#------------------------------------------------------------------------------
#$Date: 2020-04-05 13:46:53 +0300 (Sun, 05 Apr 2020) $
#$Revision: 250282 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/34/7703453.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_7703453
loop_
_publ_author_name
'Yu, Ke-Xin'
'Ding, You-Song'
'Zhai, Yuan-Qi'
'Han, Tian'
'Zheng, Yan-Zhen'
_publ_section_title
;
 Equatorial coordination optimization for enhanced axiality of mononuclear
 Dy(iii) single-molecule magnets.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3222
_journal_page_last               3227
_journal_paper_doi               10.1039/d0dt00011f
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety
'C12 H32 B2 Dy O6, C20 H40 Na O8, 2(C24 H20 B)'
_chemical_formula_sum            'C80 H112 B4 Dy Na O14'
_chemical_formula_weight         1526.42
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2019-02-08
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-11-29 deposited with the CCDC.	2020-02-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.305(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.208(4)
_cell_length_b                   18.045(6)
_cell_length_c                   20.555(7)
_cell_measurement_reflns_used    9903
_cell_measurement_temperature    250(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.23
_cell_volume                     4077(2)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution
;
%$getVar(solution_reference_short)%
;
_diffrn_ambient_temperature      250.15
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0161
_diffrn_reflns_av_unetI/netI     0.0203
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            20977
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.997
_diffrn_reflns_theta_min         1.515
_exptl_absorpt_coefficient_mu    0.981
_exptl_crystal_colour            COLORLESS
_exptl_crystal_density_diffrn    1.243
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1602
_exptl_crystal_size_max          0.687
_exptl_crystal_size_mid          0.148
_exptl_crystal_size_min          0.136
_refine_diff_density_max         1.198
_refine_diff_density_min         -0.800
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     446
_refine_ls_number_reflns         7925
_refine_ls_number_restraints     47
_refine_ls_restrained_S_all      1.158
_refine_ls_R_factor_all          0.0467
_refine_ls_R_factor_gt           0.0343
_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)+(0.0549P)²+4.0465P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0989
_refine_ls_wR_factor_ref         0.1084
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6106
_reflns_number_total             7925
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt00011f2.cif
_cod_data_source_block           1_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7703452--7703454.cif.'
_cod_database_code               7703453
_shelx_shelxl_version_number     2018/3
_publ_section_exptl
;
Any special experimental details
;
_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.
;
_shelx_estimated_absorpt_t_max   0.878
_shelx_estimated_absorpt_t_min   0.552
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 C40-O7 = C37-O7
 1.43 with sigma of 0.01
 C37-C38 = C38-C39 = C39-C40
 1.5 with sigma of 0.01
 C37-C39 = C38-C40
 2.4 with sigma of 0.01
 B2-H2A = B2-H2D = B2-H2C = B2-H2B
 1 with sigma of 0.02
 H2A-H2B = H2C-H2A = H2C-H2B = H2D-H2B = H2D-H2A = H2D-H2C
 1.8 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C37) \\sim Ueq, Uanis(C38) \\sim Ueq, Uanis(C39) \\sim Ueq, Uanis(C40)
\\sim Ueq, Uanis(O7) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms
of 0.02
Uanis(C37) = Uanis(C38) = Uanis(C39) = Uanis(C40) = Uanis(O7)
4.a Secondary CH2 refined with riding coordinates:
 C25(H25A,H25B), C26(H26A,H26B), C27(H27A,H27B), C28(H28A,H28B), C29(H29A,
 H29B), C30(H30A,H30B), C31(H31A,H31B), C32(H32A,H32B), C33(H33A,H33B),
 C34(H34A,H34B), C35(H35A,H35B), C36(H36A,H36B), C37(H37A,H37B), C39(H39A,H39B),
  C40(H40A,H40B), C38(H38A,H38B)
4.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C21(H21),
  C22(H22), C23(H23), C24(H24)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 0.500000 0.500000 0.500000 0.03256(8) Uani 1 2 d S T P
O1 O 0.2892(2) 0.46954(15) 0.43215(12) 0.0434(5) Uani 1 1 d . . .
O2 O 0.4267(2) 0.56507(14) 0.38747(12) 0.0482(6) Uani 1 1 d . . .
O3 O 0.6328(2) 0.60253(13) 0.45933(12) 0.0449(6) Uani 1 1 d . . .
O4 O 0.4306(3) 0.36779(15) -0.05989(15) 0.0628(7) Uani 1 1 d . . .
O5 O 0.2528(3) 0.4735(2) -0.05289(17) 0.0749(9) Uani 1 1 d . . .
O6 O 0.6639(3) 0.38564(18) 0.01604(18) 0.0780(9) Uani 1 1 d . . .
B1 B 0.0490(3) 0.3222(2) 0.68712(19) 0.0372(8) Uani 1 1 d . . .
B2 B 0.5975(3) 0.40090(19) 0.44057(19) 0.0344(8) Uani 1 1 d D . .
C1 C 0.0452(3) 0.2931(2) 0.61046(17) 0.0425(8) Uani 1 1 d . . .
C2 C -0.0152(3) 0.3315(2) 0.55470(19) 0.0544(10) Uani 1 1 d . . .
H2 H -0.046464 0.378804 0.560666 0.065 Uiso 1 1 calc R . .
C3 C -0.0315(4) 0.3028(3) 0.4905(2) 0.0650(12) Uani 1 1 d . . .
H3 H -0.074886 0.330149 0.454569 0.078 Uiso 1 1 calc R . .
C4 C 0.0159(4) 0.2348(3) 0.4797(2) 0.0660(12) Uani 1 1 d . . .
H4 H 0.006187 0.215524 0.436523 0.079 Uiso 1 1 calc R . .
C5 C 0.0773(4) 0.1953(2) 0.5327(2) 0.0601(11) Uani 1 1 d . . .
H5 H 0.109991 0.148651 0.525874 0.072 Uiso 1 1 calc R . .
C6 C 0.0917(3) 0.2240(2) 0.59652(19) 0.0483(8) Uani 1 1 d . . .
H6 H 0.134518 0.195751 0.631968 0.058 Uiso 1 1 calc R . .
C7 C -0.0770(3) 0.29304(18) 0.70960(18) 0.0423(8) Uani 1 1 d . . .
C8 C -0.1785(3) 0.2672(2) 0.6651(2) 0.0536(9) Uani 1 1 d . . .
H8 H -0.175950 0.266133 0.619691 0.064 Uiso 1 1 calc R . .
C9 C -0.2836(4) 0.2429(2) 0.6851(3) 0.0699(13) Uani 1 1 d . . .
H9 H -0.349035 0.224809 0.653257 0.084 Uiso 1 1 calc R . .
C10 C -0.2927(4) 0.2451(3) 0.7502(3) 0.0748(15) Uani 1 1 d . . .
H10 H -0.364494 0.229580 0.763363 0.090 Uiso 1 1 calc R . .
C11 C -0.1950(4) 0.2703(3) 0.7966(3) 0.0687(13) Uani 1 1 d . . .
H11 H -0.199784 0.272271 0.841734 0.082 Uiso 1 1 calc R . .
C12 C -0.0896(4) 0.2929(2) 0.7762(2) 0.0539(10) Uani 1 1 d . . .
H12 H -0.023373 0.308842 0.808589 0.065 Uiso 1 1 calc R . .
C13 C 0.1684(3) 0.28498(18) 0.73564(16) 0.0368(7) Uani 1 1 d . . .
C14 C 0.2829(3) 0.3190(2) 0.74726(17) 0.0428(8) Uani 1 1 d . . .
H14 H 0.289431 0.367090 0.730747 0.051 Uiso 1 1 calc R . .
C15 C 0.3877(4) 0.2849(2) 0.7822(2) 0.0561(10) Uani 1 1 d . . .
H15 H 0.462888 0.309643 0.788322 0.067 Uiso 1 1 calc R . .
C16 C 0.3806(4) 0.2142(2) 0.8077(2) 0.0611(11) Uani 1 1 d . . .
H16 H 0.450901 0.190159 0.830534 0.073 Uiso 1 1 calc R . .
C17 C 0.2699(4) 0.1803(2) 0.7992(2) 0.0608(11) Uani 1 1 d . . .
H17 H 0.263745 0.132963 0.817440 0.073 Uiso 1 1 calc R . .
C18 C 0.1656(4) 0.21463(19) 0.76395(19) 0.0495(9) Uani 1 1 d . . .
H18 H 0.090784 0.189657 0.759012 0.059 Uiso 1 1 calc R . .
C19 C 0.0603(3) 0.41314(18) 0.69343(17) 0.0390(7) Uani 1 1 d . . .
C20 C 0.1270(4) 0.4548(2) 0.6554(2) 0.0550(10) Uani 1 1 d . . .
H20 H 0.161821 0.430215 0.623367 0.066 Uiso 1 1 calc R . .
C21 C 0.1440(4) 0.5309(3) 0.6628(3) 0.0721(13) Uani 1 1 d . . .
H21 H 0.189781 0.556466 0.636285 0.086 Uiso 1 1 calc R . .
C22 C 0.0939(4) 0.5691(2) 0.7091(3) 0.0726(14) Uani 1 1 d . . .
H22 H 0.105120 0.620527 0.714303 0.087 Uiso 1 1 calc R . .
C23 C 0.0276(4) 0.5308(3) 0.7471(2) 0.0618(11) Uani 1 1 d . . .
H23 H -0.007689 0.556288 0.778446 0.074 Uiso 1 1 calc R . .
C24 C 0.0120(3) 0.4547(2) 0.73982(18) 0.0467(8) Uani 1 1 d . . .
H24 H -0.033014 0.429879 0.767240 0.056 Uiso 1 1 calc R . .
C25 C 0.2025(3) 0.4240(2) 0.4574(2) 0.0578(10) Uani 1 1 d . . .
H25A H 0.140857 0.404688 0.420816 0.069 Uiso 1 1 calc R . .
H25B H 0.161721 0.452834 0.487020 0.069 Uiso 1 1 calc R . .
C26 C 0.2305(4) 0.5256(3) 0.3874(2) 0.0617(11) Uani 1 1 d . . .
H26A H 0.211660 0.569086 0.412169 0.074 Uiso 1 1 calc R . .
H26B H 0.154499 0.506562 0.360757 0.074 Uiso 1 1 calc R . .
C27 C 0.3157(4) 0.5453(2) 0.3449(2) 0.0605(11) Uani 1 1 d . . .
H27A H 0.328221 0.503082 0.316949 0.073 Uiso 1 1 calc R . .
H27B H 0.284190 0.586992 0.316059 0.073 Uiso 1 1 calc R . .
C28 C 0.5126(4) 0.5993(2) 0.35401(19) 0.0566(10) Uani 1 1 d . . .
H28A H 0.470548 0.627849 0.315761 0.068 Uiso 1 1 calc R . .
H28B H 0.563596 0.561763 0.338395 0.068 Uiso 1 1 calc R . .
C29 C 0.5873(4) 0.6485(2) 0.40298(19) 0.0526(9) Uani 1 1 d . . .
H29A H 0.654532 0.669683 0.384964 0.063 Uiso 1 1 calc R . .
H29B H 0.537936 0.689070 0.415305 0.063 Uiso 1 1 calc R . .
C30 C 0.7267(3) 0.6371(2) 0.50622(19) 0.0525(9) Uani 1 1 d . . .
H30A H 0.692012 0.668652 0.536586 0.063 Uiso 1 1 calc R . .
H30B H 0.778412 0.667609 0.483591 0.063 Uiso 1 1 calc R . .
C31 C 0.1841(5) 0.5377(4) -0.0773(3) 0.101(2) Uani 1 1 d . . .
H31A H 0.096953 0.526121 -0.085656 0.121 Uiso 1 1 calc R . .
H31B H 0.205312 0.553639 -0.119159 0.121 Uiso 1 1 calc R . .
C32 C 0.2319(5) 0.4143(3) -0.0987(3) 0.0753(13) Uani 1 1 d . . .
H32A H 0.255151 0.429045 -0.140388 0.090 Uiso 1 1 calc R . .
H32B H 0.145251 0.401465 -0.108170 0.090 Uiso 1 1 calc R . .
C33 C 0.3043(4) 0.3498(2) -0.0704(2) 0.0679(12) Uani 1 1 d . . .
H33A H 0.282396 0.335927 -0.028138 0.082 Uiso 1 1 calc R . .
H33B H 0.287124 0.307600 -0.100730 0.082 Uiso 1 1 calc R . .
C34 C 0.5029(5) 0.3076(3) -0.0319(3) 0.0785(14) Uani 1 1 d . . .
H34A H 0.480906 0.263110 -0.058929 0.094 Uiso 1 1 calc R . .
H34B H 0.489110 0.297718 0.012883 0.094 Uiso 1 1 calc R . .
C35 C 0.6328(5) 0.3261(3) -0.0293(3) 0.0874(16) Uani 1 1 d . . .
H35A H 0.683986 0.282893 -0.014455 0.105 Uiso 1 1 calc R . .
H35B H 0.645412 0.340477 -0.073385 0.105 Uiso 1 1 calc R . .
C36 C 0.7884(5) 0.4018(3) 0.0270(4) 0.1014(19) Uani 1 1 d . . .
H36A H 0.810957 0.417469 -0.014657 0.122 Uiso 1 1 calc R . .
H36B H 0.835642 0.357450 0.042954 0.122 Uiso 1 1 calc R . .
Na1 Na 0.500000 0.500000 0.000000 0.0721(7) Uani 1 2 d S T P
O7 O 0.4533(6) 0.4622(5) 0.0990(3) 0.1786(15) Uani 1 1 d D U .
C37 C 0.3466(8) 0.4316(6) 0.1111(4) 0.1786(15) Uani 1 1 d D U .
H37A H 0.350792 0.377385 0.112711 0.214 Uiso 1 1 calc R . .
H37B H 0.276204 0.446853 0.077500 0.214 Uiso 1 1 calc R . .
C39 C 0.4806(8) 0.4507(7) 0.2114(4) 0.1786(15) Uani 1 1 d D U .
H39A H 0.506320 0.485188 0.248315 0.214 Uiso 1 1 calc R . .
H39B H 0.494186 0.399762 0.227762 0.214 Uiso 1 1 calc R . .
C40 C 0.5433(7) 0.4648(7) 0.1584(4) 0.1786(15) Uani 1 1 d D U .
H40A H 0.582272 0.513673 0.163728 0.214 Uiso 1 1 calc R . .
H40B H 0.605995 0.427171 0.157584 0.214 Uiso 1 1 calc R . .
C38 C 0.3420(7) 0.4637(7) 0.1772(4) 0.1786(15) Uani 1 1 d D U .
H38A H 0.286059 0.436545 0.199664 0.214 Uiso 1 1 calc R . .
H38B H 0.320407 0.516359 0.174404 0.214 Uiso 1 1 calc R . .
H2A H 0.635(3) 0.3571(15) 0.4154(16) 0.067(12) Uiso 1 1 d D . .
H2B H 0.661(3) 0.4466(16) 0.450(2) 0.113(19) Uiso 1 1 d D . .
H2C H 0.515(3) 0.421(2) 0.4094(19) 0.15(3) Uiso 1 1 d D . .
H2D H 0.577(4) 0.381(2) 0.4860(13) 0.116(19) Uiso 1 1 d 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'
B B 0.0013 0.0007 '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'
Na Na 0.0362 0.0249 '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 O1 180.0 3_666 .
O1 Dy1 O2 60.73(8) . .
O1 Dy1 O2 60.73(8) 3_666 3_666
O1 Dy1 O2 119.27(8) 3_666 .
O1 Dy1 O2 119.27(8) . 3_666
O1 Dy1 O3 120.07(8) . .
O1 Dy1 O3 59.93(8) . 3_666
O1 Dy1 O3 120.07(8) 3_666 3_666
O1 Dy1 O3 59.93(8) 3_666 .
O2 Dy1 O2 180.0 3_666 .
O2 Dy1 O3 59.47(8) . .
O2 Dy1 O3 59.47(8) 3_666 3_666
O2 Dy1 O3 120.53(8) . 3_666
O2 Dy1 O3 120.53(8) 3_666 .
O3 Dy1 O3 180.0 . 3_666
B2 Dy1 O1 88.57(10) . 3_666
B2 Dy1 O1 91.43(10) 3_666 3_666
B2 Dy1 O1 88.57(10) 3_666 .
B2 Dy1 O1 91.43(10) . .
B2 Dy1 O2 88.88(11) 3_666 3_666
B2 Dy1 O2 91.11(11) . 3_666
B2 Dy1 O2 91.12(11) 3_666 .
B2 Dy1 O2 88.88(11) . .
B2 Dy1 O3 88.91(11) 3_666 .
B2 Dy1 O3 88.91(11) . 3_666
B2 Dy1 O3 91.09(11) . .
B2 Dy1 O3 91.09(11) 3_666 3_666
B2 Dy1 B2 180.00(14) . 3_666
C25 O1 Dy1 122.8(2) . .
C26 O1 Dy1 117.1(2) . .
C26 O1 C25 112.0(3) . .
C27 O2 Dy1 121.7(2) . .
C27 O2 C28 113.8(3) . .
C28 O2 Dy1 120.2(2) . .
C29 O3 Dy1 122.2(2) . .
C30 O3 Dy1 119.1(2) . .
C30 O3 C29 113.0(3) . .
C33 O4 Na1 117.0(2) . .
C34 O4 C33 111.1(3) . .
C34 O4 Na1 113.6(3) . .
C31 O5 Na1 114.9(3) . .
C32 O5 C31 111.8(4) . .
C32 O5 Na1 114.1(3) . .
C35 O6 Na1 114.8(3) . .
C36 O6 C35 111.8(4) . .
C36 O6 Na1 119.1(3) . .
C1 B1 C7 107.5(3) . .
C13 B1 C1 108.3(3) . .
C13 B1 C7 109.8(3) . .
C13 B1 C19 108.5(3) . .
C19 B1 C1 112.2(3) . .
C19 B1 C7 110.5(3) . .
C2 C1 B1 122.9(3) . .
C2 C1 C6 114.4(3) . .
C6 C1 B1 122.4(3) . .
C1 C2 C3 123.0(4) . .
C4 C3 C2 120.0(4) . .
C5 C4 C3 119.2(4) . .
C4 C5 C6 120.3(4) . .
C5 C6 C1 123.0(4) . .
C8 C7 B1 123.7(3) . .
C8 C7 C12 114.5(3) . .
C12 C7 B1 121.8(3) . .
C9 C8 C7 122.8(4) . .
C10 C9 C8 120.7(4) . .
C9 C10 C11 119.1(4) . .
C10 C11 C12 119.6(4) . .
C11 C12 C7 123.3(4) . .
C14 C13 B1 122.2(3) . .
C18 C13 B1 122.7(3) . .
C18 C13 C14 114.9(3) . .
C15 C14 C13 123.1(3) . .
C16 C15 C14 119.7(4) . .
C17 C16 C15 118.8(4) . .
C16 C17 C18 121.0(4) . .
C17 C18 C13 122.3(4) . .
C20 C19 B1 122.1(3) . .
C24 C19 B1 123.5(3) . .
C24 C19 C20 114.3(3) . .
C21 C20 C19 123.0(4) . .
C22 C21 C20 120.2(4) . .
C23 C22 C21 118.8(4) . .
C22 C23 C24 120.6(4) . .
C23 C24 C19 123.0(4) . .
O1 C25 C30 106.0(3) . 3_666
O1 C26 C27 106.4(3) . .
O2 C27 C26 106.8(3) . .
O2 C28 C29 106.1(3) . .
O3 C29 C28 105.5(3) . .
O3 C30 C25 105.6(3) . 3_666
O5 C31 C36 109.0(5) . 3_665
O5 C32 C33 109.1(4) . .
O4 C33 C32 109.5(4) . .
O4 C34 C35 108.9(4) . .
O6 C35 C34 107.9(4) . .
O6 C36 C31 109.1(5) . 3_665
O4 Na1 O4 180.00(5) . 3_665
O4 Na1 O5 60.31(10) 3_665 3_665
O4 Na1 O5 119.69(10) . 3_665
O4 Na1 O5 119.69(10) 3_665 .
O4 Na1 O5 60.31(10) . .
O4 Na1 O6 61.34(10) . .
O4 Na1 O6 118.66(10) . 3_665
O4 Na1 O6 118.66(10) 3_665 .
O4 Na1 O6 61.34(10) 3_665 3_665
O5 Na1 O5 180.0 . 3_665
O6 Na1 O5 59.66(10) 3_665 .
O6 Na1 O5 59.66(10) . 3_665
O6 Na1 O5 120.34(10) 3_665 3_665
O6 Na1 O5 120.34(10) . .
O6 Na1 O6 180.0 3_665 .
O7 Na1 O4 92.6(2) . .
O7 Na1 O4 87.4(2) . 3_665
O7 Na1 O4 92.6(2) 3_665 3_665
O7 Na1 O4 87.4(2) 3_665 .
O7 Na1 O5 85.06(19) . .
O7 Na1 O5 85.06(19) 3_665 3_665
O7 Na1 O5 94.94(19) . 3_665
O7 Na1 O5 94.94(19) 3_665 .
O7 Na1 O6 93.8(2) . 3_665
O7 Na1 O6 86.2(2) . .
O7 Na1 O6 93.8(2) 3_665 .
O7 Na1 O6 86.2(2) 3_665 3_665
O7 Na1 O7 180.0(3) 3_665 .
C37 O7 Na1 129.2(5) . .
C37 O7 C40 110.5(6) . .
C40 O7 Na1 120.2(5) . .
O7 C37 C38 101.3(7) . .
C40 C39 C38 102.7(5) . .
O7 C40 C39 106.0(6) . .
C37 C38 C39 98.1(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O1 2.557(2) 3_666
Dy1 O1 2.557(2) .
Dy1 O2 2.580(2) .
Dy1 O2 2.580(2) 3_666
Dy1 O3 2.612(2) 3_666
Dy1 O3 2.612(2) .
Dy1 B2 2.531(3) .
Dy1 B2 2.531(3) 3_666
O1 C25 1.444(4) .
O1 C26 1.437(5) .
O2 C27 1.420(4) .
O2 C28 1.428(4) .
O3 C29 1.435(4) .
O3 C30 1.424(4) .
O4 C33 1.427(5) .
O4 C34 1.408(5) .
O4 Na1 2.727(3) .
O5 C31 1.426(7) .
O5 C32 1.413(5) .
O5 Na1 2.812(3) .
O6 C35 1.421(6) .
O6 C36 1.401(6) .
O6 Na1 2.739(3) .
B1 C1 1.653(5) .
B1 C7 1.656(5) .
B1 C13 1.647(5) .
B1 C19 1.649(5) .
C1 C2 1.396(5) .
C1 C6 1.403(5) .
C2 C3 1.396(6) .
C3 C4 1.373(7) .
C4 C5 1.368(7) .
C5 C6 1.390(5) .
C7 C8 1.393(5) .
C7 C12 1.403(5) .
C8 C9 1.392(6) .
C9 C10 1.364(7) .
C10 C11 1.381(7) .
C11 C12 1.391(5) .
C13 C14 1.400(5) .
C13 C18 1.399(5) .
C14 C15 1.394(5) .
C15 C16 1.387(6) .
C16 C17 1.365(6) .
C17 C18 1.394(5) .
C19 C20 1.402(5) .
C19 C24 1.402(5) .
C20 C21 1.391(7) .
C21 C22 1.378(7) .
C22 C23 1.366(7) .
C23 C24 1.390(6) .
C25 C30 1.474(6) 3_666
C26 C27 1.460(6) .
C28 C29 1.474(5) .
C31 C36 1.495(8) 3_665
C32 C33 1.472(7) .
C34 C35 1.484(7) .
Na1 O7 2.301(6) .
Na1 O7 2.301(6) 3_665
O7 C37 1.383(7) .
O7 C40 1.425(7) .
C37 C38 1.487(8) .
C39 C40 1.430(7) .
C39 C38 1.592(8) .
