#------------------------------------------------------------------------------
#$Date: 2019-11-19 10:09:03 +0200 (Tue, 19 Nov 2019) $
#$Revision: 231032 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/51/7235174.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_7235174
loop_
_publ_author_name
'Sheng Zhang'
'Haipeng Wu'
'Lin Sun'
'Hongshan Ke'
'Sanping Chen'
'Bing Yin'
'Qing Wei'
'Desuo Yang'
'Shengli Gao'
_publ_section_title
;
 Ligand field fine-tuning on the modulation of the magnetic properties and
 relaxation dynamics of dysprosium(iii) single-ion magnets (SIMs):
 synthesis, structure, magnetism and ab initio calculations
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              1369
_journal_page_last               1382
_journal_paper_doi               10.1039/C6TC05188J
_journal_volume                  5
_journal_year                    2017
_chemical_formula_sum            'C41.33 H25.67 Dy F12 N2 O6.33'
_chemical_formula_weight         1042.14
_space_group_IT_number           147
_space_group_name_Hall           '-P 3'
_space_group_name_H-M_alt        'P -3'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'P -3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   26.791(4)
_cell_length_b                   26.791(4)
_cell_length_c                   10.119(2)
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.10
_cell_measurement_theta_min      1.96
_cell_volume                     6289.9(18)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.926
_diffrn_measured_fraction_theta_max 0.926
_diffrn_measurement_device_type  'Bruker APEX SMART II'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1662
_diffrn_reflns_av_sigmaI/netI    0.1531
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            26418
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         0.88
_exptl_absorpt_coefficient_mu    1.884
_exptl_absorpt_correction_T_max  0.9019
_exptl_absorpt_correction_T_min  0.7973
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.651
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3074
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.438
_refine_diff_density_min         -0.454
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     679
_refine_ls_number_reflns         6843
_refine_ls_number_restraints     534
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.1382
_refine_ls_R_factor_gt           0.0652
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1243
_refine_ls_wR_factor_ref         0.1415
_reflns_number_gt                3155
_reflns_number_total             6843
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            J-Mater-Chem-C-2017-5-1369.cif
_cod_data_source_block           x
_cod_original_cell_volume        6289.8(19)
_cod_original_sg_symbol_H-M      p-3
_cod_database_code               7235174
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.36659(2) 0.29302(2) 0.47051(5) 0.0685(2) Uani 1 1 d . . .
O1 O 0.4090(3) 0.3531(3) 0.2940(7) 0.081(2) Uani 1 1 d . . .
O2 O 0.4475(3) 0.3730(3) 0.5501(6) 0.0758(19) Uani 1 1 d . . .
O3 O 0.3884(3) 0.2637(3) 0.6679(6) 0.082(2) Uani 1 1 d . . .
O4 O 0.4311(3) 0.2631(3) 0.4209(7) 0.084(2) Uani 1 1 d . . .
O5 O 0.3218(3) 0.2234(4) 0.2997(7) 0.092(2) Uani 1 1 d . . .
O6 O 0.2791(3) 0.2166(3) 0.5468(7) 0.081(2) Uani 1 1 d . . .
N1 N 0.2914(3) 0.3170(3) 0.3834(9) 0.067(2) Uani 1 1 d . . .
N2 N 0.3279(4) 0.3368(4) 0.6338(9) 0.075(2) Uani 1 1 d . . .
C1 C 0.4712(4) 0.4161(5) 0.1383(11) 0.126(5) Uani 1 1 d D . .
C2 C 0.4567(6) 0.3961(6) 0.2805(11) 0.085(3) Uani 1 1 d . A .
C3 C 0.4998(5) 0.4289(5) 0.3708(12) 0.094(4) Uani 1 1 d . . .
H3 H 0.5335 0.4607 0.3412 0.112 Uiso 1 1 calc R A .
C4 C 0.4936(5) 0.4151(5) 0.5052(10) 0.071(3) Uani 1 1 d . A .
C5 C 0.5407(5) 0.4495(5) 0.6012(12) 0.079(3) Uani 1 1 d . . .
C6 C 0.5899(6) 0.5026(5) 0.5711(13) 0.108(4) Uani 1 1 d . A .
H6 H 0.5945 0.5196 0.4884 0.129 Uiso 1 1 calc R . .
C7 C 0.6316(6) 0.5289(6) 0.6685(18) 0.121(5) Uani 1 1 d . . .
H7 H 0.6651 0.5629 0.6467 0.145 Uiso 1 1 calc R A .
C8 C 0.6270(6) 0.5096(8) 0.7864(17) 0.121(5) Uani 1 1 d . A .
C9 C 0.5830(7) 0.4577(8) 0.8181(13) 0.132(5) Uani 1 1 d . . .
H9 H 0.5817 0.4417 0.9005 0.159 Uiso 1 1 calc R A .
C10 C 0.5390(5) 0.4278(6) 0.7269(13) 0.105(4) Uani 1 1 d . A .
H10 H 0.5078 0.3924 0.7506 0.127 Uiso 1 1 calc R . .
C11 C 0.4364(4) 0.2529(4) 0.8461(11) 0.111(4) Uani 1 1 d DU . .
C12 C 0.4315(5) 0.2584(5) 0.6988(12) 0.080(3) Uani 1 1 d . B .
C13 C 0.4694(6) 0.2537(6) 0.6181(13) 0.096(4) Uani 1 1 d . . .
H13 H 0.4986 0.2495 0.6568 0.115 Uiso 1 1 calc R B .
C14 C 0.4671(4) 0.2548(5) 0.4810(14) 0.079(3) Uani 1 1 d . B .
C15 C 0.5053(4) 0.2458(5) 0.3942(12) 0.076(3) Uani 1 1 d . . .
C16 C 0.5034(6) 0.2496(6) 0.2562(14) 0.109(4) Uani 1 1 d . B .
H16 H 0.4781 0.2604 0.2207 0.131 Uiso 1 1 calc R . .
C17 C 0.5358(7) 0.2387(8) 0.1714(14) 0.140(6) Uani 1 1 d . . .
H17 H 0.5311 0.2392 0.0804 0.168 Uiso 1 1 calc R B .
C18 C 0.5761(7) 0.2270(7) 0.2244(15) 0.125(5) Uani 1 1 d U B .
C19 C 0.5808(6) 0.2206(7) 0.3532(14) 0.121(5) Uani 1 1 d U . .
H19 H 0.6065 0.2097 0.3850 0.145 Uiso 1 1 calc R B .
C20 C 0.5458(6) 0.2307(7) 0.4408(13) 0.126(5) Uani 1 1 d . B .
H20 H 0.5494 0.2275 0.5313 0.151 Uiso 1 1 calc R . .
C21 C 0.2588(4) 0.1606(5) 0.1403(11) 0.119(4) Uani 1 1 d DU . .
C22 C 0.2733(6) 0.1824(6) 0.2774(14) 0.095(4) Uani 1 1 d . C .
C23 C 0.2299(5) 0.1545(6) 0.3667(13) 0.105(4) Uani 1 1 d . . .
H23 H 0.1954 0.1237 0.3370 0.126 Uiso 1 1 calc R C .
C24 C 0.2343(5) 0.1694(5) 0.5009(14) 0.087(3) Uani 1 1 d . C .
C25 C 0.1895(5) 0.1347(5) 0.5978(12) 0.094(4) Uani 1 1 d D . .
C26 C 0.1484(6) 0.0783(5) 0.5763(15) 0.147(6) Uani 1 1 d D C .
H26 H 0.1488 0.0621 0.4954 0.177 Uiso 1 1 calc R . .
C27 C 0.1072(7) 0.0445(6) 0.6643(16) 0.157(7) Uani 1 1 d DU . .
H27 H 0.0798 0.0064 0.6463 0.188 Uiso 1 1 calc R C .
C28 C 0.1088(8) 0.0703(7) 0.7805(17) 0.168(8) Uani 1 1 d DU C .
C29 C 0.1472(7) 0.1266(7) 0.8118(14) 0.140(5) Uani 1 1 d DU . .
H29 H 0.1465 0.1422 0.8934 0.168 Uiso 1 1 calc R C .
C30 C 0.1869(5) 0.1588(6) 0.7155(13) 0.117(4) Uani 1 1 d D C .
H30 H 0.2125 0.1976 0.7308 0.141 Uiso 1 1 calc R . .
C31 C 0.2740(5) 0.3044(5) 0.2567(12) 0.088(3) Uani 1 1 d . . .
H31 H 0.2964 0.2971 0.1983 0.105 Uiso 1 1 calc R . .
C32 C 0.2258(5) 0.3019(6) 0.2115(13) 0.100(4) Uani 1 1 d . . .
H32 H 0.2159 0.2936 0.1228 0.120 Uiso 1 1 calc R . .
C33 C 0.1912(6) 0.3114(6) 0.2940(14) 0.105(4) Uani 1 1 d . . .
H33 H 0.1575 0.3099 0.2655 0.126 Uiso 1 1 calc R . .
C34 C 0.2105(5) 0.3236(5) 0.4257(14) 0.090(3) Uani 1 1 d . . .
H34 H 0.1886 0.3304 0.4867 0.108 Uiso 1 1 calc R . .
C35 C 0.2589(5) 0.3258(4) 0.4662(11) 0.064(3) Uani 1 1 d . . .
C36 C 0.2803(5) 0.3421(4) 0.6006(13) 0.080(3) Uani 1 1 d . . .
C37 C 0.2586(6) 0.3630(6) 0.6933(14) 0.108(4) Uani 1 1 d . . .
H37 H 0.2268 0.3661 0.6697 0.130 Uiso 1 1 calc R . .
C38 C 0.2793(8) 0.3792(7) 0.8148(16) 0.129(5) Uani 1 1 d . . .
H38 H 0.2630 0.3936 0.8736 0.155 Uiso 1 1 calc R . .
C39 C 0.3258(8) 0.3736(7) 0.8495(15) 0.138(6) Uani 1 1 d U . .
H39 H 0.3418 0.3831 0.9337 0.166 Uiso 1 1 calc R . .
C40 C 0.3482(5) 0.3527(5) 0.7505(13) 0.094(4) Uani 1 1 d U . .
H40 H 0.3806 0.3503 0.7724 0.113 Uiso 1 1 calc R . .
F1 F 0.4702(13) 0.3779(8) 0.055(2) 0.184(9) Uani 0.58(3) 1 d PDU A 1
F2 F 0.5237(7) 0.4631(8) 0.124(2) 0.174(8) Uani 0.58(3) 1 d PDU A 1
F3 F 0.4348(9) 0.4314(13) 0.091(2) 0.150(7) Uani 0.58(3) 1 d PDU A 1
F1B F 0.4996(13) 0.3910(12) 0.090(2) 0.124(7) Uani 0.42(3) 1 d PDU A 2
F2B F 0.5042(12) 0.4718(5) 0.111(3) 0.150(8) Uani 0.42(3) 1 d PDU A 2
F3B F 0.4252(7) 0.3975(15) 0.061(2) 0.147(9) Uani 0.42(3) 1 d PDU A 2
F4 F 0.6663(4) 0.5376(4) 0.8764(9) 0.183(4) Uani 1 1 d . . .
F5 F 0.4310(10) 0.2936(7) 0.9061(14) 0.132(5) Uani 0.581(19) 1 d PDU B 1
F6 F 0.4877(5) 0.2607(10) 0.8867(17) 0.152(7) Uani 0.581(19) 1 d PDU B 1
F7 F 0.3980(7) 0.2034(5) 0.8991(15) 0.128(6) Uani 0.581(19) 1 d PDU B 1
F5B F 0.3947(9) 0.2561(14) 0.911(2) 0.151(6) Uani 0.419(19) 1 d PDU B 2
F6B F 0.4853(7) 0.2946(9) 0.895(2) 0.128(7) Uani 0.419(19) 1 d PDU B 2
F7B F 0.4319(13) 0.2038(7) 0.884(2) 0.143(6) Uani 0.419(19) 1 d PDU B 2
F8 F 0.6104(4) 0.2161(5) 0.1438(9) 0.180(4) Uani 1 1 d . . .
F9 F 0.2588(10) 0.2004(7) 0.0599(17) 0.151(6) Uani 0.59(2) 1 d PDU C 1
F10 F 0.3031(7) 0.1550(10) 0.0919(14) 0.141(6) Uani 0.59(2) 1 d PDU C 1
F11 F 0.2121(7) 0.1118(7) 0.1083(19) 0.184(8) Uani 0.59(2) 1 d PDU C 1
F9B F 0.2850(11) 0.1971(10) 0.044(2) 0.145(9) Uani 0.41(2) 1 d PDU C 2
F10B F 0.2645(16) 0.1148(11) 0.118(2) 0.167(8) Uani 0.41(2) 1 d PDU C 2
F11B F 0.2016(5) 0.1398(13) 0.117(2) 0.160(9) Uani 0.41(2) 1 d PDU C 2
F12 F 0.0729(6) 0.0379(6) 0.8806(13) 0.271(7) Uani 1 1 d . . .
O7 O 0.6118(13) 0.289(2) 0.795(4) 0.256(17) Uani 0.33 1 d PDU D -1
C41 C 0.649(2) 0.282(2) 0.721(5) 0.245(18) Uani 0.33 1 d PDU D -1
H41A H 0.6312 0.2643 0.6367 0.294 Uiso 0.33 1 calc PR D -1
H41B H 0.6614 0.2584 0.7651 0.294 Uiso 0.33 1 calc PR D -1
C42 C 0.6992(19) 0.344(2) 0.700(4) 0.250(18) Uani 0.33 1 d PDU D -1
H42A H 0.6902 0.3658 0.6368 0.300 Uiso 0.33 1 calc PR D -1
H42B H 0.7347 0.3453 0.6754 0.300 Uiso 0.33 1 calc PR D -1
C43 C 0.7005(17) 0.365(3) 0.844(5) 0.258(18) Uani 0.33 1 d PDU D -1
H43A H 0.7217 0.4062 0.8527 0.310 Uiso 0.33 1 calc PR D -1
H43B H 0.7156 0.3476 0.9059 0.310 Uiso 0.33 1 calc PR D -1
C44 C 0.6345(19) 0.339(3) 0.859(5) 0.245(17) Uani 0.33 1 d PDU D -1
H44A H 0.6233 0.3332 0.9518 0.294 Uiso 0.33 1 calc PR D -1
H44B H 0.6224 0.3644 0.8202 0.294 Uiso 0.33 1 calc PR D -1
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'
F F 0.0171 0.0103 '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 O4 83.1(3) . .
O1 Dy1 O2 73.3(3) . .
O4 Dy1 O2 83.0(3) . .
O1 Dy1 O3 142.0(3) . .
O4 Dy1 O3 73.1(3) . .
O2 Dy1 O3 74.7(2) . .
O1 Dy1 O6 143.1(3) . .
O4 Dy1 O6 111.4(3) . .
O2 Dy1 O6 139.8(2) . .
O3 Dy1 O6 74.4(2) . .
O1 Dy1 O5 82.1(3) . .
O4 Dy1 O5 75.0(2) . .
O2 Dy1 O5 148.8(3) . .
O3 Dy1 O5 118.2(3) . .
O6 Dy1 O5 70.2(3) . .
O1 Dy1 N2 111.0(3) . .
O4 Dy1 N2 149.3(3) . .
O2 Dy1 N2 75.7(3) . .
O3 Dy1 N2 80.0(3) . .
O6 Dy1 N2 74.2(3) . .
O5 Dy1 N2 132.4(3) . .
O1 Dy1 N1 74.4(3) . .
O4 Dy1 N1 146.9(3) . .
O2 Dy1 N1 112.3(2) . .
O3 Dy1 N1 138.0(3) . .
O6 Dy1 N1 76.4(3) . .
O5 Dy1 N1 78.2(3) . .
N2 Dy1 N1 63.4(3) . .
C2 O1 Dy1 131.6(7) . .
C4 O2 Dy1 138.4(7) . .
C12 O3 Dy1 130.2(7) . .
C14 O4 Dy1 137.6(8) . .
C22 O5 Dy1 136.5(8) . .
C24 O6 Dy1 139.1(7) . .
C35 N1 C31 118.3(9) . .
C35 N1 Dy1 120.1(7) . .
C31 N1 Dy1 118.8(7) . .
C40 N2 C36 116.5(10) . .
C40 N2 Dy1 123.5(7) . .
C36 N2 Dy1 119.9(7) . .
F1 C1 F3 106.0(9) . .
F1 C1 F2B 119(2) . .
F3 C1 F2B 75.9(12) . .
F1 C1 F3B 71.1(11) . .
F3 C1 F3B 38.1(11) . .
F2B C1 F3B 105.7(8) . .
F1 C1 F1B 33.7(10) . .
F3 C1 F1B 135.8(16) . .
F2B C1 F1B 105.3(8) . .
F3B C1 F1B 104.5(8) . .
F1 C1 F2 105.1(9) . .
F3 C1 F2 104.9(9) . .
F2B C1 F2 29.5(13) . .
F3B C1 F2 128.6(16) . .
F1B C1 F2 80.7(15) . .
F1 C1 C2 115.6(13) . .
F3 C1 C2 110.9(12) . .
F2B C1 C2 120.1(16) . .
F3B C1 C2 113.6(14) . .
F1B C1 C2 106.2(14) . .
F2 C1 C2 113.5(13) . .
O1 C2 C3 131.8(11) . .
O1 C2 C1 113.6(11) . .
C3 C2 C1 114.6(12) . .
C2 C3 C4 121.5(10) . .
O2 C4 C3 121.1(10) . .
O2 C4 C5 117.6(9) . .
C3 C4 C5 121.3(10) . .
C10 C5 C6 116.0(12) . .
C10 C5 C4 119.9(10) . .
C6 C5 C4 124.0(12) . .
C7 C6 C5 117.9(12) . .
C8 C7 C6 124.5(13) . .
C7 C8 F4 122.0(17) . .
C7 C8 C9 120.0(13) . .
F4 C8 C9 117.9(17) . .
C8 C9 C10 119.4(14) . .
C5 C10 C9 121.7(13) . .
F7B C11 F6B 106.9(9) . .
F7B C11 F5 134.1(15) . .
F6B C11 F5 66.4(10) . .
F7B C11 F7 40.6(10) . .
F6B C11 F7 130.0(16) . .
F5 C11 F7 106.9(9) . .
F7B C11 F5B 104.9(9) . .
F6B C11 F5B 105.5(9) . .
F5 C11 F5B 43.8(9) . .
F7 C11 F5B 66.9(10) . .
F7B C11 F6 69.1(10) . .
F6B C11 F6 41.5(10) . .
F5 C11 F6 104.8(9) . .
F7 C11 F6 104.7(8) . .
F5B C11 F6 131.4(15) . .
F7B C11 C12 114.7(14) . .
F6B C11 C12 112.7(13) . .
F5 C11 C12 108.9(11) . .
F7 C11 C12 115.9(11) . .
F5B C11 C12 111.3(13) . .
F6 C11 C12 114.7(11) . .
O3 C12 C13 128.7(11) . .
O3 C12 C11 112.5(11) . .
C13 C12 C11 118.7(11) . .
C12 C13 C14 123.8(11) . .
O4 C14 C13 122.4(11) . .
O4 C14 C15 113.9(11) . .
C13 C14 C15 123.7(11) . .
C20 C15 C16 114.6(12) . .
C20 C15 C14 123.3(12) . .
C16 C15 C14 122.1(11) . .
C17 C16 C15 124.3(12) . .
C16 C17 C18 117.6(14) . .
C19 C18 F8 116.3(15) . .
C19 C18 C17 123.2(14) . .
F8 C18 C17 120.3(14) . .
C18 C19 C20 118.5(13) . .
C19 C20 C15 121.6(12) . .
F9B C21 F10B 107.2(9) . .
F9B C21 F11 116(2) . .
F10B C21 F11 62.2(10) . .
F9B C21 F9 33.6(11) . .
F10B C21 F9 132.6(16) . .
F11 C21 F9 105.2(9) . .
F9B C21 F11B 104.4(9) . .
F10B C21 F11B 102.6(9) . .
F11 C21 F11B 40.4(10) . .
F9 C21 F11B 76.9(13) . .
F9B C21 F10 69.1(11) . .
F10B C21 F10 47.7(11) . .
F11 C21 F10 104.4(8) . .
F9 C21 F10 102.5(8) . .
F11B C21 F10 139.2(13) . .
F9B C21 C22 117.9(16) . .
F10B C21 C22 113.3(13) . .
F11 C21 C22 123.5(13) . .
F9 C21 C22 111.0(13) . .
F11B C21 C22 110.1(14) . .
F10 C21 C22 108.1(10) . .
O5 C22 C23 126.7(12) . .
O5 C22 C21 118.4(12) . .
C23 C22 C21 115.0(11) . .
C22 C23 C24 123.9(12) . .
O6 C24 C23 121.4(11) . .
O6 C24 C25 116.0(11) . .
C23 C24 C25 122.7(12) . .
C26 C25 C30 117.0(12) . .
C26 C25 C24 123.1(11) . .
C30 C25 C24 119.9(12) . .
C27 C26 C25 124.8(14) . .
C28 C27 C26 115.0(16) . .
C27 C28 C29 125.3(17) . .
C27 C28 F12 119.1(15) . .
C29 C28 F12 115.4(14) . .
C28 C29 C30 116.3(15) . .
C25 C30 C29 121.5(13) . .
C32 C31 N1 122.8(11) . .
C31 C32 C33 120.6(13) . .
C32 C33 C34 114.8(12) . .
C35 C34 C33 122.5(12) . .
N1 C35 C34 120.9(11) . .
N1 C35 C36 116.9(10) . .
C34 C35 C36 122.0(11) . .
C37 C36 N2 118.4(12) . .
C37 C36 C35 125.6(12) . .
N2 C36 C35 116.0(10) . .
C38 C37 C36 125.2(13) . .
C37 C38 C39 117.1(14) . .
C38 C39 C40 116.6(14) . .
N2 C40 C39 126.1(12) . .
C44 O7 C41 115.0(11) . .
O7 C41 C42 103.5(13) . .
C41 C42 C43 96.1(12) . .
C42 C43 C44 96.7(12) . .
O7 C44 C43 104.1(13) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O1 2.290(7) .
Dy1 O4 2.295(7) .
Dy1 O2 2.301(7) .
Dy1 O3 2.326(7) .
Dy1 O6 2.341(7) .
Dy1 O5 2.381(8) .
Dy1 N2 2.529(9) .
Dy1 N1 2.558(8) .
O1 C2 1.228(14) .
O2 C4 1.268(11) .
O3 C12 1.270(12) .
O4 C14 1.250(12) .
O5 C22 1.232(12) .
O6 C24 1.318(13) .
N1 C35 1.312(12) .
N1 C31 1.348(14) .
N2 C40 1.280(13) .
N2 C36 1.394(13) .
C1 F1 1.319(9) .
C1 F3 1.323(9) .
C1 F2B 1.328(7) .
C1 F3B 1.328(7) .
C1 F1B 1.335(7) .
C1 F2 1.348(9) .
C1 C2 1.516(15) .
C2 C3 1.388(15) .
C3 C4 1.397(13) .
C4 C5 1.490(14) .
C5 C10 1.389(15) .
C5 C6 1.409(14) .
C6 C7 1.388(17) .
C7 C8 1.281(18) .
C8 F4 1.309(14) .
C8 C9 1.34(2) .
C9 C10 1.392(16) .
C11 F7B 1.318(9) .
C11 F6B 1.322(9) .
C11 F5 1.316(9) .
C11 F7 1.320(9) .
C11 F5B 1.337(9) .
C11 F6 1.346(9) .
C11 C12 1.510(14) .
C12 C13 1.356(15) .
C13 C14 1.390(16) .
C14 C15 1.459(15) .
C15 C20 1.412(16) .
C15 C16 1.403(15) .
C16 C17 1.354(16) .
C17 C18 1.375(19) .
C18 C19 1.328(17) .
C18 F8 1.365(15) .
C19 C20 1.411(17) .
C21 F9B 1.310(10) .
C21 F10B 1.330(9) .
C21 F11 1.320(9) .
C21 F9 1.342(9) .
C21 F11B 1.363(9) .
C21 F10 1.360(9) .
C21 C22 1.480(15) .
C22 C23 1.362(15) .
C23 C24 1.404(15) .
C24 C25 1.466(16) .
C25 C26 1.371(9) .
C25 C30 1.373(9) .
C26 C27 1.353(9) .
C27 C28 1.354(9) .
C28 C29 1.371(9) .
C28 F12 1.368(18) .
C29 C30 1.382(9) .
C31 C32 1.339(15) .
C32 C33 1.363(16) .
C33 C34 1.407(16) .
C34 C35 1.333(14) .
C35 C36 1.455(15) .
C36 C37 1.362(15) .
C37 C38 1.329(17) .
C38 C39 1.370(18) .
C39 C40 1.419(17) .
O7 C44 1.329(10) .
O7 C41 1.330(10) .
C41 C42 1.551(10) .
C42 C43 1.551(10) .
C43 C44 1.552(10) .
