(8) . . ?
C12 C13 H13 120.4 . . ?
C18 C13 C12 119.2(8) . . ?
C18 C13 H13 120.4 . . ?
C11 C14 H14 119.1 . . ?
C18 C14 C11 121.9(8) . . ?
C18 C14 H14 119.1 . . ?
C4 C15 H15 120.1 . . ?
C19 C15 C4 119.7(8) . . ?
C19 C15 H15 120.1 . . ?
C17 C16 H16 119.9 . . ?
C19 C16 H16 119.9 . . ?
C19 C16 C17 120.2(8) . . ?
C1 C17 C11 120.0(8) . . ?
C16 C17 C1 117.5(9) . . ?
C16 C17 C11 122.5(7) . . ?
C13 C18 C8 120.9(8) . . ?
C13 C18 C14 120.1(8) . . ?
C14 C18 C8 119.0(8) . . ?
C15 C19 C9 117.9(8) . . ?
C15 C19 C16 121.7(8) . . ?
C16 C19 C9 120.4(8) . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N2 C2 H2A 109.5 . . ?
N2 C2 H2B 109.5 . . ?
N2 C2 H2C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N2 C23 H23A 109.5 . . ?
N2 C23 H23B 109.5 . . ?
N2 C23 H23C 109.5 . . ?
C2 N2 H2D 108.2 . . ?
C2 N2 H2E 108.2 . . ?
C23 N2 C2 116(3) . . ?
C23 N2 H2D 108.2 . . ?
C23 N2 H2E 108.2 . . ?
H2D N2 H2E 107.4 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.501(6) . ?
Dy1 O2 2.398(6) . ?
Dy1 O3 2.439(7) 4_456 ?
Dy1 O4 2.425(5) 4_456 ?
Dy1 O5 2.340(6) 6_566 ?
Dy1 O6 2.344(5) 3_465 ?
Dy1 O7 2.288(6) 6_676 ?
Dy1 O8 2.269(5) 3_565 ?
Dy1 C6 2.801(11) 4_456 ?
O1 C7 1.253(11) . ?
O2 C7 1.262(11) . ?
O3 C6 1.259(13) . ?
O4 C6 1.264(12) . ?
O5 C9 1.259(10) . ?
O6 C8 1.258(10) . ?
O7 C8 1.248(10) . ?
O8 C9 1.264(10) . ?
C1 H1 0.9500 . ?
C1 C4 1.393(14) . ?
C1 C17 1.415(12) . ?
C4 C6 1.471(14) . ?
C4 C15 1.386(13) . ?
C7 C12 1.502(12) . ?
C8 C18 1.488(12) . ?
C9 C19 1.514(12) . ?
C10 H10 0.9500 . ?
C10 C11 1.393(12) . ?
C10 C12 1.375(14) . ?
C11 C14 1.401(13) . ?
C11 C17 1.488(11) . ?
C12 C13 1.414(13) . ?
C13 H13 0.9500 . ?
C13 C18 1.377(12) . ?
C14 H14 0.9500 . ?
C14 C18 1.384(13) . ?
C15 H15 0.9500 . ?
C15 C19 1.381(12) . ?
C16 H16 0.9500 . ?
C16 C17 1.397(13) . ?
C16 C19 1.384(13) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C2 N2 1.567(13) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C23 N2 1.55(3) . ?
N2 H2D 0.9100 . ?
N2 H2E 0.9100 . ?
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
_geom_torsion_publ_flag
Dy1 O1 C7 O2 -5.3(10) . . . . ?
Dy1 O1 C7 C12 173.5(8) . . . . ?
Dy1 O2 C7 O1 5.5(10) . . . . ?
Dy1 O2 C7 C12 -173.3(7) . . . . ?
Dy1 O3 C6 O4 -5.1(10) 4_566 . . . ?
Dy1 O3 C6 C4 171.4(8) 4_566 . . . ?
Dy1 O4 C6 O3 5.1(10) 4_566 . . . ?
Dy1 O4 C6 C4 -171.4(8) 4_566 . . . ?
Dy1 O5 C9 O8 7.9(14) 6_666 . . . ?
Dy1 O5 C9 C19 -172.3(6) 6_666 . . . ?
Dy1 O6 C8 O7 11.0(12) 2_674 . . . ?
Dy1 O6 C8 C18 -167.6(6) 2_674 . . . ?
Dy1 O7 C8 O6 4(4) 6_676 . . . ?
Dy1 O7 C8 C18 -177(3) 6_676 . . . ?
Dy1 O8 C9 O5 50.2(14) 2_664 . . . ?
Dy1 O8 C9 C19 -129.7(7) 2_664 . . . ?
O1 C7 C12 C10 -156.5(10) . . . . ?
O1 C7 C12 C13 23.4(15) . . . . ?
O2 C7 C12 C10 22.3(14) . . . . ?
O2 C7 C12 C13 -157.7(10) . . . . ?
O5 C9 C19 C15 170.7(9) . . . . ?
O5 C9 C19 C16 -10.7(13) . . . . ?
O6 C8 C18 C13 -147.4(9) . . . . ?
O6 C8 C18 C14 35.1(13) . . . . ?
O7 C8 C18 C13 33.9(13) . . . . ?
O7 C8 C18 C14 -143.5(10) . . . . ?
O8 C9 C19 C15 -9.4(13) . . . . ?
O8 C9 C19 C16 169.2(9) . . . . ?
C1 C4 C6 O3 -12.2(15) . . . . ?
C1 C4 C6 O4 164.4(9) . . . . ?
C1 C4 C15 C19 -1.6(14) . . . . ?
C4 C1 C17 C11 179.2(9) . . . . ?
C4 C1 C17 C16 0.7(15) . . . . ?
C4 C15 C19 C9 -180.0(9) . . . . ?
C4 C15 C19 C16 1.4(14) . . . . ?
C6 C4 C15 C19 178.1(9) . . . . ?
C7 C12 C13 C18 -177.9(9) . . . . ?
C10 C11 C14 C18 4.6(15) . . . . ?
C10 C11 C17 C1 -178.4(9) . . . . ?
C10 C11 C17 C16 0.0(15) . . . . ?
C10 C12 C13 C18 2.0(15) . . . . ?
C11 C10 C12 C7 179.3(9) . . . . ?
C11 C10 C12 C13 -0.6(15) . . . . ?
C11 C14 C18 C8 174.2(9) . . . . ?
C11 C14 C18 C13 -3.3(16) . . . . ?
C12 C10 C11 C14 -2.6(14) . . . . ?
C12 C10 C11 C17 179.3(9) . . . . ?
C12 C13 C18 C8 -177.5(9) . . . . ?
C12 C13 C18 C14 -0.1(15) . . . . ?
C14 C11 C17 C1 3.5(15) . . . . ?
C14 C11 C17 C16 -178.0(10) . . . . ?
C15 C4 C6 O3 168.0(10) . . . . ?
C15 C4 C6 O4 -15.4(15) . . . . ?
C17 C1 C4 C6 -179.2(9) . . . . ?
C17 C1 C4 C15 0.6(14) . . . . ?
C17 C11 C14 C18 -177.3(9) . . . . ?
C17 C16 C19 C9 -178.7(9) . . . . ?
C17 C16 C19 C15 -0.1(15) . . . . ?
C19 C16 C17 C1 -0.9(15) . . . . ?
C19 C16 C17 C11 -179.4(9) . . . . ?
