#------------------------------------------------------------------------------
#$Date: 2019-11-07 21:24:38 +0200 (Thu, 07 Nov 2019) $
#$Revision: 223501 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/34/7233402.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_7233402
loop_
_publ_author_name
'Bhattacharya, Sudeshna'
'Bala, Sukhen'
'Mondal, Raju'
_publ_section_title
;
 Ln-MOFs using a compartmental ligand with a unique combination of
 hard--soft terminals and their magnetic, gas adsorption and luminescence
 properties
;
_journal_issue                   37
_journal_name_full               CrystEngComm
_journal_page_first              5665
_journal_paper_doi               10.1039/C9CE01026B
_journal_volume                  21
_journal_year                    2019
_chemical_formula_sum            'C90 H90 Dy2 N18 O28'
_chemical_formula_weight         2196.79
_space_group_crystal_system      trigonal
_space_group_IT_number           143
_space_group_name_Hall           'P 3'
_space_group_name_H-M_alt        'P 3'
_symmetry_space_group_name_Hall  'P 3'
_symmetry_space_group_name_H-M   'P 3'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2016-03-08 deposited with the CCDC.    2019-08-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   19.1877(19)
_cell_length_b                   19.1877(19)
_cell_length_c                   8.5095(9)
_cell_measurement_reflns_used    2375
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      32.12
_cell_measurement_theta_min      2.68
_cell_volume                     2713.2(5)
_computing_cell_refinement       'Bruker APEX-2'
_computing_data_collection       'Bruker APEX-2'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_device_type  'Bruker APEX-2 CCD area detector'
_diffrn_measurement_method       '/w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1279
_diffrn_reflns_av_unetI/netI     0.1823
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.957
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            42867
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.877
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.762
_diffrn_reflns_theta_min         2.123
_exptl_absorpt_coefficient_mu    1.443
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8580
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS v.2.03 (Bruker, 2001), wR2(int)=0.0936 before correction'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.344
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1112
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.814
_refine_diff_density_min         -1.519
_refine_diff_density_rms         0.201
_refine_ls_abs_structure_details
;
 Flack x determined using 2304 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.48(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.997
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     348
_refine_ls_number_reflns         11728
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.997
_refine_ls_R_factor_all          0.1479
_refine_ls_R_factor_gt           0.0728
_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)+(0.0835P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1506
_refine_ls_wR_factor_ref         0.1859
_reflns_Friedel_coverage         0.833
_reflns_Friedel_fraction_full    0.979
_reflns_Friedel_fraction_max     0.797
_reflns_number_gt                6685
_reflns_number_total             11728
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9ce01026b2.cif
_cod_data_source_block           sbj171214_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7233401--7233402.cif.
;
_cod_original_cell_volume        2713.2(6)
_cod_database_code               7233402
_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.
;
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, 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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Dy1 Dy 0.3333 0.6667 0.87424(9) 0.0172(5) Uani 1 3 d S T P
Dy2 Dy 0.6667 1.3333 1.47243(9) 0.0176(5) Uani 1 3 d S T P
O1A O 0.5616(10) 1.2757(10) 1.2977(19) 0.023(4) Uani 1 1 d . . .
O1 O 0.4361(10) 0.7221(10) 1.056(2) 0.021(4) Uani 1 1 d . . .
N2A N 0.3996(11) 0.8159(11) 0.849(2) 0.016(4) Uani 1 1 d . . .
N3A N 0.3874(12) 0.8738(12) 0.933(2) 0.021(5) Uani 1 1 d . . .
N2 N 0.5964(13) 1.1758(12) 1.495(2) 0.021(4) Uani 1 1 d . . .
N3 N 0.6099(10) 1.1287(11) 1.419(2) 0.018(4) Uani 1 1 d . . .
H3A H 0.6543 1.1434 1.3705 0.021 Uiso 1 1 calc R U .
O2A O 0.4356(9) 1.2389(10) 1.2843(18) 0.021(3) Uani 1 1 d . . .
O2 O 0.5719(11) 0.7665(11) 1.066(2) 0.038(5) Uani 1 1 d . . .
C12A C 0.4781(10) 1.1546(9) 1.1669(18) 0.017(5) Uiso 1 1 d . . .
C9A C 0.4603(11) 1.0193(11) 0.999(2) 0.024(5) Uani 1 1 d . . .
C9 C 0.5447(9) 0.9832(7) 1.3378(17) 0.017(5) Uani 1 1 d G . .
C10 C 0.4691(8) 0.9144(9) 1.3345(18) 0.030(7) Uani 1 1 d G . .
H10A H 0.4262 0.9136 1.3870 0.036 Uiso 1 1 calc R U .
C11 C 0.4577(7) 0.8468(7) 1.253(2) 0.021(6) Uiso 1 1 d G . .
H11B H 0.4072 0.8007 1.2506 0.026 Uiso 1 1 calc R U .
C12 C 0.5219(9) 0.8479(7) 1.1745(18) 0.025(6) Uani 1 1 d G . .
C13 C 0.5974(8) 0.9168(9) 1.1777(17) 0.025(6) Uani 1 1 d G . .
H13A H 0.6403 0.9175 1.1253 0.030 Uiso 1 1 calc R U .
C14 C 0.6088(7) 0.9844(7) 1.2594(17) 0.023(5) Uani 1 1 d G . .
H14A H 0.664(7) 1.035(6) 1.262(3) 0.027 Uiso 1 1 d R U .
C6 C 0.5261(15) 1.1345(15) 1.564(3) 0.017(5) Uiso 1 1 d . . .
C10A C 0.5335(9) 1.0903(10) 1.0071(18) 0.016(5) Uani 1 1 d . . .
H10B H 0.5775 1.0935 0.9545 0.019 Uiso 1 1 calc R U .
C6A C 0.4749(15) 0.8612(14) 0.790(3) 0.018(5) Uani 1 1 d . . .
C15 C 0.5083(14) 0.7729(14) 1.090(2) 0.016(5) Uiso 1 1 d . . .
C8 C 0.5495(14) 1.0539(15) 1.421(3) 0.024(6) Uani 1 1 d . . .
C8A C 0.4547(13) 0.9507(12) 0.913(2) 0.018(5) Uani 1 1 d . . .
C15A C 0.4906(17) 1.2267(16) 1.253(3) 0.031(7) Uani 1 1 d . . .
C11A C 0.5434(9) 1.1565(10) 1.090(2) 0.025(6) Uani 1 1 d . . .
H11A H 0.5939 1.2026 1.0955 0.031 Uiso 1 1 calc R U .
C14A C 0.3955(10) 1.0170(10) 1.075(2) 0.026(6) Uani 1 1 d . . .
H14C H 0.3456 0.9700 1.0727 0.031 Uiso 1 1 calc R U .
C7 C 0.4925(17) 1.0554(15) 1.517(3) 0.037(6) Uani 1 1 d . . .
H7A H 0.4424 1.0125 1.5441 0.044 Uiso 1 1 calc R U .
C13A C 0.4036(11) 1.0829(12) 1.155(2) 0.030(6) Uani 1 1 d . . .
H13B H 0.3586 1.0801 1.2029 0.036 Uiso 1 1 calc R U .
C7A C 0.5101(11) 0.9437(11) 0.8244(19) 0.009(3) Uani 1 1 d . . .
H7AA H 0.5606 0.9847 0.7933 0.011 Uiso 1 1 calc R U .
O2W O 0.7170(6) 0.8181(7) 1.2088(14) 0.053(3) Uani 1 1 d . . .
O3W O 0.1936(13) 0.0259(13) 0.013(3) 0.147(8) Uiso 1 1 d . . .
O1W O 0.278(3) 1.156(3) 1.240(5) 0.32(2) Uiso 1 1 d . . .
O6W O 0.0000 0.0000 0.044(8) 0.28(3) Uiso 1 3 d S . P
O4W O 0.7531(14) 1.0067(15) 1.860(3) 0.163(9) Uiso 1 1 d . . .
O5W O 0.7828(17) 0.7973(17) 1.727(4) 0.197(11) Uiso 1 1 d . . .
N1 N 0.5465(13) 1.2563(13) 1.683(2) 0.025(5) Uani 1 1 d . . .
C1 C 0.5260(16) 1.2989(15) 1.786(3) 0.028(6) Uani 1 1 d . . .
H1A H 0.5615 1.3535 1.8017 0.034 Uiso 1 1 calc R U .
C5 C 0.4933(16) 1.1793(16) 1.657(3) 0.022(6) Uiso 1 1 d . . .
C4 C 0.4197(15) 1.1410(16) 1.727(3) 0.025(6) Uani 1 1 d . . .
H4A H 0.3838 1.0872 1.7051 0.030 Uiso 1 1 calc R U .
C2 C 0.4531(15) 1.2615(14) 1.866(3) 0.026(5) Uani 1 1 d . . .
H2A H 0.4408 1.2891 1.9406 0.031 Uiso 1 1 calc R U .
C3 C 0.3990(15) 1.1815(16) 1.830(4) 0.039(8) Uani 1 1 d . . .
H3B H 0.3484 1.1558 1.8765 0.046 Uiso 1 1 calc R U .
N1A N 0.4496(12) 0.7410(11) 0.661(2) 0.018(4) Uani 1 1 d . . .
C1A C 0.4760(14) 0.7064(15) 0.564(3) 0.022(5) Uani 1 1 d . . .
H1AA H 0.4409 0.6525 0.5408 0.026 Uiso 1 1 calc R U .
C5A C 0.5021(13) 0.8211(14) 0.682(3) 0.016(5) Uani 1 1 d . . .
C4A C 0.5794(15) 0.8637(15) 0.614(3) 0.026(6) Uani 1 1 d . . .
H4AA H 0.6136 0.9179 0.6360 0.032 Uiso 1 1 calc R U .
C2A C 0.5498(16) 0.7411(16) 0.492(3) 0.040(7) Uani 1 1 d . . .
H2AA H 0.5642 0.7106 0.4292 0.047 Uiso 1 1 calc R U .
C3A C 0.6024(16) 0.8219(16) 0.515(3) 0.030(6) Uiso 1 1 d . . .
H3AB H 0.6521 0.8476 0.4649 0.036 Uiso 1 1 calc R U .
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
O1 Dy1 O1 79.9(7) . 3_565
O1 Dy1 O1 79.9(7) . 2_665
O1 Dy1 O1 79.9(7) 3_565 2_665
O1 Dy1 N2A 142.8(6) . 2_665
O1 Dy1 N2A 71.1(6) 3_565 2_665
O1 Dy1 N2A 72.6(6) 2_665 2_665
O1 Dy1 N2A 72.6(6) . .
O1 Dy1 N2A 142.8(6) 3_565 .
O1 Dy1 N2A 71.1(6) 2_665 .
N2A Dy1 N2A 119.28(13) 2_665 .
O1 Dy1 N2A 71.1(6) . 3_565
O1 Dy1 N2A 72.6(6) 3_565 3_565
O1 Dy1 N2A 142.8(6) 2_665 3_565
N2A Dy1 N2A 119.27(14) 2_665 3_565
N2A Dy1 N2A 119.28(14) . 3_565
O1 Dy1 N1A 141.2(5) . 2_665
O1 Dy1 N1A 132.3(5) 3_565 2_665
O1 Dy1 N1A 85.2(6) 2_665 2_665
N2A Dy1 N1A 61.2(6) 2_665 2_665
N2A Dy1 N1A 68.8(6) . 2_665
N2A Dy1 N1A 132.0(6) 3_565 2_665
O1 Dy1 N1A 85.2(6) . .
O1 Dy1 N1A 141.2(5) 3_565 .
O1 Dy1 N1A 132.3(5) 2_665 .
N2A Dy1 N1A 132.0(6) 2_665 .
N2A Dy1 N1A 61.2(6) . .
N2A Dy1 N1A 68.8(6) 3_565 .
N1A Dy1 N1A 78.8(6) 2_665 .
O1 Dy1 N1A 132.3(5) . 3_565
O1 Dy1 N1A 85.2(6) 3_565 3_565
O1 Dy1 N1A 141.2(5) 2_665 3_565
N2A Dy1 N1A 68.8(6) 2_665 3_565
N2A Dy1 N1A 132.0(6) . 3_565
N2A Dy1 N1A 61.2(6) 3_565 3_565
N1A Dy1 N1A 78.8(6) 2_665 3_565
N1A Dy1 N1A 78.8(6) . 3_565
O1A Dy2 O1A 82.5(7) 2_775 .
O1A Dy2 O1A 82.5(7) 2_775 3_575
O1A Dy2 O1A 82.5(7) . 3_575
O1A Dy2 N2 70.4(6) 2_775 .
O1A Dy2 N2 70.8(6) . .
O1A Dy2 N2 143.9(6) 3_575 .
O1A Dy2 N2 70.8(6) 2_775 2_775
O1A Dy2 N2 143.9(6) . 2_775
O1A Dy2 N2 70.4(6) 3_575 2_775
N2 Dy2 N2 119.46(13) . 2_775
O1A Dy2 N2 143.9(6) 2_775 3_575
O1A Dy2 N2 70.4(6) . 3_575
O1A Dy2 N2 70.8(6) 3_575 3_575
N2 Dy2 N2 119.46(14) . 3_575
N2 Dy2 N2 119.46(13) 2_775 3_575
O1A Dy2 N1 131.4(6) 2_775 .
O1A Dy2 N1 82.1(6) . .
O1A Dy2 N1 139.9(6) 3_575 .
N2 Dy2 N1 61.0(7) . .
N2 Dy2 N1 134.0(7) 2_775 .
N2 Dy2 N1 69.1(6) 3_575 .
O1A Dy2 N1 82.1(6) 2_775 2_775
O1A Dy2 N1 139.9(6) . 2_775
O1A Dy2 N1 131.4(6) 3_575 2_775
N2 Dy2 N1 69.1(6) . 2_775
N2 Dy2 N1 61.0(7) 2_775 2_775
N2 Dy2 N1 134.0(6) 3_575 2_775
N1 Dy2 N1 80.9(7) . 2_775
O1A Dy2 N1 139.9(6) 2_775 3_575
O1A Dy2 N1 131.4(6) . 3_575
O1A Dy2 N1 82.1(6) 3_575 3_575
N2 Dy2 N1 134.0(7) . 3_575
N2 Dy2 N1 69.1(6) 2_775 3_575
N2 Dy2 N1 61.0(7) 3_575 3_575
N1 Dy2 N1 80.9(7) . 3_575
N1 Dy2 N1 80.9(7) 2_775 3_575
C15A O1A Dy2 155.6(18) . .
C15 O1 Dy1 149.8(15) . .
C6A N2A N3A 102.7(18) . .
C6A N2A Dy1 122.4(15) . .
N3A N2A Dy1 131.4(13) . .
C8A N3A N2A 109.6(18) . .
N3 N2 C6 108(2) . .
N3 N2 Dy2 128.7(16) . .
C6 N2 Dy2 120.6(17) . .
N2 N3 C8 113.5(19) . .
N2 N3 H3A 123.2 . .
C8 N3 H3A 123.2 . .
C11A C12A C13A 116.9(11) . .
C11A C12A C15A 119.0(17) . .
C13A C12A C15A 124.1(17) . .
C14A C9A C10A 117.4(12) . .
C14A C9A C8A 123.1(17) . .
C10A C9A C8A 119.5(16) . .
C10 C9 C14 120.0 . .
C10 C9 C8 115.8(13) . .
C14 C9 C8 124.2(13) . .
C9 C10 C11 120.0 . .
C9 C10 H10A 120.0 . .
C11 C10 H10A 120.0 . .
C12 C11 C10 120.0 . .
C12 C11 H11B 120.0 . .
C10 C11 H11B 120.0 . .
C13 C12 C11 120.0 . .
C13 C12 C15 121.1(13) . .
C11 C12 C15 118.9(13) . .
C12 C13 C14 120.0 . .
C12 C13 H13A 120.0 . .
C14 C13 H13A 120.0 . .
C13 C14 C9 120.0 . .
C13 C14 H14A 120.0 . .
C9 C14 H14A 120.0 . .
N2 C6 C7 108(2) . .
N2 C6 C5 119(2) . .
C7 C6 C5 133(2) . .
C11A C10A C9A 122.4(11) . .
C11A C10A H10B 118.8 . .
C9A C10A H10B 118.8 . .
N2A C6A C7A 114(2) . .
N2A C6A C5A 116(2) . .
C7A C6A C5A 129(2) . .
O1 C15 O2 127(2) . .
O1 C15 C12 116(2) . .
O2 C15 C12 116(2) . .
N3 C8 C7 105(2) . .
N3 C8 C9 127.4(19) . .
C7 C8 C9 128(2) . .
C7A C8A N3A 108.3(19) . .
C7A C8A C9A 131.0(19) . .
N3A C8A C9A 120(2) . .
O2A C15A O1A 121(3) . .
O2A C15A C12A 122(2) . .
O1A C15A C12A 117(2) . .
C10A C11A C12A 120.3(10) . .
C10A C11A H11A 119.8 . .
C12A C11A H11A 119.8 . .
C13A C14A C9A 121.1(13) . .
C13A C14A H14C 119.5 . .
C9A C14A H14C 119.5 . .
C8 C7 C6 105(2) . .
C8 C7 H7A 127.6 . .
C6 C7 H7A 127.6 . .
C14A C13A C12A 121.8(12) . .
C14A C13A H13B 119.1 . .
C12A C13A H13B 119.1 . .
C8A C7A C6A 105.4(18) . .
C8A C7A H7AA 127.3 . .
C6A C7A H7AA 127.3 . .
C5 N1 C1 118(2) . .
C5 N1 Dy2 117.9(17) . .
C1 N1 Dy2 120.9(16) . .
N1 C1 C2 121(2) . .
N1 C1 H1A 119.5 . .
C2 C1 H1A 119.5 . .
N1 C5 C4 123(3) . .
N1 C5 C6 114(2) . .
C4 C5 C6 122(2) . .
C3 C4 C5 120(3) . .
C3 C4 H4A 120.1 . .
C5 C4 H4A 120.1 . .
C1 C2 C3 118(2) . .
C1 C2 H2A 121.1 . .
C3 C2 H2A 121.1 . .
C4 C3 C2 120(2) . .
C4 C3 H3B 119.8 . .
C2 C3 H3B 119.8 . .
C1A N1A C5A 114(2) . .
C1A N1A Dy1 126.2(15) . .
C5A N1A Dy1 117.4(15) . .
N1A C1A C2A 127(2) . .
N1A C1A H1AA 116.5 . .
C2A C1A H1AA 116.5 . .
N1A C5A C4A 125(2) . .
N1A C5A C6A 115(2) . .
C4A C5A C6A 120(2) . .
C3A C4A C5A 118(2) . .
C3A C4A H4AA 121.2 . .
C5A C4A H4AA 121.2 . .
C1A C2A C3A 119(2) . .
C1A C2A H2AA 120.6 . .
C3A C2A H2AA 120.6 . .
C2A C3A C4A 118(2) . .
C2A C3A H3AB 120.8 . .
C4A C3A H3AB 120.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O1 2.305(16) .
Dy1 O1 2.305(16) 3_565
Dy1 O1 2.305(16) 2_665
Dy1 N2A 2.494(19) 2_665
Dy1 N2A 2.494(19) .
Dy1 N2A 2.494(19) 3_565
Dy1 N1A 2.67(2) 2_665
Dy1 N1A 2.67(2) .
Dy1 N1A 2.67(2) 3_565
Dy2 O1A 2.295(16) 2_775
Dy2 O1A 2.295(16) .
Dy2 O1A 2.295(16) 3_575
Dy2 N2 2.630(19) .
Dy2 N2 2.630(19) 2_775
Dy2 N2 2.630(19) 3_575
Dy2 N1 2.70(2) .
Dy2 N1 2.70(2) 2_775
Dy2 N1 2.70(2) 3_575
O1A C15A 1.27(3) .
O1 C15 1.27(3) .
N2A C6A 1.36(3) .
N2A N3A 1.43(2) .
N3A C8A 1.40(3) .
N2 N3 1.24(3) .
N2 C6 1.31(3) .
N3 C8 1.32(3) .
N3 H3A 0.8600 .
O2A C15A 1.22(3) .
O2 C15 1.30(3) .
C12A C11A 1.397(16) .
C12A C13A 1.406(17) .
C12A C15A 1.48(3) .
C9A C14A 1.385(19) .
C9A C10A 1.385(17) .
C9A C8A 1.46(3) .
C9 C10 1.3900 .
C9 C14 1.3900 .
C9 C8 1.49(2) .
C10 C11 1.3900 .
C10 H10A 0.9300 .
C11 C12 1.3900 .
C11 H11B 0.9300 .
C12 C13 1.3900 .
C12 C15 1.51(2) .
C13 C14 1.3900 .
C13 H13A 0.9300 .
C14 H14A 1.02(13) .
C6 C7 1.38(3) .
C6 C5 1.52(3) .
C10A C11A 1.382(16) .
C10A H10B 0.9300 .
C6A C7A 1.41(3) .
C6A C5A 1.45(3) .
C8 C7 1.38(3) .
C8A C7A 1.36(3) .
C11A H11A 0.9300 .
C14A C13A 1.375(18) .
C14A H14C 0.9300 .
C7 H7A 0.9300 .
C13A H13B 0.9300 .
C7A H7AA 0.9300 .
N1 C5 1.33(3) .
N1 C1 1.38(3) .
C1 C2 1.39(3) .
C1 H1A 0.9300 .
C5 C4 1.36(4) .
C4 C3 1.35(4) .
C4 H4A 0.9300 .
C2 C3 1.39(3) .
C2 H2A 0.9300 .
C3 H3B 0.9300 .
N1A C1A 1.31(3) .
N1A C5A 1.37(3) .
C1A C2A 1.37(3) .
C1A H1AA 0.9300 .
C5A C4A 1.41(3) .
C4A C3A 1.38(3) .
C4A H4AA 0.9300 .
C2A C3A 1.38(4) .
C2A H2AA 0.9300 .
C3A H3AB 0.9300 .
