#------------------------------------------------------------------------------
#$Date: 2016-03-05 12:16:54 +0200 (Sat, 05 Mar 2016) $
#$Revision: 177859 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/80/7038021.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_7038021
loop_
_publ_author_name
'Zhang, Wan-Ying'
'Tian, Yong-Mei'
'Li, Hong-Feng'
'Chen, Peng'
'Sun, Wen-Bin'
'Zhang, Yi-Quan'
'Yan, Peng-Fei'
_publ_section_title
;
 A series of dinuclear Dy(iii) complexes bridged by
 2-methyl-8-hydroxylquinoline: replacement on the periphery coordinated
 β-diketonate terminal leads to different single-molecule magnetic
 properties.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3863
_journal_page_last               3873
_journal_paper_doi               10.1039/c5dt04449a
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C86 H74 Dy2 N2 O10'
_chemical_formula_weight         1620.47
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-12-16 deposited with the CCDC.
2016-01-15 downloaded from the CCDC.
;
_cell_angle_alpha                102.811(5)
_cell_angle_beta                 112.601(5)
_cell_angle_gamma                111.598(6)
_cell_formula_units_Z            1
_cell_length_a                   13.0887(8)
_cell_length_b                   13.5801(8)
_cell_length_c                   13.5961(7)
_cell_measurement_reflns_used    6312
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.1729
_cell_measurement_theta_min      3.0689
_cell_volume                     1879.6(3)
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2011)'
_computing_data_collection       'CrysAlis PRO (Agilent, 2011)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2011)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.841
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0345
_diffrn_reflns_av_unetI/netI     0.0686
_diffrn_reflns_laue_measured_fraction_full 0.996
_diffrn_reflns_laue_measured_fraction_max 0.841
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14997
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.841
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.089
_diffrn_reflns_theta_min         3.075
_exptl_absorpt_coefficient_mu    2.032
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.432
_exptl_crystal_description       block
_exptl_crystal_F_000             816
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_refine_diff_density_max         2.437
_refine_diff_density_min         -1.721
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.138
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     458
_refine_ls_number_reflns         8474
_refine_ls_number_restraints     43
_refine_ls_restrained_S_all      1.139
_refine_ls_R_factor_all          0.0596
_refine_ls_R_factor_gt           0.0455
_refine_ls_shift/su_max          0.093
_refine_ls_shift/su_mean         0.009
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0481P)²+0.9339P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1085
_refine_ls_wR_factor_ref         0.1221
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7222
_reflns_number_total             8474
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt04449a2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7038020--7038023.cif.'
_cod_original_cell_volume        1879.6(2)
_cod_database_code               7038021
_shelx_shelxl_version_number     2014/7
_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.
;
loop_
_space_group_symop_operation_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_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 0.33568(2) 0.48143(2) 0.44844(2) 0.03077(3) Uani 1 1 d . . . . .
O1 O 0.52114(9) 0.56354(9) 0.43858(8) 0.0305(3) Uani 1 1 d . . . . .
N1 N 0.67855(13) 0.52719(13) 0.37562(12) 0.0405(5) Uani 1 1 d . . . . .
C1 C 0.52413(15) 0.58694(15) 0.34898(14) 0.0354(5) Uani 1 1 d . . . . .
C2 C 0.45261(18) 0.62839(18) 0.28996(16) 0.0547(7) Uani 1 1 d . . . . .
H2 H 0.3997 0.6432 0.3134 0.066 Uiso 1 1 calc R U . . .
C3 C 0.4564(2) 0.6493(2) 0.19506(19) 0.0738(9) Uani 1 1 d . . . . .
H3 H 0.4067 0.6782 0.1567 0.089 Uiso 1 1 calc R U . . .
C4 C 0.5319(2) 0.6280(2) 0.15852(18) 0.0825(9) Uani 1 1 d . . . . .
H4 H 0.5333 0.6414 0.0948 0.099 Uiso 1 1 calc R U . . .
C5 C 0.60741(19) 0.5859(2) 0.21608(16) 0.0614(8) Uani 1 1 d . . . . .
C6 C 0.60437(15) 0.56527(16) 0.31217(14) 0.0374(6) Uani 1 1 d . . . . .
C7 C 0.6884(2) 0.5617(3) 0.18471(19) 0.0922(11) Uani 1 1 d . . . . .
H7 H 0.6927 0.5725 0.1209 0.111 Uiso 1 1 calc R U . . .
C8 C 0.7608(2) 0.5226(3) 0.24658(19) 0.0895(11) Uani 1 1 d . . . . .
H8 H 0.8142 0.5064 0.2250 0.107 Uiso 1 1 calc R U . . .
C9 C 0.75484(17) 0.5067(2) 0.34364(17) 0.0585(8) Uani 1 1 d . . . . .
C10 C 0.83736(19) 0.4674(2) 0.4145(2) 0.0788(8) Uani 1 1 d . . . . .
H10A H 0.8936 0.5247 0.4947 0.095 Uiso 1 1 d R U . . .
H10B H 0.8872 0.4564 0.3812 0.095 Uiso 1 1 d R U . . .
H10C H 0.7839 0.3947 0.4118 0.095 Uiso 1 1 d R U . . .
C11 C -0.11036(19) 0.1962(2) 0.3253(2) 0.0709(9) Uani 1 1 d . . . . .
H11 H -0.0430 0.2168 0.3984 0.085 Uiso 1 1 calc R U . . .
C12 C -0.2316(2) 0.1505(3) 0.3061(2) 0.0997(13) Uani 1 1 d . . . . .
H12 H -0.2468 0.1369 0.3645 0.120 Uiso 1 1 calc R U . . .
C13 C -0.3287(2) 0.1253(3) 0.2033(3) 0.1191(16) Uani 1 1 d . . . . .
H13 H -0.4107 0.0964 0.1920 0.143 Uiso 1 1 calc R U . . .
C14 C -0.3097(3) 0.1410(3) 0.1145(3) 0.1189(18) Uani 1 1 d . . . . .
H14 H -0.3781 0.1221 0.0429 0.143 Uiso 1 1 calc R U . . .
C15 C -0.1856(2) 0.1861(3) 0.1331(3) 0.0876(13) Uani 1 1 d . . . . .
H15 H -0.1707 0.1983 0.0741 0.105 Uiso 1 1 calc R U . . .
C16 C -0.08568(17) 0.21237(18) 0.23923(18) 0.0498(7) Uani 1 1 d . . . . .
C17 C 0.04810(17) 0.26108(16) 0.26360(16) 0.0436(7) Uani 1 1 d . . . . .
C18 C 0.06898(17) 0.22973(17) 0.17133(15) 0.0455(7) Uani 1 1 d . . . . .
H18 H -0.0017 0.1795 0.0962 0.055 Uiso 1 1 calc R U . . .
C19 C 0.19105(16) 0.27027(15) 0.18662(14) 0.0381(6) Uani 1 1 d . . . . .
C20 C 0.20788(17) 0.21828(15) 0.08930(15) 0.0449(6) Uani 1 1 d . . . . .
C21 C 0.1120(2) 0.12300(16) -0.01463(16) 0.0522(8) Uani 1 1 d . . . . .
H21 H 0.0293 0.0869 -0.0277 0.063 Uiso 1 1 calc R U . . .
C22 C 0.1353(3) 0.0797(2) -0.09981(19) 0.0774(11) Uani 1 1 d . . . . .
H22 H 0.0679 0.0172 -0.1711 0.093 Uiso 1 1 calc R U . . .
C23 C 0.2558(3) 0.1272(2) -0.0810(2) 0.0905(11) Uani 1 1 d . . . . .
H23 H 0.2724 0.0950 -0.1369 0.109 Uiso 1 1 calc R U . . .
C24 C 0.3519(2) 0.2226(3) 0.0209(2) 0.0912(11) Uani 1 1 d . . . . .
H24 H 0.4342 0.2577 0.0331 0.109 Uiso 1 1 calc R U . . .
C25 C 0.3300(2) 0.2681(2) 0.10572(18) 0.0644(8) Uani 1 1 d . . . . .
H25 H 0.3975 0.3330 0.1751 0.077 Uiso 1 1 calc R U . . .
C26 C 0.5957(3) 0.8898(2) 0.7225(2) 0.0866(13) Uani 1 1 d . . . . .
H26 H 0.6012 0.8244 0.7269 0.104 Uiso 1 1 calc R U . . .
C27 C 0.6895(4) 0.9965(3) 0.8123(3) 0.128(2) Uani 1 1 d . . . . .
H27 H 0.7542 1.0031 0.8790 0.154 Uiso 1 1 calc R U . . .
C28 C 0.6870(4) 1.0944(2) 0.8028(3) 0.1112(18) Uani 1 1 d . . . . .
H28 H 0.7529 1.1684 0.8609 0.133 Uiso 1 1 calc R U . . .
C29 C 0.5896(3) 1.0823(2) 0.7099(2) 0.1048(15) Uani 1 1 d . . . . .
H29 H 0.5870 1.1486 0.7047 0.126 Uiso 1 1 calc R U . . .
C30 C 0.4912(3) 0.97242(19) 0.6199(2) 0.0733(10) Uani 1 1 d . . . . .
H30 H 0.4236 0.9655 0.5555 0.088 Uiso 1 1 calc R U . . .
C31 C 0.49509(19) 0.87451(17) 0.62738(16) 0.0502(7) Uani 1 1 d . . . . .
C32 C 0.39480(16) 0.75402(15) 0.53391(15) 0.0412(6) Uani 1 1 d . . . . .
C33 C 0.28897(17) 0.73371(16) 0.43614(16) 0.0475(6) Uani 1 1 d . . . . .
H33 H 0.2791 0.7975 0.4328 0.057 Uiso 1 1 calc R U . . .
C34 C 0.19547(15) 0.62473(15) 0.34179(15) 0.0420(6) Uani 1 1 d . . . . .
C35 C 0.08352(16) 0.60883(17) 0.24018(15) 0.0477(6) Uani 1 1 d . . . . .
C36 C 0.0610(3) 0.6983(2) 0.2317(3) 0.0928(13) Uani 1 1 d . . . . .
H36 H 0.1161 0.7727 0.2932 0.111 Uiso 1 1 calc R U . . .
C37 C -0.0448(3) 0.6786(2) 0.1305(3) 0.1070(13) Uani 1 1 d . . . . .
H37 H -0.0585 0.7404 0.1261 0.128 Uiso 1 1 calc R U . . .
C38 C -0.1260(2) 0.5726(3) 0.0404(2) 0.0877(11) Uani 1 1 d . . . . .
H38 H -0.1960 0.5599 -0.0261 0.105 Uiso 1 1 calc R U . . .
C39 C -0.1033(2) 0.4846(3) 0.0490(2) 0.0888(11) Uani 1 1 d . . . . .
H39 H -0.1585 0.4104 -0.0127 0.107 Uiso 1 1 calc R U . . .
C40 C 0.0000(2) 0.5026(2) 0.14747(19) 0.0669(9) Uani 1 1 d . . . . .
H40 H 0.0127 0.4401 0.1504 0.080 Uiso 1 1 calc R U . . .
C41 C 0.0710(4) 0.0663(5) 0.5402(8) 0.2791(4) Uani 0.606(8) 1 d D U P A 1
H41A H 0.0561 0.1223 0.5124 0.335 Uiso 0.606(8) 1 calc R U P A 1
H41B H 0.0928 0.0933 0.6216 0.335 Uiso 0.606(8) 1 calc R U P A 1
C42 C 0.1987(4) 0.0678(9) 0.5364(5) 0.2770(4) Uani 0.606(8) 1 d D U P A 1
H42A H 0.2430 0.0370 0.5841 0.332 Uiso 0.606(8) 1 d R U P A 1
H42B H 0.2412 0.1512 0.5804 0.332 Uiso 0.606(8) 1 d R U P A 1
C42' C 0.1635(6) 0.0981(10) 0.4925(6) 0.2770(4) Uani 0.394(8) 1 d D U P A 2
H42C H 0.1492 0.1613 0.4826 0.332 Uiso 0.394(8) 1 calc R U P A 2
H42D H 0.2291 0.1284 0.5740 0.332 Uiso 0.394(8) 1 calc R U P A 2
C41' C 0.0428(3) 0.0048(11) 0.4733(4) 0.2791(4) Uani 0.394(8) 1 d D U P A 2
H41E H 0.0621 -0.0566 0.4802 0.335 Uiso 0.394(8) 1 calc R U P A 2
H41F H -0.0168 -0.0239 0.3902 0.335 Uiso 0.394(8) 1 calc R U P A 2
C43 C 0.2162(5) 0.0710(6) 0.4210(4) 0.2729(5) Uani 1 1 d D U . . .
H43A H 0.2939 0.0715 0.4340 0.327 Uiso 1 1 calc R U . A 1
H43B H 0.1446 0.0031 0.3511 0.327 Uiso 1 1 calc R U . A 1
H43C H 0.2200 0.1401 0.4119 0.327 Uiso 1 1 calc R U . A 1
O2 O 0.13627(11) 0.32669(11) 0.37071(10) 0.0443(5) Uani 1 1 d . . . . .
O3 O 0.29198(11) 0.35057(12) 0.28019(10) 0.0469(5) Uani 1 1 d . . . . .
O4 O 0.20197(11) 0.53332(10) 0.33644(11) 0.0455(5) Uani 1 1 d . . . . .
O5 O 0.41491(11) 0.67330(10) 0.55198(11) 0.0434(4) 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'
O O 0.0106 0.0060 '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'
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
O5 Dy1 O3 143.35(6) . .
O5 Dy1 O2 129.29(6) . .
O3 Dy1 O2 73.34(5) . .
O5 Dy1 O4 73.10(4) . .
O3 Dy1 O4 88.68(5) . .
O2 Dy1 O4 76.26(5) . .
O5 Dy1 O1 105.31(4) . 2_666
O3 Dy1 O1 91.34(5) . 2_666
O2 Dy1 O1 106.54(5) . 2_666
O4 Dy1 O1 177.08(5) . 2_666
O5 Dy1 O1 79.66(5) . .
O3 Dy1 O1 74.99(4) . .
O2 Dy1 O1 148.22(5) . .
O4 Dy1 O1 105.66(5) . .
O1 Dy1 O1 71.54(5) 2_666 .
O5 Dy1 N1 80.87(6) . 2_666
O3 Dy1 N1 135.74(6) . 2_666
O2 Dy1 N1 76.18(4) . 2_666
O4 Dy1 N1 114.26(6) . 2_666
O1 Dy1 N1 67.59(5) 2_666 2_666
O1 Dy1 N1 127.56(4) . 2_666
O5 Dy1 Dy1 92.85(4) . 2_666
O3 Dy1 Dy1 81.57(4) . 2_666
O2 Dy1 Dy1 134.62(4) . 2_666
O4 Dy1 Dy1 141.06(4) . 2_666
O1 Dy1 Dy1 36.13(3) 2_666 2_666
O1 Dy1 Dy1 35.41(3) . 2_666
N1 Dy1 Dy1 98.40(4) 2_666 2_666
C1 O1 Dy1 121.84(12) . 2_666
C1 O1 Dy1 124.28(10) . .
Dy1 O1 Dy1 108.46(5) 2_666 .
C9 N1 C6 118.42(19) . .
C9 N1 Dy1 126.96(15) . 2_666
C6 N1 Dy1 114.46(14) . 2_666
O1 C1 C2 123.5(2) . .
O1 C1 C6 118.17(18) . .
C2 C1 C6 118.3(2) . .
C1 C2 C3 121.8(3) . .
C1 C2 H2 119.1 . .
C3 C2 H2 119.1 . .
C4 C3 C2 120.4(3) . .
C4 C3 H3 119.8 . .
C2 C3 H3 119.8 . .
C3 C4 C5 120.2(3) . .
C3 C4 H4 119.9 . .
C5 C4 H4 119.9 . .
C4 C5 C7 124.1(3) . .
C4 C5 C6 119.6(3) . .
C7 C5 C6 116.3(3) . .
N1 C6 C5 123.2(2) . .
N1 C6 C1 117.05(18) . .
C5 C6 C1 119.8(2) . .
C8 C7 C5 120.6(3) . .
C8 C7 H7 119.7 . .
C5 C7 H7 119.7 . .
C7 C8 C9 119.8(3) . .
C7 C8 H8 120.1 . .
C9 C8 H8 120.1 . .
N1 C9 C8 121.7(3) . .
N1 C9 C10 118.2(2) . .
C8 C9 C10 120.1(3) . .
C9 C10 H10A 110.5 . .
C9 C10 H10B 108.7 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.2 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C12 C11 C16 121.4(2) . .
C12 C11 H11 119.3 . .
C16 C11 H11 119.3 . .
C13 C12 C11 120.1(3) . .
C13 C12 H12 120.0 . .
C11 C12 H12 120.0 . .
C12 C13 C14 121.2(3) . .
C12 C13 H13 119.4 . .
C14 C13 H13 119.4 . .
C13 C14 C15 118.9(3) . .
C13 C14 H14 120.5 . .
C15 C14 H14 120.5 . .
C16 C15 C14 119.8(3) . .
C16 C15 H15 120.1 . .
C14 C15 H15 120.1 . .
C11 C16 C15 118.6(2) . .
C11 C16 C17 119.53(18) . .
C15 C16 C17 121.8(3) . .
O2 C17 C18 124.72(19) . .
O2 C17 C16 116.0(2) . .
C18 C17 C16 119.24(15) . .
C17 C18 C19 122.97(14) . .
C17 C18 H18 118.5 . .
C19 C18 H18 118.5 . .
O3 C19 C18 123.7(2) . .
O3 C19 C20 116.05(18) . .
C18 C19 C20 120.26(13) . .
C21 C20 C25 117.3(2) . .
C21 C20 C19 124.8(2) . .
C25 C20 C19 117.88(14) . .
C20 C21 C22 121.4(2) . .
C20 C21 H21 119.3 . .
C22 C21 H21 119.3 . .
C23 C22 C21 120.61(19) . .
C23 C22 H22 119.7 . .
C21 C22 H22 119.7 . .
C22 C23 C24 118.8(3) . .
C22 C23 H23 120.6 . .
C24 C23 H23 120.6 . .
C23 C24 C25 121.3(3) . .
C23 C24 H24 119.4 . .
C25 C24 H24 119.4 . .
C24 C25 C20 120.57(17) . .
C24 C25 H25 119.7 . .
C20 C25 H25 119.7 . .
C31 C26 C27 123.0(3) . .
C31 C26 H26 118.5 . .
C27 C26 H26 118.5 . .
C26 C27 C28 118.8(4) . .
C26 C27 H27 120.6 . .
C28 C27 H27 120.6 . .
C29 C28 C27 119.5(3) . .
C29 C28 H28 120.3 . .
C27 C28 H28 120.3 . .
C28 C29 C30 121.5(3) . .
C28 C29 H29 119.3 . .
C30 C29 H29 119.3 . .
C31 C30 C29 119.3(3) . .
C31 C30 H30 120.3 . .
C29 C30 H30 120.3 . .
C26 C31 C30 117.75(18) . .
C26 C31 C32 119.6(2) . .
C30 C31 C32 122.64(19) . .
O5 C32 C33 123.37(14) . .
O5 C32 C31 114.87(16) . .
C33 C32 C31 121.8(2) . .
C32 C33 C34 125.1(2) . .
C32 C33 H33 117.5 . .
C34 C33 H33 117.5 . .
O4 C34 C33 122.34(17) . .
O4 C34 C35 115.34(14) . .
C33 C34 C35 122.3(2) . .
C40 C35 C36 116.9(2) . .
C40 C35 C34 119.9(2) . .
C36 C35 C34 123.15(16) . .
C35 C36 C37 120.5(2) . .
C35 C36 H36 119.7 . .
C37 C36 H36 119.7 . .
C38 C37 C36 121.3(3) . .
C38 C37 H37 119.4 . .
C36 C37 H37 119.4 . .
C37 C38 C39 118.0(3) . .
C37 C38 H38 121.0 . .
C39 C38 H38 121.0 . .
C38 C39 C40 121.3(2) . .
C38 C39 H39 119.3 . .
C40 C39 H39 119.3 . .
C35 C40 C39 121.9(3) . .
C35 C40 H40 119.0 . .
C39 C40 H40 119.0 . .
C42 C41 C41 116.8(7) . 2_556
C42 C41 H41A 108.1 . .
C41 C41 H41A 108.1 2_556 .
C42 C41 H41B 108.1 . .
C41 C41 H41B 108.1 2_556 .
H41A C41 H41B 107.3 . .
C43 C42 C41 121.0(7) . .
C43 C42 H42A 117.0 . .
C41 C42 H42A 117.9 . .
C43 C42 H42B 97.0 . .
C41 C42 H42B 85.0 . .
H42A C42 H42B 108.6 . .
C43 C42' C41' 119.9(8) . .
C43 C42' H42C 107.3 . .
C41' C42' H42C 107.3 . .
C43 C42' H42D 107.4 . .
C41' C42' H42D 107.4 . .
H42C C42' H42D 106.9 . .
C42' C41' C41' 136.8(12) . 2_556
C42' C41' H41E 102.9 . .
C41' C41' H41E 102.9 2_556 .
C42' C41' H41F 103.0 . .
C41' C41' H41F 102.9 2_556 .
H41E C41' H41F 105.1 . .
C42 C43 H43A 109.5 . .
C42 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
C42 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
C17 O2 Dy1 129.76(15) . .
C19 O3 Dy1 134.77(15) . .
C34 O4 Dy1 137.94(9) . .
C32 O5 Dy1 137.35(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O5 2.2602(13) .
Dy1 O3 2.2719(14) .
Dy1 O2 2.2808(12) .
Dy1 O4 2.2832(15) .
Dy1 O1 2.3002(13) 2_666
Dy1 O1 2.3404(12) .
Dy1 N1 2.4943(17) 2_666
Dy1 Dy1 3.7652(3) 2_666
O1 C1 1.336(2) .
O1 Dy1 2.3001(13) 2_666
N1 C9 1.322(3) .
N1 C6 1.370(3) .
N1 Dy1 2.4943(17) 2_666
C1 C2 1.359(3) .
C1 C6 1.416(3) .
C2 C3 1.396(4) .
C2 H2 0.9300 .
C3 C4 1.354(5) .
C3 H3 0.9300 .
C4 C5 1.391(4) .
C4 H4 0.9300 .
C5 C7 1.398(4) .
C5 C6 1.408(3) .
C7 C8 1.358(5) .
C7 H7 0.9300 .
C8 C9 1.410(4) .
C8 H8 0.9300 .
C9 C10 1.494(4) .
C10 H10A 0.9600 .
C10 H10B 0.9599 .
C10 H10C 0.9600 .
C11 C12 1.362(4) .
C11 C16 1.369(4) .
C11 H11 0.9300 .
C12 C13 1.337(4) .
C12 H12 0.9300 .
C13 C14 1.369(6) .
C13 H13 0.9300 .
C14 C15 1.399(4) .
C14 H14 0.9300 .
C15 C16 1.377(3) .
C15 H15 0.9300 .
C16 C17 1.489(3) .
C17 O2 1.2736(18) .
C17 C18 1.394(3) .
C18 C19 1.395(3) .
C18 H18 0.9300 .
C19 O3 1.2590(16) .
C19 C20 1.491(3) .
C20 C21 1.370(2) .
C20 C25 1.388(3) .
C21 C22 1.372(4) .
C21 H21 0.9300 .
C22 C23 1.355(4) .
C22 H22 0.9300 .
C23 C24 1.359(3) .
C23 H23 0.9300 .
C24 C25 1.364(4) .
C24 H24 0.9300 .
C25 H25 0.9300 .
C26 C31 1.350(4) .
C26 C27 1.360(3) .
C26 H26 0.9300 .
C27 C28 1.375(6) .
C27 H27 0.9300 .
C28 C29 1.328(5) .
C28 H28 0.9300 .
C29 C30 1.395(3) .
C29 H29 0.9300 .
C30 C31 1.374(4) .
C30 H30 0.9300 .
C31 C32 1.493(2) .
C32 O5 1.270(3) .
C32 C33 1.379(3) .
C33 C34 1.397(2) .
C33 H33 0.9300 .
C34 O4 1.263(3) .
C34 C35 1.477(3) .
C35 C40 1.356(3) .
C35 C36 1.370(4) .
C36 C37 1.408(4) .
C36 H36 0.9300 .
C37 C38 1.339(3) .
C37 H37 0.9300 .
C38 C39 1.353(5) .
C38 H38 0.9300 .
C39 C40 1.378(4) .
C39 H39 0.9300 .
C40 H40 0.9300 .
C41 C42 1.686(10) .
C41 C41 1.729(8) 2_556
C41 H41A 0.9700 .
C41 H41B 0.9700 .
C42 C43 1.677(9) .
C42 H42A 0.9699 .
C42 H42B 0.9646 .
C42' C43 1.448(11) .
C42' C41' 1.495(10) .
C42' H42C 0.9700 .
C42' H42D 0.9700 .
C41' C41' 1.534(10) 2_556
C41' H41E 0.9700 .
C41' H41F 0.9700 .
C43 H43A 0.9600 .
C43 H43B 0.9600 .
C43 H43C 0.9600 .
