#------------------------------------------------------------------------------
#$Date: 2020-10-06 12:56:47 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257709 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/91/7059181.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_7059181
loop_
_publ_author_name
'Zhang, Wei'
'Xu, Shao-Min'
'Zhu, Zhao-Xia'
'Ru, Jing'
'Zhang, Yi-Quan'
'Yao, Min-Xia'
_publ_section_title
;
 Strong intramolecular DyIII--DyIII magnetic couplings up to 15.00
 cm−1 in phenoxyl-bridged dinuclear 4f complexes
;
_journal_issue                   5
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              2083
_journal_page_last               2090
_journal_paper_doi               10.1039/C9NJ05971G
_journal_volume                  44
_journal_year                    2020
_chemical_formula_sum            'C78 H66 Cl0 Dy2 N4 O16'
_chemical_formula_weight         1640.34
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2019-09-11 deposited with the CCDC.	2019-12-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 95.190(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.8420(14)
_cell_length_b                   22.8050(17)
_cell_length_c                   17.8611(15)
_cell_measurement_reflns_used    4358
_cell_measurement_temperature    278(2)
_cell_measurement_theta_max      25.35
_cell_measurement_theta_min      2.90
_cell_volume                     7237.7(10)
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      278(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'PHOTON100 CMOS detector'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0882
_diffrn_reflns_av_unetI/netI     0.0992
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            18119
_diffrn_reflns_point_group_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.368
_diffrn_reflns_theta_min         3.047
_exptl_absorpt_coefficient_mu    2.119
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5375
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2013)'
_exptl_crystal_colour            YELLOW
_exptl_crystal_density_diffrn    1.505
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             3288
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.070
_refine_diff_density_max         1.664
_refine_diff_density_min         -1.627
_refine_diff_density_rms         0.157
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     440
_refine_ls_number_reflns         6511
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.1225
_refine_ls_R_factor_gt           0.0643
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0385P)²+87.6958P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1222
_refine_ls_wR_factor_ref         0.1439
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4112
_reflns_number_total             6511
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9nj05971g2.cif
_cod_data_source_block           1_CCDC1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'MULTI-SCAN' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7059180--7059182.cif.

 Adding full bibliography for 7059180--7059182.cif.
;
_cod_original_cell_volume        7237.6(10)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7059181
_shelx_shelxl_version_number     2016/6
_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_min   0.665
_shelx_estimated_absorpt_t_max   0.866
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
Dy1 Dy 0.07638(3) 0.26840(2) 0.68231(2) 0.03381(15) Uani 1 1 d . .
O1 O 0.1965(3) 0.2719(3) 0.7405(3) 0.0390(15) Uani 1 1 d . .
O2 O 0.0975(4) 0.1743(3) 0.7255(4) 0.0441(17) Uani 1 1 d . .
O3 O 0.1458(4) 0.2235(3) 0.5947(3) 0.0466(17) Uani 1 1 d . .
O4 O 0.0676(4) 0.3270(3) 0.5758(3) 0.0374(15) Uani 1 1 d . .
O5 O 0.0852(4) 0.4207(3) 0.6664(4) 0.054(2) Uani 1 1 d . .
H5 H 0.075390 0.405755 0.624951 0.081 Uiso 1 1 d R U
O6 O -0.0490(3) 0.2870(3) 0.6933(3) 0.0353(15) Uani 1 1 d . .
O7 O 0.0045(5) 0.1481(3) 0.5776(5) 0.071(2) Uani 1 1 d . .
H7 H 0.039453 0.136731 0.609727 0.086 Uiso 1 1 d R U
N1 N 0.0953(4) 0.3766(3) 0.7213(4) 0.0377(19) Uani 1 1 d . .
N2 N -0.0165(5) 0.2045(4) 0.5975(5) 0.048(2) Uani 1 1 d . .
C1 C 0.3251(7) 0.3118(6) 0.8190(7) 0.065(3) Uani 1 1 d . .
H1 H 0.282728 0.335795 0.814781 0.078 Uiso 1 1 calc R U
C2 C 0.3931(8) 0.3337(6) 0.8511(8) 0.086(4) Uani 1 1 d . .
H2 H 0.395893 0.371942 0.869231 0.103 Uiso 1 1 calc R U
C3 C 0.4558(8) 0.2994(8) 0.8563(8) 0.088(5) Uani 1 1 d . .
H3 H 0.501579 0.314851 0.876112 0.105 Uiso 1 1 calc R U
C4 C 0.4520(8) 0.2420(8) 0.8324(8) 0.090(5) Uani 1 1 d . .
H4 H 0.494432 0.218121 0.837607 0.108 Uiso 1 1 calc R U
C5 C 0.3841(7) 0.2204(6) 0.8004(7) 0.070(4) Uani 1 1 d . .
H5A H 0.381297 0.181910 0.783108 0.084 Uiso 1 1 calc R U
C6 C 0.3199(6) 0.2552(5) 0.7936(5) 0.050(3) Uani 1 1 d . .
C7 C 0.2438(6) 0.2337(5) 0.7618(5) 0.045(2) Uani 1 1 d . .
C8 C 0.2294(6) 0.1728(5) 0.7602(6) 0.053(3) Uani 1 1 d . .
H8 H 0.270311 0.147837 0.770159 0.064 Uiso 1 1 calc R U
C9 C 0.1587(6) 0.1468(4) 0.7447(5) 0.042(2) Uani 1 1 d . .
C10 C 0.1534(5) 0.0827(3) 0.7543(4) 0.048(3) Uani 1 1 d DG .
C11 C 0.2073(4) 0.0445(4) 0.7305(5) 0.085(4) Uani 1 1 d G .
H11 H 0.248603 0.059280 0.708467 0.102 Uiso 1 1 calc R U
C12 C 0.1993(5) -0.0156(3) 0.7398(6) 0.101(5) Uani 1 1 d G .
H12 H 0.235351 -0.041089 0.723858 0.121 Uiso 1 1 calc R U
C13 C 0.1376(6) -0.0376(3) 0.7728(6) 0.088(5) Uani 1 1 d G .
H13 H 0.132248 -0.077853 0.778942 0.105 Uiso 1 1 calc R U
C14 C 0.0837(5) 0.0005(4) 0.7966(6) 0.106(6) Uani 1 1 d G .
H14 H 0.042396 -0.014247 0.818637 0.127 Uiso 1 1 calc R U
C15 C 0.0917(5) 0.0606(4) 0.7873(5) 0.090(5) Uani 1 1 d DG .
H15 H 0.055646 0.086122 0.803247 0.107 Uiso 1 1 calc R U
C16 C 0.1992(6) 0.1253(5) 0.5321(6) 0.053(3) Uani 1 1 d . .
H16 H 0.183815 0.123073 0.580419 0.064 Uiso 1 1 calc R U
C17 C 0.2356(7) 0.0777(5) 0.5026(7) 0.068(4) Uani 1 1 d . .
H17 H 0.244088 0.043834 0.531140 0.082 Uiso 1 1 calc R U
C18 C 0.2586(7) 0.0804(5) 0.4322(7) 0.062(3) Uani 1 1 d . .
H18 H 0.283117 0.048628 0.412783 0.074 Uiso 1 1 calc R U
C19 C 0.2461(6) 0.1290(5) 0.3909(6) 0.055(3) Uani 1 1 d . .
H19 H 0.261952 0.130494 0.342715 0.066 Uiso 1 1 calc R U
C20 C 0.2100(5) 0.1772(5) 0.4185(5) 0.044(3) Uani 1 1 d . .
H20 H 0.201949 0.210564 0.388947 0.053 Uiso 1 1 calc R U
C21 C 0.1858(5) 0.1757(4) 0.4901(5) 0.037(2) Uani 1 1 d . .
C22 C 0.1482(5) 0.2254(4) 0.5240(5) 0.034(2) Uani 1 1 d . .
C23 C 0.1179(5) 0.2714(4) 0.4798(5) 0.038(2) Uani 1 1 d . .
H23 H 0.121928 0.269182 0.428370 0.045 Uiso 1 1 calc R U
C24 C 0.0823(5) 0.3200(4) 0.5062(5) 0.037(2) Uani 1 1 d . .
C25 C 0.0585(5) 0.3692(4) 0.4547(5) 0.037(2) Uani 1 1 d . .
C26 C 0.0952(7) 0.3810(5) 0.3906(6) 0.052(3) Uani 1 1 d . .
H26 H 0.136326 0.358479 0.379873 0.063 Uiso 1 1 calc R U
C27 C 0.0706(8) 0.4259(6) 0.3435(6) 0.074(4) Uani 1 1 d . .
H27 H 0.095310 0.433186 0.300807 0.089 Uiso 1 1 calc R U
C28 C 0.0110(8) 0.4600(5) 0.3578(7) 0.069(4) Uani 1 1 d . .
H28 H -0.004994 0.490163 0.325227 0.082 Uiso 1 1 calc R U
C29 C -0.0251(7) 0.4492(5) 0.4208(6) 0.064(3) Uani 1 1 d . .
H29 H -0.065655 0.472441 0.431506 0.077 Uiso 1 1 calc R U
C30 C -0.0012(6) 0.4031(5) 0.4693(6) 0.051(3) Uani 1 1 d . .
H30 H -0.026279 0.395740 0.511685 0.062 Uiso 1 1 calc R U
C31 C 0.1158(6) 0.3987(4) 0.7861(5) 0.041(2) Uani 1 1 d . .
H31 H 0.122235 0.439124 0.789681 0.050 Uiso 1 1 calc R U
C32 C 0.1294(5) 0.3638(5) 0.8546(5) 0.040(2) Uani 1 1 d . .
C33 C 0.1751(6) 0.3871(5) 0.9146(6) 0.050(3) Uani 1 1 d . .
H33 H 0.194589 0.424554 0.909610 0.061 Uiso 1 1 calc R U
C34 C 0.1927(6) 0.3575(6) 0.9807(6) 0.059(3) Uani 1 1 d . .
C35 C 0.1603(6) 0.3027(6) 0.9873(6) 0.059(3) Uani 1 1 d . .
H35 H 0.171837 0.281482 1.031284 0.071 Uiso 1 1 calc R U
C36 C 0.1109(5) 0.2777(5) 0.9302(5) 0.044(3) Uani 1 1 d . .
C37 C -0.0951(5) 0.3093(5) 0.6384(5) 0.038(2) Uani 1 1 d . .
C38 C -0.0762(6) 0.2218(5) 0.5594(6) 0.055(3) Uani 1 1 d . .
H38 H -0.098620 0.196769 0.522820 0.065 Uiso 1 1 calc R U
C39 C 0.2436(8) 0.3836(7) 1.0451(7) 0.098(5) Uani 1 1 d . .
H39A H 0.213580 0.404238 1.078433 0.147 Uiso 1 1 calc R U
H39B H 0.278514 0.410198 1.025370 0.147 Uiso 1 1 calc R U
H39C H 0.270736 0.352657 1.072062 0.147 Uiso 1 1 calc R U
O1W O 0.4383(6) 0.5046(4) 0.4418(6) 0.102(3) Uani 1 1 d . .
H1WA H 0.409745 0.511761 0.476345 0.152 Uiso 1 1 d R U
H1WB H 0.477985 0.525211 0.448795 0.152 Uiso 1 1 d 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'
Cl Cl 0.1484 0.1585 '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 O2 76.3(2) . .
O1 Dy1 O6 146.0(2) . .
O2 Dy1 O6 105.9(2) . .
O1 Dy1 O4 110.0(2) . .
O2 Dy1 O4 144.1(2) . .
O6 Dy1 O4 88.2(2) . .
O1 Dy1 O3 77.7(2) . .
O2 Dy1 O3 74.5(2) . .
O6 Dy1 O3 136.1(2) . .
O4 Dy1 O3 72.7(2) . .
O1 Dy1 O6 80.3(2) . 2_556
O2 Dy1 O6 83.9(2) . 2_556
O6 Dy1 O6 66.4(2) . 2_556
O4 Dy1 O6 131.7(2) . 2_556
O3 Dy1 O6 152.2(2) . 2_556
O1 Dy1 N1 75.6(2) . .
O2 Dy1 N1 142.1(2) . .
O6 Dy1 N1 84.5(2) . .
O4 Dy1 N1 70.5(2) . .
O3 Dy1 N1 122.7(2) . .
O6 Dy1 N1 66.8(2) 2_556 .
O1 Dy1 N2 143.7(3) . .
O2 Dy1 N2 75.4(3) . .
O6 Dy1 N2 65.1(2) . .
O4 Dy1 N2 81.5(2) . .
O3 Dy1 N2 73.1(3) . .
O6 Dy1 N2 118.4(2) 2_556 .
N1 Dy1 N2 139.2(3) . .
O1 Dy1 Dy1 113.89(15) . 2_556
O2 Dy1 Dy1 83.80(16) . 2_556
O6 Dy1 Dy1 35.75(14) . 2_556
O4 Dy1 Dy1 121.50(15) . 2_556
O3 Dy1 Dy1 152.33(18) . 2_556
O6 Dy1 Dy1 34.79(14) 2_556 2_556
N1 Dy1 Dy1 84.96(17) . 2_556
N2 Dy1 Dy1 85.08(18) . 2_556
C7 O1 Dy1 133.7(7) . .
C9 O2 Dy1 131.1(6) . .
C22 O3 Dy1 136.5(6) . .
C24 O4 Dy1 134.9(6) . .
N1 O5 H5 109.6 . .
C37 O6 Dy1 123.5(5) . .
C37 O6 Dy1 126.8(5) . 2_556
Dy1 O6 Dy1 109.5(2) . 2_556
N2 O7 H7 107.8 . .
C31 N1 O5 110.9(8) . .
C31 N1 Dy1 129.6(6) . .
O5 N1 Dy1 119.4(5) . .
C38 N2 O7 112.3(9) . .
C38 N2 Dy1 126.8(7) . .
O7 N2 Dy1 119.7(6) . .
C6 C1 C2 120.4(12) . .
C6 C1 H1 119.8 . .
C2 C1 H1 119.8 . .
C3 C2 C1 120.3(14) . .
C3 C2 H2 119.9 . .
C1 C2 H2 119.9 . .
C2 C3 C4 120.6(14) . .
C2 C3 H3 119.7 . .
C4 C3 H3 119.7 . .
C3 C4 C5 118.9(14) . .
C3 C4 H4 120.6 . .
C5 C4 H4 120.6 . .
C4 C5 C6 121.2(14) . .
C4 C5 H5A 119.4 . .
C6 C5 H5A 119.4 . .
C1 C6 C5 118.6(11) . .
C1 C6 C7 117.7(10) . .
C5 C6 C7 123.7(11) . .
O1 C7 C8 124.3(10) . .
O1 C7 C6 116.7(10) . .
C8 C7 C6 119.0(10) . .
C9 C8 C7 125.4(10) . .
C9 C8 H8 117.3 . .
C7 C8 H8 117.3 . .
O2 C9 C8 125.4(10) . .
O2 C9 C10 117.0(9) . .
C8 C9 C10 117.5(9) . .
C11 C10 C15 120.0 . .
C11 C10 C9 122.1(7) . .
C15 C10 C9 117.9(7) . .
C12 C11 C10 120.0 . .
C12 C11 H11 120.0 . .
C10 C11 H11 120.0 . .
C11 C12 C13 120.0 . .
C11 C12 H12 120.0 . .
C13 C12 H12 120.0 . .
C12 C13 C14 120.0 . .
C12 C13 H13 120.0 . .
C14 C13 H13 120.0 . .
C15 C14 C13 120.0 . .
C15 C14 H14 120.0 . .
C13 C14 H14 120.0 . .
C14 C15 C10 120.0 . .
C14 C15 H15 120.0 . .
C10 C15 H15 120.0 . .
C21 C16 C17 120.4(10) . .
C21 C16 H16 119.8 . .
C17 C16 H16 119.8 . .
C18 C17 C16 120.3(11) . .
C18 C17 H17 119.8 . .
C16 C17 H17 119.8 . .
C19 C18 C17 119.9(11) . .
C19 C18 H18 120.0 . .
C17 C18 H18 120.0 . .
C18 C19 C20 121.3(11) . .
C18 C19 H19 119.4 . .
C20 C19 H19 119.4 . .
C19 C20 C21 120.1(10) . .
C19 C20 H20 119.9 . .
C21 C20 H20 119.9 . .
C16 C21 C20 117.9(9) . .
C16 C21 C22 118.7(8) . .
C20 C21 C22 123.4(9) . .
O3 C22 C23 122.9(8) . .
O3 C22 C21 116.1(8) . .
C23 C22 C21 121.0(8) . .
C24 C23 C22 125.3(8) . .
C24 C23 H23 117.3 . .
C22 C23 H23 117.3 . .
O4 C24 C23 124.3(8) . .
O4 C24 C25 115.2(8) . .
C23 C24 C25 120.5(8) . .
C30 C25 C26 118.8(9) . .
C30 C25 C24 119.7(9) . .
C26 C25 C24 121.6(9) . .
C27 C26 C25 119.9(10) . .
C27 C26 H26 120.0 . .
C25 C26 H26 120.0 . .
C28 C27 C26 121.6(11) . .
C28 C27 H27 119.2 . .
C26 C27 H27 119.2 . .
C27 C28 C29 119.1(11) . .
C27 C28 H28 120.4 . .
C29 C28 H28 120.4 . .
C28 C29 C30 120.1(11) . .
C28 C29 H29 120.0 . .
C30 C29 H29 120.0 . .
C25 C30 C29 120.5(10) . .
C25 C30 H30 119.7 . .
C29 C30 H30 119.7 . .
N1 C31 C32 123.5(9) . .
N1 C31 H31 118.2 . .
C32 C31 H31 118.2 . .
C33 C32 C37 120.1(9) . 2_556
C33 C32 C31 118.5(9) . .
C37 C32 C31 121.3(9) 2_556 .
C34 C33 C32 123.2(11) . .
C34 C33 H33 118.4 . .
C32 C33 H33 118.4 . .
C33 C34 C35 116.8(10) . .
C33 C34 C39 122.3(12) . .
C35 C34 C39 120.9(11) . .
C34 C35 C36 122.8(10) . .
C34 C35 H35 118.6 . .
C36 C35 H35 118.6 . .
C35 C36 C37 118.7(10) . 2_556
C35 C36 C38 121.0(10) . 2_556
C37 C36 C38 120.3(9) 2_556 2_556
O6 C37 C32 121.7(8) . 2_556
O6 C37 C36 120.2(9) . 2_556
C32 C37 C36 118.1(9) 2_556 2_556
N2 C38 C36 123.7(10) . 2_556
N2 C38 H38 118.2 . .
C36 C38 H38 118.2 2_556 .
C34 C39 H39A 109.5 . .
C34 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C34 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
H1WA O1W H1WB 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O1 2.298(6) .
Dy1 O2 2.300(6) .
Dy1 O6 2.302(6) .
Dy1 O4 2.319(6) .
Dy1 O3 2.320(6) .
Dy1 O6 2.357(5) 2_556
Dy1 N1 2.579(8) .
Dy1 N2 2.590(9) .
Dy1 Dy1 3.8036(9) 2_556
O1 C7 1.248(11) .
O2 C9 1.279(11) .
O3 C22 1.269(10) .
O4 C24 1.303(10) .
O5 N1 1.405(9) .
O5 H5 0.8199 .
O6 C37 1.323(11) .
O7 N2 1.396(10) .
O7 H7 0.8498 .
N1 C31 1.285(11) .
N2 C38 1.273(13) .
C1 C6 1.370(15) .
C1 C2 1.387(17) .
C1 H1 0.9300 .
C2 C3 1.361(19) .
C2 H2 0.9300 .
C3 C4 1.38(2) .
C3 H3 0.9300 .
C4 C5 1.383(18) .
C4 H4 0.9300 .
C5 C6 1.390(15) .
C5 H5A 0.9300 .
C6 C7 1.505(15) .
C7 C8 1.413(14) .
C8 C9 1.397(15) .
C8 H8 0.9300 .
C9 C10 1.478(11) .
C10 C11 1.3900 .
C10 C15 1.3900 .
C11 C12 1.3900 .
C11 H11 0.9300 .
C12 C13 1.3900 .
C12 H12 0.9300 .
C13 C14 1.3900 .
C13 H13 0.9300 .
C14 C15 1.3900 .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 C21 1.382(13) .
C16 C17 1.392(15) .
C16 H16 0.9300 .
C17 C18 1.359(15) .
C17 H17 0.9300 .
C18 C19 1.339(15) .
C18 H18 0.9300 .
C19 C20 1.387(14) .
C19 H19 0.9300 .
C20 C21 1.387(12) .
C20 H20 0.9300 .
C21 C22 1.475(13) .
C22 C23 1.391(13) .
C23 C24 1.382(12) .
C23 H23 0.9300 .
C24 C25 1.490(12) .
C25 C30 1.360(13) .
C25 C26 1.395(13) .
C26 C27 1.371(14) .
C26 H26 0.9300 .
C27 C28 1.360(16) .
C27 H27 0.9300 .
C28 C29 1.369(16) .
C28 H28 0.9300 .
C29 C30 1.403(14) .
C29 H29 0.9300 .
C30 H30 0.9300 .
C31 C32 1.461(13) .
C31 H31 0.9300 .
C32 C33 1.392(13) .
C32 C37 1.395(13) 2_556
C33 C34 1.371(15) .
C33 H33 0.9300 .
C34 C35 1.387(16) .
C34 C39 1.520(15) .
C35 C36 1.406(14) .
C35 H35 0.9300 .
C36 C37 1.428(13) 2_556
C36 C38 1.437(15) 2_556
C38 H38 0.9300 .
C39 H39A 0.9600 .
C39 H39B 0.9600 .
C39 H39C 0.9600 .
O1W H1WA 0.8499 .
O1W H1WB 0.8500 .
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_4
C6 C1 C2 C3 1(2) . .
C1 C2 C3 C4 -2(2) . .
C2 C3 C4 C5 2(2) . .
C3 C4 C5 C6 -1(2) . .
C2 C1 C6 C5 -0.2(18) . .
C2 C1 C6 C7 177.9(11) . .
C4 C5 C6 C1 0.3(18) . .
C4 C5 C6 C7 -177.8(11) . .
Dy1 O1 C7 C8 -6.4(13) . .
Dy1 O1 C7 C6 175.8(6) . .
C1 C6 C7 O1 20.4(13) . .
C5 C6 C7 O1 -161.6(10) . .
C1 C6 C7 C8 -157.6(10) . .
C5 C6 C7 C8 20.5(14) . .
O1 C7 C8 C9 -9.4(16) . .
C6 C7 C8 C9 168.4(9) . .
Dy1 O2 C9 C8 15.6(14) . .
Dy1 O2 C9 C10 -167.0(5) . .
C7 C8 C9 O2 4.4(16) . .
C7 C8 C9 C10 -173.0(9) . .
O2 C9 C10 C11 140.2(7) . .
C8 C9 C10 C11 -42.2(11) . .
O2 C9 C10 C15 -38.9(10) . .
C8 C9 C10 C15 138.7(8) . .
C15 C10 C11 C12 0.0 . .
C9 C10 C11 C12 -179.1(8) . .
C10 C11 C12 C13 0.0 . .
C11 C12 C13 C14 0.0 . .
C12 C13 C14 C15 0.0 . .
C13 C14 C15 C10 0.0 . .
C11 C10 C15 C14 0.0 . .
C9 C10 C15 C14 179.1(8) . .
C21 C16 C17 C18 0.3(19) . .
C16 C17 C18 C19 0(2) . .
C17 C18 C19 C20 0.2(19) . .
C18 C19 C20 C21 -0.2(17) . .
C17 C16 C21 C20 -0.3(16) . .
C17 C16 C21 C22 -179.1(10) . .
C19 C20 C21 C16 0.2(15) . .
C19 C20 C21 C22 178.9(9) . .
Dy1 O3 C22 C23 18.4(15) . .
Dy1 O3 C22 C21 -161.9(7) . .
C16 C21 C22 O3 15.3(13) . .
C20 C21 C22 O3 -163.5(9) . .
C16 C21 C22 C23 -165.0(10) . .
C20 C21 C22 C23 16.2(15) . .
O3 C22 C23 C24 0.3(16) . .
C21 C22 C23 C24 -179.4(9) . .
Dy1 O4 C24 C23 -7.7(15) . .
Dy1 O4 C24 C25 172.9(6) . .
C22 C23 C24 O4 -5.2(16) . .
C22 C23 C24 C25 174.1(9) . .
O4 C24 C25 C30 -28.4(13) . .
C23 C24 C25 C30 152.2(10) . .
O4 C24 C25 C26 152.7(9) . .
C23 C24 C25 C26 -26.7(15) . .
C30 C25 C26 C27 -0.4(17) . .
C24 C25 C26 C27 178.5(11) . .
C25 C26 C27 C28 0(2) . .
C26 C27 C28 C29 0(2) . .
C27 C28 C29 C30 -1(2) . .
C26 C25 C30 C29 -0.1(16) . .
C24 C25 C30 C29 -179.1(10) . .
C28 C29 C30 C25 0.7(19) . .
O5 N1 C31 C32 179.0(8) . .
Dy1 N1 C31 C32 -3.2(14) . .
N1 C31 C32 C33 157.9(10) . .
N1 C31 C32 C37 -25.0(15) . 2_556
C37 C32 C33 C34 4.2(16) 2_556 .
C31 C32 C33 C34 -178.7(10) . .
C32 C33 C34 C35 -2.4(18) . .
C32 C33 C34 C39 179.1(12) . .
C33 C34 C35 C36 -0.8(18) . .
C39 C34 C35 C36 177.8(11) . .
C34 C35 C36 C37 2.0(17) . 2_556
C34 C35 C36 C38 -177.4(11) . 2_556
Dy1 O6 C37 C32 -116.8(8) . 2_556
Dy1 O6 C37 C32 57.2(12) 2_556 2_556
Dy1 O6 C37 C36 63.1(11) . 2_556
Dy1 O6 C37 C36 -122.8(8) 2_556 2_556
O7 N2 C38 C36 178.7(9) . 2_556
Dy1 N2 C38 C36 -14.1(15) . 2_556
