#------------------------------------------------------------------------------
#$Date: 2019-11-07 23:43:19 +0200 (Thu, 07 Nov 2019) $
#$Revision: 224089 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/83/7048385.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_7048385
loop_
_publ_author_name
'Wu, Dong-Fang'
'Liu, Zhen'
'Ren, Peng'
'Liu, Xiao-He'
'Wang, Ning'
'Cui, Jian-Zhong'
'Gao, Hong-Ling'
_publ_section_title
;
 A new family of dinuclear lanthanide complexes constructed from an
 8-hydroxyquinoline Schiff base and β-diketone: magnetic properties and
 near-infrared luminescence.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1392
_journal_page_last               1403
_journal_paper_doi               10.1039/c8dt04384a
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         '0.25(C92 H64 Dy2 N6 O14)'
_chemical_formula_sum            'C23 H16 Dy0.5 N1.5 O3.5'
_chemical_formula_weight         450.62
_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   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2018-07-25
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2018-07-31 deposited with the CCDC.
2018-12-19 downloaded from the CCDC.
;
_cell_angle_alpha                96.06(3)
_cell_angle_beta                 107.36(3)
_cell_angle_gamma                109.23(3)
_cell_formula_units_Z            4
_cell_length_a                   11.042(2)
_cell_length_b                   13.819(3)
_cell_length_c                   14.209(3)
_cell_measurement_reflns_used    6626
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.8664
_cell_measurement_theta_min      2.0893
_cell_volume                     1903.3(9)
_computing_cell_refinement       crystalclear
_computing_data_collection       crystalclear
_computing_data_reduction        crystalclear
_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    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      113
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku Saturn 70'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0419
_diffrn_reflns_av_unetI/netI     0.0458
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            18278
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.020
_diffrn_reflns_theta_max         25.020
_diffrn_reflns_theta_min         2.089
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.021
_exptl_absorpt_correction_T_max  0.7935
_exptl_absorpt_correction_T_min  0.6880
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   crystalclear
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.572
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             902
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.440
_refine_diff_density_min         -1.000
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     514
_refine_ls_number_reflns         6711
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0298
_refine_ls_R_factor_gt           0.0272
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0338P)²+0.1566P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0663
_refine_ls_wR_factor_ref         0.0679
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6225
_reflns_number_total             6711
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt04384a2.cif
_cod_data_source_block           r20180119b1
_cod_depositor_comments
'Adding full bibliography for 7048384--7048389.cif.'
_cod_original_cell_volume        1903.4(8)
_cod_original_formula_sum        'C23 H16 Dy0.50 N1.50 O3.50'
_cod_database_code               7048385
_shelx_shelxl_version_number     2018/3
_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   0.793
_shelx_estimated_absorpt_t_min   0.688
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C7(H7), C8(H8), C10(H10), C12(H12), C13(H13),
 C15(H15), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C21(H21), C24(H24),
  C27(H27), C28(H28), C29(H29), C30(H30), C31(H31), C32(H32), C33(H33),
 C34(H34), C35(H35), C36(H36), C39(H39), C42(H42), C43(H43), C44(H44), C45(H45),
  C46(H46)
;
_olex2_submission_special_instructions 'No special instructions were received'
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
Dy1 Dy 0.17788(2) 0.55185(2) 0.10651(2) 0.01735(6) Uani 1 1 d .
O1 O 0.05785(19) 0.52101(15) -0.07265(15) 0.0199(4) Uani 1 1 d .
O2 O 0.5929(3) 0.7050(2) 0.68538(19) 0.0538(8) Uani 1 1 d .
O3 O 0.6963(3) 0.8631(2) 0.6735(2) 0.0596(8) Uani 1 1 d .
O4 O 0.1710(2) 0.39303(15) 0.02846(16) 0.0238(5) Uani 1 1 d .
O5 O 0.1810(2) 0.44174(16) 0.22019(16) 0.0253(5) Uani 1 1 d .
O6 O 0.2201(2) 0.71985(15) 0.07936(15) 0.0233(5) Uani 1 1 d .
O7 O 0.2071(2) 0.66083(15) 0.25245(15) 0.0234(5) Uani 1 1 d .
N1 N 0.3354(2) 0.58796(17) 0.00999(18) 0.0181(5) Uani 1 1 d .
N2 N 0.4465(2) 0.6277(2) 0.21313(19) 0.0249(6) Uani 1 1 d .
N3 N 0.6289(3) 0.7687(3) 0.6364(2) 0.0405(8) Uani 1 1 d .
C1 C 0.2767(3) 0.5667(2) -0.0921(2) 0.0182(6) Uani 1 1 d .
C2 C 0.1296(3) 0.5320(2) -0.1344(2) 0.0184(6) Uani 1 1 d .
C3 C 0.0708(3) 0.5111(2) -0.2389(2) 0.0245(7) Uani 1 1 d .
H3 H -0.025892 0.488790 -0.269389 0.029 Uiso 1 1 calc R
C4 C 0.1500(3) 0.5219(3) -0.3007(3) 0.0309(8) Uani 1 1 d .
H4 H 0.105153 0.506022 -0.372061 0.037 Uiso 1 1 calc R
C5 C 0.2900(3) 0.5547(3) -0.2617(2) 0.0311(8) Uani 1 1 d .
H5 H 0.341279 0.561395 -0.305446 0.037 Uiso 1 1 calc R
C6 C 0.3570(3) 0.5782(2) -0.1560(2) 0.0230(7) Uani 1 1 d .
C7 C 0.5005(3) 0.6137(2) -0.1080(3) 0.0260(7) Uani 1 1 d .
H7 H 0.557547 0.621763 -0.147569 0.031 Uiso 1 1 calc R
C8 C 0.5577(3) 0.6364(2) -0.0050(2) 0.0261(7) Uani 1 1 d .
H8 H 0.654369 0.660988 0.027439 0.031 Uiso 1 1 calc R
C9 C 0.4724(3) 0.6232(2) 0.0525(2) 0.0223(7) Uani 1 1 d .
C10 C 0.5274(3) 0.6476(2) 0.1630(2) 0.0245(7) Uani 1 1 d .
H10 H 0.623762 0.678540 0.197944 0.029 Uiso 1 1 calc R
C11 C 0.5053(3) 0.6632(2) 0.3206(2) 0.0232(7) Uani 1 1 d .
C12 C 0.5892(3) 0.7686(3) 0.3663(3) 0.0341(8) Uani 1 1 d .
H12 H 0.616302 0.816490 0.326259 0.041 Uiso 1 1 calc R
C13 C 0.6328(4) 0.8030(3) 0.4711(3) 0.0369(9) Uani 1 1 d .
H13 H 0.691090 0.874091 0.503335 0.044 Uiso 1 1 calc R
C14 C 0.5902(3) 0.7325(3) 0.5270(2) 0.0315(8) Uani 1 1 d .
C15 C 0.5088(3) 0.6281(3) 0.4835(3) 0.0354(8) Uani 1 1 d .
H15 H 0.482575 0.580508 0.524118 0.042 Uiso 1 1 calc R
C16 C 0.4655(3) 0.5935(3) 0.3789(2) 0.0327(8) Uani 1 1 d .
H16 H 0.408645 0.521915 0.347573 0.039 Uiso 1 1 calc R
C17 C 0.0767(3) 0.2529(3) -0.1506(3) 0.0314(8) Uani 1 1 d .
H17 H 0.107590 0.326164 -0.148523 0.038 Uiso 1 1 calc R
C18 C 0.0398(4) 0.1824(3) -0.2405(3) 0.0398(9) Uani 1 1 d .
H18 H 0.047500 0.207589 -0.299036 0.048 Uiso 1 1 calc R
C19 C -0.0082(4) 0.0759(3) -0.2455(3) 0.0442(10) Uani 1 1 d .
H19 H -0.033526 0.027370 -0.307142 0.053 Uiso 1 1 calc R
C20 C -0.0190(4) 0.0407(3) -0.1612(3) 0.0497(11) Uani 1 1 d .
H20 H -0.053622 -0.032842 -0.164870 0.060 Uiso 1 1 calc R
C21 C 0.0200(4) 0.1108(2) -0.0701(3) 0.0372(9) Uani 1 1 d .
H21 H 0.012707 0.084830 -0.011863 0.045 Uiso 1 1 calc R
C22 C 0.0696(3) 0.2187(2) -0.0634(2) 0.0233(7) Uani 1 1 d .
C23 C 0.1103(3) 0.2993(2) 0.0315(2) 0.0214(7) Uani 1 1 d .
C24 C 0.0806(3) 0.2701(2) 0.1166(2) 0.0259(7) Uani 1 1 d .
H24 H 0.031190 0.197983 0.112189 0.031 Uiso 1 1 calc R
C25 C 0.1204(3) 0.3424(2) 0.2070(2) 0.0234(7) Uani 1 1 d .
C26 C 0.0931(3) 0.3042(3) 0.2974(2) 0.0285(7) Uani 1 1 d .
C27 C 0.0070(4) 0.2031(3) 0.2908(3) 0.0416(9) Uani 1 1 d .
H27 H -0.037368 0.154267 0.227137 0.050 Uiso 1 1 calc R
C28 C -0.0157(5) 0.1718(3) 0.3756(3) 0.0555(11) Uani 1 1 d .
H28 H -0.075963 0.102100 0.369253 0.067 Uiso 1 1 calc R
C29 C 0.0478(5) 0.2401(4) 0.4681(3) 0.0551(12) Uani 1 1 d .
H29 H 0.032915 0.217787 0.526134 0.066 Uiso 1 1 calc R
C30 C 0.1339(4) 0.3418(4) 0.4768(3) 0.0511(11) Uani 1 1 d .
H30 H 0.177684 0.389758 0.540960 0.061 Uiso 1 1 calc R
C31 C 0.1569(4) 0.3747(3) 0.3918(3) 0.0365(8) Uani 1 1 d .
H31 H 0.215712 0.444910 0.398173 0.044 Uiso 1 1 calc R
C32 C 0.2910(3) 0.8759(3) -0.0223(2) 0.0347(8) Uani 1 1 d .
H32 H 0.266569 0.804755 -0.054208 0.042 Uiso 1 1 calc R
C33 C 0.3170(4) 0.9532(3) -0.0759(3) 0.0468(10) Uani 1 1 d .
H33 H 0.311682 0.935338 -0.143790 0.056 Uiso 1 1 calc R
C34 C 0.3507(4) 1.0564(3) -0.0306(3) 0.0544(11) Uani 1 1 d .
H34 H 0.368394 1.109747 -0.067414 0.065 Uiso 1 1 calc R
C35 C 0.3586(5) 1.0819(3) 0.0673(3) 0.0533(11) Uani 1 1 d .
H35 H 0.380644 1.152978 0.097976 0.064 Uiso 1 1 calc R
C36 C 0.3348(4) 1.0050(3) 0.1222(3) 0.0380(9) Uani 1 1 d .
H36 H 0.342158 1.023784 0.190573 0.046 Uiso 1 1 calc R
C37 C 0.3001(3) 0.9003(2) 0.0777(2) 0.0253(7) Uani 1 1 d .
C38 C 0.2686(3) 0.8137(2) 0.1325(2) 0.0226(7) Uani 1 1 d .
C39 C 0.2922(3) 0.8361(2) 0.2367(2) 0.0264(7) Uani 1 1 d .
H39 H 0.334782 0.907728 0.272281 0.032 Uiso 1 1 calc R
C40 C 0.2570(3) 0.7603(2) 0.2905(2) 0.0212(6) Uani 1 1 d .
C41 C 0.2781(3) 0.7903(2) 0.4010(2) 0.0245(7) Uani 1 1 d .
C42 C 0.3320(4) 0.8945(3) 0.4545(3) 0.0442(10) Uani 1 1 d .
H42 H 0.350317 0.949780 0.419999 0.053 Uiso 1 1 calc R
C43 C 0.3591(5) 0.9180(3) 0.5576(3) 0.0555(12) Uani 1 1 d .
H43 H 0.397526 0.989509 0.593285 0.067 Uiso 1 1 calc R
C44 C 0.3313(4) 0.8397(3) 0.6091(3) 0.0427(9) Uani 1 1 d .
H44 H 0.351673 0.856520 0.680048 0.051 Uiso 1 1 calc R
C45 C 0.2735(4) 0.7362(3) 0.5563(3) 0.0416(9) Uani 1 1 d .
H45 H 0.251144 0.681043 0.590505 0.050 Uiso 1 1 calc R
C46 C 0.2479(4) 0.7128(3) 0.4530(2) 0.0319(8) Uani 1 1 d .
H46 H 0.208419 0.641279 0.417390 0.038 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 0.0033 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'
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 Dy1 36.10(5) 2_565 2_565
O1 Dy1 Dy1 34.80(5) . 2_565
O1 Dy1 O1 70.90(8) 2_565 .
O1 Dy1 O5 82.34(8) 2_565 .
O1 Dy1 N1 138.01(7) 2_565 .
O1 Dy1 N1 67.50(7) . .
O1 Dy1 N2 130.28(8) . .
O1 Dy1 N2 158.77(8) 2_565 .
O4 Dy1 Dy1 79.13(6) . 2_565
O4 Dy1 O1 90.70(8) . 2_565
O4 Dy1 O1 71.69(8) . .
O4 Dy1 O5 70.84(7) . .
O4 Dy1 N1 71.26(8) . .
O4 Dy1 N2 95.07(8) . .
O5 Dy1 Dy1 110.20(6) . 2_565
O5 Dy1 O1 133.07(7) . .
O5 Dy1 N1 123.30(8) . .
O5 Dy1 N2 80.32(8) . .
O6 Dy1 Dy1 90.74(6) . 2_565
O6 Dy1 O1 76.90(8) . .
O6 Dy1 O1 104.79(8) . 2_565
O6 Dy1 O4 137.96(7) . .
O6 Dy1 O5 148.77(7) . .
O6 Dy1 N1 71.28(8) . .
O6 Dy1 N2 84.36(8) . .
O7 Dy1 Dy1 117.35(6) . 2_565
O7 Dy1 O1 137.43(7) . .
O7 Dy1 O1 90.02(8) . 2_565
O7 Dy1 O4 148.48(8) . .
O7 Dy1 O5 78.04(7) . .
O7 Dy1 O6 71.68(8) . .
O7 Dy1 N1 125.12(8) . .
O7 Dy1 N2 74.50(8) . .
N1 Dy1 Dy1 102.14(6) . 2_565
N1 Dy1 N2 62.89(8) . .
N2 Dy1 Dy1 165.03(6) . 2_565
Dy1 O1 Dy1 109.10(8) 2_565 .
C2 O1 Dy1 118.83(17) . .
C2 O1 Dy1 131.22(17) . 2_565
C23 O4 Dy1 132.34(19) . .
C25 O5 Dy1 131.38(19) . .
C38 O6 Dy1 137.7(2) . .
C40 O7 Dy1 137.19(19) . .
C1 N1 Dy1 116.77(18) . .
C9 N1 Dy1 124.1(2) . .
C9 N1 C1 119.1(3) . .
C10 N2 Dy1 116.8(2) . .
C10 N2 C11 117.8(3) . .
C11 N2 Dy1 124.49(19) . .
O2 N3 O3 123.6(3) . .
O2 N3 C14 119.0(3) . .
O3 N3 C14 117.4(3) . .
N1 C1 C2 117.3(3) . .
N1 C1 C6 121.7(3) . .
C6 C1 C2 121.0(3) . .
O1 C2 C1 119.4(3) . .
O1 C2 C3 123.8(3) . .
C3 C2 C1 116.7(3) . .
C2 C3 H3 119.1 . .
C2 C3 C4 121.9(3) . .
C4 C3 H3 119.1 . .
C3 C4 H4 118.9 . .
C5 C4 C3 122.1(3) . .
C5 C4 H4 118.9 . .
C4 C5 H5 120.4 . .
C4 C5 C6 119.2(3) . .
C6 C5 H5 120.4 . .
C5 C6 C1 119.1(3) . .
C5 C6 C7 123.8(3) . .
C7 C6 C1 117.2(3) . .
C6 C7 H7 119.9 . .
C8 C7 C6 120.2(3) . .
C8 C7 H7 119.9 . .
C7 C8 H8 120.3 . .
C7 C8 C9 119.4(3) . .
C9 C8 H8 120.3 . .
N1 C9 C8 122.4(3) . .
N1 C9 C10 115.6(3) . .
C8 C9 C10 122.1(3) . .
N2 C10 C9 120.5(3) . .
N2 C10 H10 119.8 . .
C9 C10 H10 119.8 . .
C12 C11 N2 121.1(3) . .
C16 C11 N2 118.3(3) . .
C16 C11 C12 120.2(3) . .
C11 C12 H12 120.2 . .
C13 C12 C11 119.6(3) . .
C13 C12 H12 120.2 . .
C12 C13 H13 120.5 . .
C14 C13 C12 119.0(3) . .
C14 C13 H13 120.5 . .
C13 C14 N3 119.6(3) . .
C13 C14 C15 122.3(3) . .
C15 C14 N3 118.1(3) . .
C14 C15 H15 120.6 . .
C14 C15 C16 118.8(3) . .
C16 C15 H15 120.6 . .
C11 C16 C15 120.1(3) . .
C11 C16 H16 119.9 . .
C15 C16 H16 119.9 . .
C18 C17 H17 119.4 . .
C18 C17 C22 121.3(3) . .
C22 C17 H17 119.4 . .
C17 C18 H18 119.9 . .
C19 C18 C17 120.1(4) . .
C19 C18 H18 119.9 . .
C18 C19 H19 120.3 . .
C20 C19 C18 119.5(3) . .
C20 C19 H19 120.3 . .
C19 C20 H20 119.6 . .
C19 C20 C21 120.9(4) . .
C21 C20 H20 119.6 . .
C20 C21 H21 119.8 . .
C20 C21 C22 120.5(4) . .
C22 C21 H21 119.8 . .
C17 C22 C21 117.7(3) . .
C17 C22 C23 118.6(3) . .
C21 C22 C23 123.7(3) . .
O4 C23 C22 115.2(3) . .
O4 C23 C24 123.5(3) . .
C24 C23 C22 121.3(3) . .
C23 C24 H24 118.6 . .
C25 C24 C23 122.8(3) . .
C25 C24 H24 118.6 . .
O5 C25 C24 124.2(3) . .
O5 C25 C26 116.0(3) . .
C24 C25 C26 119.8(3) . .
C27 C26 C25 123.1(3) . .
C27 C26 C31 118.5(3) . .
C31 C26 C25 118.5(3) . .
C26 C27 H27 119.5 . .
C26 C27 C28 121.0(4) . .
C28 C27 H27 119.5 . .
C27 C28 H28 119.7 . .
C29 C28 C27 120.7(4) . .
C29 C28 H28 119.7 . .
C28 C29 H29 120.2 . .
C28 C29 C30 119.5(4) . .
C30 C29 H29 120.2 . .
C29 C30 H30 119.8 . .
C29 C30 C31 120.5(4) . .
C31 C30 H30 119.8 . .
C26 C31 C30 119.9(4) . .
C26 C31 H31 120.1 . .
C30 C31 H31 120.1 . .
C33 C32 H32 119.4 . .
C33 C32 C37 121.1(3) . .
C37 C32 H32 119.4 . .
C32 C33 H33 120.1 . .
C32 C33 C34 119.9(4) . .
C34 C33 H33 120.1 . .
C33 C34 H34 120.0 . .
C35 C34 C33 119.9(4) . .
C35 C34 H34 120.0 . .
C34 C35 H35 119.7 . .
C34 C35 C36 120.6(4) . .
C36 C35 H35 119.7 . .
C35 C36 H36 119.8 . .
C35 C36 C37 120.3(4) . .
C37 C36 H36 119.8 . .
C32 C37 C36 118.2(3) . .
C32 C37 C38 119.3(3) . .
C36 C37 C38 122.5(3) . .
O6 C38 C37 116.3(3) . .
O6 C38 C39 122.7(3) . .
C39 C38 C37 121.0(3) . .
C38 C39 H39 118.0 . .
C40 C39 C38 124.0(3) . .
C40 C39 H39 118.0 . .
O7 C40 C39 123.8(3) . .
O7 C40 C41 115.0(3) . .
C39 C40 C41 121.2(3) . .
C42 C41 C40 122.7(3) . .
C46 C41 C40 119.5(3) . .
C46 C41 C42 117.8(3) . .
C41 C42 H42 119.7 . .
C43 C42 C41 120.5(4) . .
C43 C42 H42 119.7 . .
C42 C43 H43 119.5 . .
C44 C43 C42 121.0(4) . .
C44 C43 H43 119.5 . .
C43 C44 H44 120.5 . .
C43 C44 C45 119.1(3) . .
C45 C44 H44 120.5 . .
C44 C45 H45 120.1 . .
C44 C45 C46 119.7(3) . .
C46 C45 H45 120.1 . .
C41 C46 C45 121.8(3) . .
C41 C46 H46 119.1 . .
C45 C46 H46 119.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 Dy1 3.8636(19) 2_565
Dy1 O1 2.333(2) 2_565
Dy1 O1 2.409(2) .
Dy1 O4 2.319(2) .
Dy1 O5 2.333(2) .
Dy1 O6 2.311(2) .
Dy1 O7 2.301(2) .
Dy1 N1 2.480(2) .
Dy1 N2 2.670(3) .
O1 C2 1.336(3) .
O2 N3 1.218(4) .
O3 N3 1.230(4) .
O4 C23 1.260(3) .
O5 C25 1.278(4) .
O6 C38 1.278(4) .
O7 C40 1.286(3) .
N1 C1 1.355(4) .
N1 C9 1.341(4) .
N2 C10 1.280(4) .
N2 C11 1.427(4) .
N3 C14 1.466(4) .
C1 C2 1.440(4) .
C1 C6 1.432(4) .
C2 C3 1.386(4) .
C3 H3 0.9500 .
C3 C4 1.399(4) .
C4 H4 0.9500 .
C4 C5 1.370(4) .
C5 H5 0.9500 .
C5 C6 1.409(4) .
C6 C7 1.411(4) .
C7 H7 0.9500 .
C7 C8 1.364(5) .
C8 H8 0.9500 .
C8 C9 1.402(4) .
C9 C10 1.460(4) .
C10 H10 0.9500 .
C11 C12 1.398(4) .
C11 C16 1.383(5) .
C12 H12 0.9500 .
C12 C13 1.396(5) .
C13 H13 0.9500 .
C13 C14 1.373(5) .
C14 C15 1.378(5) .
C15 H15 0.9500 .
C15 C16 1.393(5) .
C16 H16 0.9500 .
C17 H17 0.9500 .
C17 C18 1.383(5) .
C17 C22 1.387(5) .
C18 H18 0.9500 .
C18 C19 1.377(5) .
C19 H19 0.9500 .
C19 C20 1.361(5) .
C20 H20 0.9500 .
C20 C21 1.389(5) .
C21 H21 0.9500 .
C21 C22 1.390(4) .
C22 C23 1.501(4) .
C23 C24 1.409(4) .
C24 H24 0.9500 .
C24 C25 1.394(4) .
C25 C26 1.514(5) .
C26 C27 1.382(5) .
C26 C31 1.398(5) .
C27 H27 0.9500 .
C27 C28 1.385(5) .
C28 H28 0.9500 .
C28 C29 1.365(6) .
C29 H29 0.9500 .
C29 C30 1.382(6) .
C30 H30 0.9500 .
C30 C31 1.397(5) .
C31 H31 0.9500 .
C32 H32 0.9500 .
C32 C33 1.380(5) .
C32 C37 1.391(5) .
C33 H33 0.9500 .
C33 C34 1.378(5) .
C34 H34 0.9500 .
C34 C35 1.368(6) .
C35 H35 0.9500 .
C35 C36 1.386(5) .
C36 H36 0.9500 .
C36 C37 1.392(5) .
C37 C38 1.497(4) .
C38 C39 1.406(4) .
C39 H39 0.9500 .
C39 C40 1.382(4) .
C40 C41 1.507(4) .
C41 C42 1.393(5) .
C41 C46 1.371(5) .
C42 H42 0.9500 .
C42 C43 1.383(5) .
C43 H43 0.9500 .
C43 C44 1.372(5) .
C44 H44 0.9500 .
C44 C45 1.379(5) .
C45 H45 0.9500 .
C45 C46 1.391(5) .
C46 H46 0.9500 .
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
Dy1 O1 C2 C1 -171.14(18) 2_565
Dy1 O1 C2 C1 -3.0(3) .
Dy1 O1 C2 C3 176.6(2) .
Dy1 O1 C2 C3 8.4(4) 2_565
Dy1 O4 C23 C22 149.3(2) .
Dy1 O4 C23 C24 -30.2(4) .
Dy1 O5 C25 C24 27.1(4) .
Dy1 O5 C25 C26 -153.3(2) .
Dy1 O6 C38 C37 168.40(19) .
Dy1 O6 C38 C39 -11.6(5) .
Dy1 O7 C40 C39 11.5(5) .
Dy1 O7 C40 C41 -167.40(19) .
Dy1 N1 C1 C2 4.0(3) .
Dy1 N1 C1 C6 -176.0(2) .
Dy1 N1 C9 C8 175.9(2) .
Dy1 N1 C9 C10 -4.4(4) .
Dy1 N2 C10 C9 -3.6(4) .
Dy1 N2 C11 C12 -115.3(3) .
Dy1 N2 C11 C16 57.7(4) .
O1 C2 C3 C4 -178.8(3) .
O2 N3 C14 C13 -178.5(3) .
O2 N3 C14 C15 3.0(5) .
O3 N3 C14 C13 1.8(5) .
O3 N3 C14 C15 -176.7(3) .
O4 C23 C24 C25 -2.5(5) .
O5 C25 C26 C27 167.5(3) .
O5 C25 C26 C31 -11.8(4) .
O6 C38 C39 C40 -4.6(5) .
O7 C40 C41 C42 179.6(3) .
O7 C40 C41 C46 1.9(4) .
N1 C1 C2 O1 -0.8(4) .
N1 C1 C2 C3 179.6(3) .
N1 C1 C6 C5 179.8(3) .
N1 C1 C6 C7 -0.6(4) .
N1 C9 C10 N2 5.3(4) .
N2 C11 C12 C13 173.1(3) .
N2 C11 C16 C15 -173.0(3) .
N3 C14 C15 C16 176.9(3) .
C1 N1 C9 C8 -1.8(4) .
C1 N1 C9 C10 177.9(3) .
C1 C2 C3 C4 0.7(5) .
C1 C6 C7 C8 -0.6(4) .
C2 C1 C6 C5 -0.2(4) .
C2 C1 C6 C7 179.4(3) .
C2 C3 C4 C5 -0.6(5) .
C3 C4 C5 C6 0.1(5) .
C4 C5 C6 C1 0.3(5) .
C4 C5 C6 C7 -179.2(3) .
C5 C6 C7 C8 178.9(3) .
C6 C1 C2 O1 179.2(2) .
C6 C1 C2 C3 -0.3(4) .
C6 C7 C8 C9 0.6(5) .
C7 C8 C9 N1 0.6(5) .
C7 C8 C9 C10 -179.1(3) .
C8 C9 C10 N2 -175.0(3) .
C9 N1 C1 C2 -178.2(3) .
C9 N1 C1 C6 1.8(4) .
C10 N2 C11 C12 53.8(4) .
C10 N2 C11 C16 -133.1(3) .
C11 N2 C10 C9 -173.6(3) .
C11 C12 C13 C14 -1.1(5) .
C12 C11 C16 C15 0.1(5) .
C12 C13 C14 N3 -176.6(3) .
C12 C13 C14 C15 1.8(5) .
C13 C14 C15 C16 -1.6(5) .
C14 C15 C16 C11 0.6(5) .
C16 C11 C12 C13 0.1(5) .
C17 C18 C19 C20 0.1(6) .
C17 C22 C23 O4 -12.1(4) .
C17 C22 C23 C24 167.4(3) .
C18 C17 C22 C21 -1.9(5) .
C18 C17 C22 C23 -179.6(3) .
C18 C19 C20 C21 -1.1(6) .
C19 C20 C21 C22 0.7(6) .
C20 C21 C22 C17 0.8(5) .
C20 C21 C22 C23 178.4(3) .
C21 C22 C23 O4 170.4(3) .
C21 C22 C23 C24 -10.1(5) .
C22 C17 C18 C19 1.5(5) .
C22 C23 C24 C25 178.0(3) .
C23 C24 C25 O5 3.6(5) .
C23 C24 C25 C26 -175.9(3) .
C24 C25 C26 C27 -13.0(5) .
C24 C25 C26 C31 167.7(3) .
C25 C26 C27 C28 -179.6(3) .
C25 C26 C31 C30 -179.9(3) .
C26 C27 C28 C29 -0.6(7) .
C27 C26 C31 C30 0.7(5) .
C27 C28 C29 C30 1.0(7) .
C28 C29 C30 C31 -0.5(6) .
C29 C30 C31 C26 -0.4(6) .
C31 C26 C27 C28 -0.2(6) .
C32 C33 C34 C35 0.2(7) .
C32 C37 C38 O6 -7.5(4) .
C32 C37 C38 C39 172.4(3) .
C33 C32 C37 C36 0.6(5) .
C33 C32 C37 C38 178.9(3) .
C33 C34 C35 C36 0.8(7) .
C34 C35 C36 C37 -1.1(6) .
C35 C36 C37 C32 0.4(5) .
C35 C36 C37 C38 -177.9(3) .
C36 C37 C38 O6 170.7(3) .
C36 C37 C38 C39 -9.4(5) .
C37 C32 C33 C34 -0.9(6) .
C37 C38 C39 C40 175.5(3) .
C38 C39 C40 O7 4.6(5) .
C38 C39 C40 C41 -176.6(3) .
C39 C40 C41 C42 0.7(5) .
C39 C40 C41 C46 -177.0(3) .
C40 C41 C42 C43 -175.1(4) .
C40 C41 C46 C45 175.9(3) .
C41 C42 C43 C44 -1.2(7) .
C42 C41 C46 C45 -1.9(5) .
C42 C43 C44 C45 -1.1(7) .
C43 C44 C45 C46 1.8(6) .
C44 C45 C46 C41 -0.3(6) .
C46 C41 C42 C43 2.7(6) .
