#------------------------------------------------------------------------------
#$Date: 2019-11-23 08:11:28 +0200 (Sat, 23 Nov 2019) $
#$Revision: 232522 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/78/4347819.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_4347819
loop_
_publ_author_name
'Wang, Yu-Ling'
'Han, Chang-Bao'
'Zhang, Yi-Quan'
'Liu, Qing-Yan'
'Liu, Cai-Ming'
'Yin, Shun-Gao'
_publ_section_title
;
 Fine-Tuning Ligand to Modulate the Magnetic Anisotropy in a
 Carboxylate-Bridged Dy2 Single-Molecule Magnet System.
;
_journal_issue                   11
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5578
_journal_page_last               5584
_journal_paper_doi               10.1021/acs.inorgchem.6b00653
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            'C114 H70 Dy2 N4 O12'
_chemical_formula_weight         2012.74
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                110.723(4)
_cell_angle_beta                 102.983(4)
_cell_angle_gamma                106.928(4)
_cell_formula_units_Z            1
_cell_length_a                   12.5093(5)
_cell_length_b                   13.3389(6)
_cell_length_c                   15.0003(6)
_cell_measurement_reflns_used    6483
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.0010
_cell_measurement_theta_min      3.6590
_cell_volume                     2084.0(2)
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.851
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0552
_diffrn_reflns_av_unetI/netI     0.1072
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.851
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            18605
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.851
_diffrn_reflns_theta_full        25.214
_diffrn_reflns_theta_max         29.194
_diffrn_reflns_theta_min         3.353
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.853
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.68520
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.604
_exptl_crystal_description       plate
_exptl_crystal_F_000             1010
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.060
_refine_diff_density_max         1.011
_refine_diff_density_min         -0.966
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.988
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     595
_refine_ls_number_reflns         9631
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.988
_refine_ls_R_factor_all          0.0669
_refine_ls_R_factor_gt           0.0499
_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)+(0.0011P)²+0.0012P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0671
_refine_ls_wR_factor_ref         0.0737
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7783
_reflns_number_total             9631
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic6b00653_si_002.cif
_cod_data_source_block           2
_cod_original_cell_volume        2083.99(17)
_cod_database_code               4347819
_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.
;
_shelx_estimated_absorpt_t_min   0.606
_shelx_estimated_absorpt_t_max   0.897
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
Dy1 Dy 0.83112(2) 0.42538(2) 0.40888(2) 0.02066(6) Uani 1 1 d . .
O1 O 0.9779(2) 0.6074(2) 0.5220(2) 0.0284(7) Uani 1 1 d . .
O2 O 1.1466(2) 0.7644(2) 0.6101(2) 0.0436(9) Uani 1 1 d . .
O3 O 0.8497(2) 0.4321(2) 0.5666(2) 0.0287(7) Uani 1 1 d . .
O4 O 1.0392(2) 0.5289(2) 0.67892(19) 0.0292(7) Uani 1 1 d . .
O5 O 0.7167(2) 0.2716(2) 0.2353(2) 0.0332(8) Uani 1 1 d . .
O6 O 0.6275(2) 0.2873(2) 0.3468(2) 0.0366(8) Uani 1 1 d . .
N1 N 0.7113(3) 0.5454(3) 0.4826(3) 0.0306(9) Uani 1 1 d . .
N2 N 0.7368(3) 0.5111(3) 0.2998(3) 0.0288(9) Uani 1 1 d . .
C1 C 0.9650(3) 0.7932(3) 0.5631(3) 0.0264(10) Uani 1 1 d . .
C2 C 0.9313(3) 0.8379(4) 0.6463(3) 0.0301(11) Uani 1 1 d . .
C3 C 0.9590(4) 0.8177(4) 0.7330(3) 0.0396(12) Uani 1 1 d . .
H3A H 1.0035 0.7733 0.7365 0.048 Uiso 1 1 calc R U
C4 C 0.9227(4) 0.8610(4) 0.8117(4) 0.0502(14) Uani 1 1 d . .
H4A H 0.9411 0.8450 0.8674 0.060 Uiso 1 1 calc R U
C5 C 0.8577(4) 0.9297(5) 0.8087(4) 0.0580(17) Uani 1 1 d . .
H5A H 0.8337 0.9595 0.8631 0.070 Uiso 1 1 calc R U
C6 C 0.8290(4) 0.9536(4) 0.7290(4) 0.0511(15) Uani 1 1 d . .
H6A H 0.7865 1.0004 0.7293 0.061 Uiso 1 1 calc R U
C7 C 0.8636(3) 0.9073(4) 0.6433(4) 0.0348(12) Uani 1 1 d . .
C8 C 0.8341(4) 0.9288(4) 0.5597(4) 0.0411(13) Uani 1 1 d . .
H8A H 0.7902 0.9743 0.5591 0.049 Uiso 1 1 calc R U
C9 C 0.8674(3) 0.8853(4) 0.4756(3) 0.0331(11) Uani 1 1 d . .
C10 C 0.8395(4) 0.9093(4) 0.3906(4) 0.0444(13) Uani 1 1 d . .
H10A H 0.7961 0.9551 0.3892 0.053 Uiso 1 1 calc R U
C11 C 0.8746(4) 0.8673(4) 0.3117(4) 0.0501(14) Uani 1 1 d . .
H11A H 0.8563 0.8847 0.2569 0.060 Uiso 1 1 calc R U
C12 C 0.9393(4) 0.7967(4) 0.3125(4) 0.0478(14) Uani 1 1 d . .
H12A H 0.9625 0.7670 0.2575 0.057 Uiso 1 1 calc R U
C13 C 0.9678(3) 0.7718(4) 0.3917(3) 0.0346(11) Uani 1 1 d . .
H13A H 1.0104 0.7249 0.3903 0.041 Uiso 1 1 calc R U
C14 C 0.9345(3) 0.8153(4) 0.4779(3) 0.0288(11) Uani 1 1 d . .
C15 C 1.0353(3) 0.7188(4) 0.5651(3) 0.0249(10) Uani 1 1 d . .
C16 C 0.8847(3) 0.4418(4) 0.7315(3) 0.0275(10) Uani 1 1 d . .
C17 C 0.7967(3) 0.3288(4) 0.6996(3) 0.0303(11) Uani 1 1 d . .
C18 C 0.7484(3) 0.2348(4) 0.5983(4) 0.0376(12) Uani 1 1 d . .
H18A H 0.7725 0.2477 0.5476 0.045 Uiso 1 1 calc R U
C19 C 0.6676(4) 0.1266(4) 0.5748(4) 0.0444(13) Uani 1 1 d . .
H19A H 0.6370 0.0675 0.5080 0.053 Uiso 1 1 calc R U
C20 C 0.6293(4) 0.1018(5) 0.6488(4) 0.0513(15) Uani 1 1 d . .
H20A H 0.5751 0.0270 0.6313 0.062 Uiso 1 1 calc R U
C21 C 0.6716(4) 0.1870(5) 0.7445(4) 0.0494(14) Uani 1 1 d . .
H21A H 0.6467 0.1703 0.7935 0.059 Uiso 1 1 calc R U
C22 C 0.7544(3) 0.3034(4) 0.7735(4) 0.0351(12) Uani 1 1 d . .
C23 C 0.7942(4) 0.3919(4) 0.8731(4) 0.0426(13) Uani 1 1 d . .
H23A H 0.7634 0.3752 0.9196 0.051 Uiso 1 1 calc R U
C24 C 0.8783(4) 0.5040(4) 0.9047(3) 0.0346(12) Uani 1 1 d . .
C25 C 0.9180(4) 0.5916(5) 1.0074(4) 0.0465(14) Uani 1 1 d . .
H25A H 0.8851 0.5739 1.0525 0.056 Uiso 1 1 calc R U
C26 C 1.0026(4) 0.6999(5) 1.0402(4) 0.0495(14) Uani 1 1 d . .
H26A H 1.0275 0.7567 1.1072 0.059 Uiso 1 1 calc R U
C27 C 1.0527(4) 0.7260(4) 0.9723(3) 0.0451(14) Uani 1 1 d . .
H27A H 1.1108 0.8008 0.9950 0.054 Uiso 1 1 calc R U
C28 C 1.0187(4) 0.6454(4) 0.8749(3) 0.0370(12) Uani 1 1 d . .
H28A H 1.0555 0.6657 0.8327 0.044 Uiso 1 1 calc R U
C29 C 0.9280(3) 0.5298(4) 0.8342(3) 0.0302(11) Uani 1 1 d . .
C30 C 0.9284(3) 0.4700(4) 0.6527(3) 0.0273(10) Uani 1 1 d . .
C31 C 0.5141(3) 0.1366(4) 0.1725(3) 0.0267(10) Uani 1 1 d . .
C32 C 0.4262(3) 0.1612(4) 0.1194(3) 0.0300(11) Uani 1 1 d . .
C33 C 0.4288(4) 0.2753(4) 0.1474(4) 0.0417(13) Uani 1 1 d . .
H33A H 0.4914 0.3381 0.2052 0.050 Uiso 1 1 calc R U
C34 C 0.3425(4) 0.2959(5) 0.0926(4) 0.0559(16) Uani 1 1 d . .
H34A H 0.3460 0.3716 0.1129 0.067 Uiso 1 1 calc R U
C35 C 0.2474(4) 0.2007(5) 0.0041(4) 0.0567(16) Uani 1 1 d . .
H35A H 0.1876 0.2144 -0.0329 0.068 Uiso 1 1 calc R U
C36 C 0.2419(4) 0.0912(5) -0.0275(4) 0.0445(14) Uani 1 1 d . .
H36A H 0.1797 0.0309 -0.0871 0.053 Uiso 1 1 calc R U
C37 C 0.3290(3) 0.0655(4) 0.0284(3) 0.0323(11) Uani 1 1 d . .
C38 C 0.3250(3) -0.0469(4) -0.0028(3) 0.0312(11) Uani 1 1 d . .
H38A H 0.2644 -0.1073 -0.0633 0.037 Uiso 1 1 calc R U
C39 C 0.4085(3) -0.0723(4) 0.0533(3) 0.0289(11) Uani 1 1 d . .
C40 C 0.4052(4) -0.1873(4) 0.0222(3) 0.0343(12) Uani 1 1 d . .
H40A H 0.3440 -0.2486 -0.0374 0.041 Uiso 1 1 calc R U
C41 C 0.4875(4) -0.2097(4) 0.0764(3) 0.0387(12) Uani 1 1 d . .
H41A H 0.4829 -0.2859 0.0541 0.046 Uiso 1 1 calc R U
C42 C 0.5817(4) -0.1184(4) 0.1674(3) 0.0406(12) Uani 1 1 d . .
H42A H 0.6374 -0.1352 0.2055 0.049 Uiso 1 1 calc R U
C43 C 0.5911(3) -0.0059(4) 0.1996(3) 0.0336(11) Uani 1 1 d . .
H43A H 0.6545 0.0538 0.2587 0.040 Uiso 1 1 calc R U
C44 C 0.5056(3) 0.0213(4) 0.1441(3) 0.0285(11) Uani 1 1 d . .
C45 C 0.6259(3) 0.2372(4) 0.2583(3) 0.0279(10) Uani 1 1 d . .
C46 C 0.6999(4) 0.5660(4) 0.5720(4) 0.0431(13) Uani 1 1 d . .
H46A H 0.7373 0.5370 0.6115 0.052 Uiso 1 1 calc R U
C47 C 0.6352(4) 0.6287(4) 0.6113(4) 0.0516(16) Uani 1 1 d . .
H47A H 0.6311 0.6419 0.6754 0.062 Uiso 1 1 calc R U
C48 C 0.5784(4) 0.6699(4) 0.5530(4) 0.0561(17) Uani 1 1 d . .
H48A H 0.5337 0.7106 0.5768 0.067 Uiso 1 1 calc R U
C49 C 0.5870(4) 0.6514(4) 0.4587(4) 0.0451(14) Uani 1 1 d . .
C50 C 0.5280(4) 0.6900(5) 0.3927(5) 0.0621(17) Uani 1 1 d . .
H50A H 0.4816 0.7301 0.4135 0.075 Uiso 1 1 calc R U
C51 C 0.5381(4) 0.6696(5) 0.3016(5) 0.0683(18) Uani 1 1 d . .
H51A H 0.4988 0.6962 0.2607 0.082 Uiso 1 1 calc R U
C52 C 0.6075(4) 0.6083(4) 0.2661(4) 0.0442(13) Uani 1 1 d . .
C53 C 0.6181(4) 0.5836(4) 0.1710(4) 0.0544(15) Uani 1 1 d . .
H53A H 0.5784 0.6071 0.1273 0.065 Uiso 1 1 calc R U
C54 C 0.6866(4) 0.5248(4) 0.1424(4) 0.0479(14) Uani 1 1 d . .
H54A H 0.6941 0.5076 0.0789 0.057 Uiso 1 1 calc R U
C55 C 0.7446(4) 0.4914(4) 0.2083(3) 0.0378(12) Uani 1 1 d . .
H55A H 0.7922 0.4526 0.1880 0.045 Uiso 1 1 calc R U
C56 C 0.6688(3) 0.5696(4) 0.3296(4) 0.0343(12) Uani 1 1 d . .
C57 C 0.6567(3) 0.5897(4) 0.4269(3) 0.0330(11) 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'
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 O3 75.70(9) . .
O1 Dy1 O4 74.67(9) . 2_766
O3 Dy1 O4 137.49(8) . 2_766
O1 Dy1 O6 148.73(9) . .
O3 Dy1 O6 87.87(9) . .
O4 Dy1 O6 131.40(9) 2_766 .
O1 Dy1 O5 150.60(9) . .
O3 Dy1 O5 133.24(9) . .
O4 Dy1 O5 77.91(8) 2_766 .
O6 Dy1 O5 54.16(8) . .
O1 Dy1 O2 123.11(9) . 2_766
O3 Dy1 O2 76.90(10) . 2_766
O4 Dy1 O2 94.74(10) 2_766 2_766
O6 Dy1 O2 77.06(9) . 2_766
O5 Dy1 O2 69.34(10) . 2_766
O1 Dy1 N2 90.96(10) . .
O3 Dy1 N2 136.61(10) . .
O4 Dy1 N2 73.51(10) 2_766 .
O6 Dy1 N2 82.88(10) . .
O5 Dy1 N2 71.05(10) . .
O2 Dy1 N2 140.23(10) 2_766 .
O1 Dy1 O1 73.80(10) . 2_766
O3 Dy1 O1 70.96(9) . 2_766
O4 Dy1 O1 71.94(9) 2_766 2_766
O6 Dy1 O1 125.94(10) . 2_766
O5 Dy1 O1 107.49(9) . 2_766
O2 Dy1 O1 50.29(8) 2_766 2_766
N2 Dy1 O1 144.82(9) . 2_766
O1 Dy1 N1 76.37(9) . .
O3 Dy1 N1 73.58(11) . .
O4 Dy1 N1 126.58(11) 2_766 .
O6 Dy1 N1 73.51(9) . .
O5 Dy1 N1 112.98(10) . .
O2 Dy1 N1 138.61(10) 2_766 .
N2 Dy1 N1 63.12(11) . .
O1 Dy1 N1 138.06(10) 2_766 .
O1 Dy1 C45 165.89(11) . .
O3 Dy1 C45 111.05(11) . .
O4 Dy1 C45 104.95(10) 2_766 .
O6 Dy1 C45 26.86(9) . .
O5 Dy1 C45 27.31(9) . .
O2 Dy1 C45 70.97(11) 2_766 .
N2 Dy1 C45 75.62(12) . .
O1 Dy1 C45 119.82(11) 2_766 .
N1 Dy1 C45 93.38(11) . .
O1 Dy1 C15 99.10(11) . 2_766
O3 Dy1 C15 73.58(10) . 2_766
O4 Dy1 C15 81.79(10) 2_766 2_766
O6 Dy1 C15 101.51(11) . 2_766
O5 Dy1 C15 87.22(10) . 2_766
O2 Dy1 C15 24.81(8) 2_766 2_766
N2 Dy1 C15 149.81(11) . 2_766
O1 Dy1 C15 25.54(8) 2_766 2_766
N1 Dy1 C15 146.94(11) . 2_766
C45 Dy1 C15 94.76(11) . 2_766
O1 Dy1 Dy1 39.70(7) . 2_766
O3 Dy1 Dy1 68.83(6) . 2_766
O4 Dy1 Dy1 68.87(6) 2_766 2_766
O6 Dy1 Dy1 152.80(8) . 2_766
O5 Dy1 Dy1 135.11(6) . 2_766
O2 Dy1 Dy1 83.91(6) 2_766 2_766
N2 Dy1 Dy1 123.61(7) . 2_766
O1 Dy1 Dy1 34.10(6) 2_766 2_766
N1 Dy1 Dy1 110.93(7) . 2_766
C45 Dy1 Dy1 153.76(9) . 2_766
C15 Dy1 Dy1 59.48(7) 2_766 2_766
C15 O1 Dy1 159.3(3) . .
C15 O1 Dy1 92.8(2) . 2_766
Dy1 O1 Dy1 106.20(10) . 2_766
C15 O2 Dy1 96.2(3) . 2_766
C30 O3 Dy1 140.5(3) . .
C30 O4 Dy1 135.3(3) . 2_766
C45 O5 Dy1 91.4(2) . .
C45 O6 Dy1 93.1(2) . .
C46 N1 C57 116.5(4) . .
C46 N1 Dy1 124.0(3) . .
C57 N1 Dy1 119.4(3) . .
C55 N2 C56 117.6(4) . .
C55 N2 Dy1 121.3(3) . .
C56 N2 Dy1 120.9(3) . .
C2 C1 C14 121.7(4) . .
C2 C1 C15 118.7(4) . .
C14 C1 C15 119.6(4) . .
C1 C2 C3 123.8(4) . .
C1 C2 C7 118.4(4) . .
C3 C2 C7 117.8(4) . .
C4 C3 C2 122.1(5) . .
C4 C3 H3A 119.0 . .
C2 C3 H3A 119.0 . .
C3 C4 C5 119.7(5) . .
C3 C4 H4A 120.1 . .
C5 C4 H4A 120.1 . .
C6 C5 C4 121.6(5) . .
C6 C5 H5A 119.2 . .
C4 C5 H5A 119.2 . .
C5 C6 C7 120.3(5) . .
C5 C6 H6A 119.8 . .
C7 C6 H6A 119.8 . .
C8 C7 C2 119.7(4) . .
C8 C7 C6 121.8(5) . .
C2 C7 C6 118.4(5) . .
C7 C8 C9 122.8(5) . .
C7 C8 H8A 118.6 . .
C9 C8 H8A 118.6 . .
C8 C9 C10 123.0(5) . .
C8 C9 C14 117.7(4) . .
C10 C9 C14 119.3(4) . .
C11 C10 C9 121.3(5) . .
C11 C10 H10A 119.3 . .
C9 C10 H10A 119.3 . .
C10 C11 C12 119.8(5) . .
C10 C11 H11A 120.1 . .
C12 C11 H11A 120.1 . .
C13 C12 C11 120.8(5) . .
C13 C12 H12A 119.6 . .
C11 C12 H12A 119.6 . .
C12 C13 C14 121.7(5) . .
C12 C13 H13A 119.1 . .
C14 C13 H13A 119.1 . .
C1 C14 C13 123.3(4) . .
C1 C14 C9 119.7(4) . .
C13 C14 C9 117.0(4) . .
O2 C15 O1 120.4(4) . .
O2 C15 C1 121.1(4) . .
O1 C15 C1 118.5(3) . .
O2 C15 Dy1 59.0(2) . 2_766
O1 C15 Dy1 61.6(2) . 2_766
C1 C15 Dy1 173.4(3) . 2_766
C17 C16 C29 120.8(4) . .
C17 C16 C30 119.0(4) . .
C29 C16 C30 120.1(4) . .
C16 C17 C22 118.7(4) . .
C16 C17 C18 124.7(4) . .
C22 C17 C18 116.5(4) . .
C19 C18 C17 121.1(5) . .
C19 C18 H18A 119.4 . .
C17 C18 H18A 119.4 . .
C18 C19 C20 121.8(5) . .
C18 C19 H19A 119.1 . .
C20 C19 H19A 119.1 . .
C21 C20 C19 119.3(5) . .
C21 C20 H20A 120.4 . .
C19 C20 H20A 120.4 . .
C20 C21 C22 121.6(5) . .
C20 C21 H21A 119.2 . .
C22 C21 H21A 119.2 . .
C23 C22 C17 119.8(4) . .
C23 C22 C21 120.5(4) . .
C17 C22 C21 119.6(4) . .
C24 C23 C22 121.9(4) . .
C24 C23 H23A 119.1 . .
C22 C23 H23A 119.1 . .
C23 C24 C25 120.3(4) . .
C23 C24 C29 119.4(4) . .
C25 C24 C29 120.2(4) . .
C26 C25 C24 121.0(4) . .
C26 C25 H25A 119.5 . .
C24 C25 H25A 119.5 . .
C25 C26 C27 119.4(4) . .
C25 C26 H26A 120.3 . .
C27 C26 H26A 120.3 . .
C28 C27 C26 121.6(5) . .
C28 C27 H27A 119.2 . .
C26 C27 H27A 119.2 . .
C27 C28 C29 122.2(4) . .
C27 C28 H28A 118.9 . .
C29 C28 H28A 118.9 . .
C16 C29 C28 125.3(4) . .
C16 C29 C24 119.1(4) . .
C28 C29 C24 115.6(4) . .
O3 C30 O4 125.6(4) . .
O3 C30 C16 116.2(3) . .
O4 C30 C16 118.1(4) . .
C32 C31 C44 122.0(4) . .
C32 C31 C45 119.2(4) . .
C44 C31 C45 118.7(4) . .
C31 C32 C33 123.9(4) . .
C31 C32 C37 118.3(4) . .
C33 C32 C37 117.8(4) . .
C34 C33 C32 122.1(5) . .
C34 C33 H33A 119.0 . .
C32 C33 H33A 119.0 . .
C33 C34 C35 119.2(5) . .
C33 C34 H34A 120.4 . .
C35 C34 H34A 120.4 . .
C36 C35 C34 121.3(5) . .
C36 C35 H35A 119.3 . .
C34 C35 H35A 119.3 . .
C35 C36 C37 121.3(4) . .
C35 C36 H36A 119.3 . .
C37 C36 H36A 119.3 . .
C38 C37 C36 122.2(4) . .
C38 C37 C32 119.5(4) . .
C36 C37 C32 118.2(4) . .
C37 C38 C39 122.1(4) . .
C37 C38 H38A 118.9 . .
C39 C38 H38A 118.9 . .
C38 C39 C40 122.7(4) . .
C38 C39 C44 119.3(4) . .
C40 C39 C44 118.0(4) . .
C41 C40 C39 121.8(4) . .
C41 C40 H40A 119.1 . .
C39 C40 H40A 119.1 . .
C40 C41 C42 120.5(5) . .
C40 C41 H41A 119.8 . .
C42 C41 H41A 119.8 . .
C43 C42 C41 120.3(5) . .
C43 C42 H42A 119.8 . .
C41 C42 H42A 119.8 . .
C42 C43 C44 120.8(4) . .
C42 C43 H43A 119.6 . .
C44 C43 H43A 119.6 . .
C31 C44 C43 122.8(4) . .
C31 C44 C39 118.6(4) . .
C43 C44 C39 118.6(4) . .
O6 C45 O5 121.3(4) . .
O6 C45 C31 121.8(3) . .
O5 C45 C31 116.8(3) . .
O6 C45 Dy1 60.0(2) . .
O5 C45 Dy1 61.32(19) . .
C31 C45 Dy1 177.3(3) . .
N1 C46 C47 124.4(5) . .
N1 C46 H46A 117.8 . .
C47 C46 H46A 117.8 . .
C48 C47 C46 118.1(5) . .
C48 C47 H47A 121.0 . .
C46 C47 H47A 121.0 . .
C47 C48 C49 120.3(5) . .
C47 C48 H48A 119.8 . .
C49 C48 H48A 119.8 . .
C48 C49 C57 117.3(5) . .
C48 C49 C50 123.4(5) . .
C57 C49 C50 119.4(5) . .
C51 C50 C49 121.4(5) . .
C51 C50 H50A 119.3 . .
C49 C50 H50A 119.3 . .
C50 C51 C52 121.5(6) . .
C50 C51 H51A 119.2 . .
C52 C51 H51A 119.2 . .
C53 C52 C56 118.0(5) . .
C53 C52 C51 123.1(5) . .
C56 C52 C51 118.9(5) . .
C54 C53 C52 119.7(5) . .
C54 C53 H53A 120.1 . .
C52 C53 H53A 120.1 . .
C53 C54 C55 119.1(5) . .
C53 C54 H54A 120.5 . .
C55 C54 H54A 120.5 . .
N2 C55 C54 124.1(5) . .
N2 C55 H55A 118.0 . .
C54 C55 H55A 118.0 . .
N2 C56 C52 121.5(4) . .
N2 C56 C57 118.7(4) . .
C52 C56 C57 119.7(4) . .
N1 C57 C49 123.3(5) . .
N1 C57 C56 117.7(4) . .
C49 C57 C56 118.9(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O1 2.287(3) .
Dy1 O3 2.292(3) .
Dy1 O4 2.386(2) 2_766
Dy1 O6 2.395(2) .
Dy1 O5 2.423(3) .
Dy1 O2 2.550(3) 2_766
Dy1 N2 2.573(4) .
Dy1 O1 2.606(3) 2_766
Dy1 N1 2.630(3) .
Dy1 C45 2.761(4) .
Dy1 C15 2.958(4) 2_766
Dy1 Dy1 3.9176(4) 2_766
O1 C15 1.277(4) .
O1 Dy1 2.606(3) 2_766
O2 C15 1.249(4) .
O2 Dy1 2.550(3) 2_766
O3 C30 1.252(4) .
O4 C30 1.263(4) .
O4 Dy1 2.386(2) 2_766
O5 C45 1.267(4) .
O6 C45 1.249(4) .
N1 C46 1.320(5) .
N1 C57 1.357(5) .
N2 C55 1.334(5) .
N2 C56 1.359(5) .
C1 C2 1.395(5) .
C1 C14 1.407(6) .
C1 C15 1.509(6) .
C2 C3 1.410(6) .
C2 C7 1.430(6) .
C3 C4 1.358(6) .
C3 H3A 0.9300 .
C4 C5 1.396(7) .
C4 H4A 0.9300 .
C5 C6 1.343(7) .
C5 H5A 0.9300 .
C6 C7 1.438(6) .
C6 H6A 0.9300 .
C7 C8 1.379(6) .
C8 C9 1.400(6) .
C8 H8A 0.9300 .
C9 C10 1.416(6) .
C9 C14 1.429(6) .
C10 C11 1.347(6) .
C10 H10A 0.9300 .
C11 C12 1.409(6) .
C11 H11A 0.9300 .
C12 C13 1.345(6) .
C12 H12A 0.9300 .
C13 C14 1.426(5) .
C13 H13A 0.9300 .
C15 Dy1 2.958(4) 2_766
C16 C17 1.414(5) .
C16 C29 1.421(5) .
C16 C30 1.524(5) .
C17 C22 1.430(6) .
C17 C18 1.430(5) .
C18 C19 1.364(5) .
C18 H18A 0.9300 .
C19 C20 1.406(6) .
C19 H19A 0.9300 .
C20 C21 1.336(6) .
C20 H20A 0.9300 .
C21 C22 1.434(6) .
C21 H21A 0.9300 .
C22 C23 1.397(6) .
C23 C24 1.388(6) .
C23 H23A 0.9300 .
C24 C25 1.424(6) .
C24 C29 1.433(5) .
C25 C26 1.350(6) .
C25 H25A 0.9300 .
C26 C27 1.399(6) .
C26 H26A 0.9300 .
C27 C28 1.348(5) .
C27 H27A 0.9300 .
C28 C29 1.429(5) .
C28 H28A 0.9300 .
C31 C32 1.396(6) .
C31 C44 1.407(6) .
C31 C45 1.513(5) .
C32 C33 1.417(6) .
C32 C37 1.446(5) .
C33 C34 1.360(6) .
C33 H33A 0.9300 .
C34 C35 1.417(6) .
C34 H34A 0.9300 .
C35 C36 1.342(6) .
C35 H35A 0.9300 .
C36 C37 1.421(6) .
C36 H36A 0.9300 .
C37 C38 1.384(6) .
C38 C39 1.389(6) .
C38 H38A 0.9300 .
C39 C40 1.421(6) .
C39 C44 1.436(5) .
C40 C41 1.337(6) .
C40 H40A 0.9300 .
C41 C42 1.414(5) .
C41 H41A 0.9300 .
C42 C43 1.363(6) .
C42 H42A 0.9300 .
C43 C44 1.417(6) .
C43 H43A 0.9300 .
C46 C47 1.401(6) .
C46 H46A 0.9300 .
C47 C48 1.363(7) .
C47 H47A 0.9300 .
C48 C49 1.383(7) .
C48 H48A 0.9300 .
C49 C57 1.411(6) .
C49 C50 1.429(7) .
C50 C51 1.338(7) .
C50 H50A 0.9300 .
C51 C52 1.422(6) .
C51 H51A 0.9300 .
C52 C53 1.391(7) .
C52 C56 1.418(6) .
C53 C54 1.361(6) .
C53 H53A 0.9300 .
C54 C55 1.372(6) .
C54 H54A 0.9300 .
C55 H55A 0.9300 .
C56 C57 1.440(6) .
