#------------------------------------------------------------------------------
#$Date: 2019-09-26 12:22:15 +0300 (Thu, 26 Sep 2019) $
#$Revision: 218874 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/41/7234196.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_7234196
loop_
_publ_author_name
'Yanping Dong'
'Pengfei Yan'
'Xiaoyan Zou'
'Tianqi Liu'
'Guangming Li'
_publ_section_title
;
 Exploiting single-molecule magnets of beta-diketone dysprosium complexes
 with C3v symmetry: suppression of quantum tunneling of magnetization
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              4407
_journal_page_last               4415
_journal_paper_doi               10.1039/C5TC00321K
_journal_volume                  3
_journal_year                    2015
_chemical_formula_moiety         'C42 H33 Dy F9 N3 O7, C H2 Cl2'
_chemical_formula_sum            'C43 H35 Cl2 Dy F9 N3 O7'
_chemical_formula_weight         1110.14
_chemical_name_systematic        'EIFD Dy H2O'
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                101.396(3)
_cell_angle_beta                 102.641(3)
_cell_angle_gamma                109.004(3)
_cell_formula_units_Z            2
_cell_length_a                   12.8051(4)
_cell_length_b                   13.0203(4)
_cell_length_c                   15.2674(6)
_cell_measurement_temperature    293(2)
_cell_volume                     2246.47(15)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0414
_diffrn_reflns_av_sigmaI/netI    0.0697
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15157
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.22
_exptl_absorpt_coefficient_mu    1.872
_exptl_absorpt_correction_T_max  0.688
_exptl_absorpt_correction_T_min  0.633
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs(Sheldrick,1996)
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.641
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1102
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: '
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.613
_refine_diff_density_min         -0.993
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.980
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     589
_refine_ls_number_reflns         7914
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0526
_refine_ls_R_factor_gt           0.0391
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0443P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0837
_refine_ls_wR_factor_ref         0.0874
_reflns_number_gt                6549
_reflns_number_total             7914
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            J-Mater-Chem-C-2015-3-4407.cif
_cod_data_source_block           dy-1
_cod_original_cell_volume        2246.47(13)
_cod_database_code               7234196
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.8521(5) 0.2918(5) 0.1758(5) 0.0367(14) Uani 1 1 d . . .
C2 C 0.8369(4) 0.3994(4) 0.1636(4) 0.0268(12) Uani 1 1 d . . .
C3 C 0.9177(4) 0.4746(4) 0.1390(4) 0.0256(12) Uani 1 1 d . . .
H3 H 0.9772 0.4551 0.1252 0.031 Uiso 1 1 calc R . .
C4 C 0.9169(4) 0.5828(4) 0.1330(4) 0.0219(11) Uani 1 1 d . . .
C5 C 1.0119(4) 0.6615(4) 0.1133(4) 0.0225(11) Uani 1 1 d . . .
C6 C 1.0285(4) 0.7749(4) 0.1080(4) 0.0212(11) Uani 1 1 d . . .
C7 C 0.9628(4) 0.8422(4) 0.1138(4) 0.0251(11) Uani 1 1 d . . .
H7 H 0.8908 0.8144 0.1234 0.030 Uiso 1 1 calc R . .
C8 C 1.0063(5) 0.9493(4) 0.1053(4) 0.0308(12) Uani 1 1 d . . .
H8 H 0.9625 0.9939 0.1083 0.037 Uiso 1 1 calc R . .
C9 C 1.1159(5) 0.9939(4) 0.0920(4) 0.0356(13) Uani 1 1 d . . .
H9 H 1.1439 1.0677 0.0879 0.043 Uiso 1 1 calc R . .
C10 C 1.1819(4) 0.9294(4) 0.0851(4) 0.0317(13) Uani 1 1 d . . .
H10 H 1.2538 0.9578 0.0754 0.038 Uiso 1 1 calc R . .
C11 C 1.1369(4) 0.8201(4) 0.0931(4) 0.0246(11) Uani 1 1 d . . .
C12 C 1.1104(4) 0.6451(4) 0.1012(4) 0.0289(12) Uani 1 1 d . . .
H12 H 1.1237 0.5791 0.1017 0.035 Uiso 1 1 calc R . .
C13 C 1.3020(4) 0.7541(5) 0.0857(4) 0.0375(14) Uani 1 1 d . . .
H13A H 1.3272 0.8106 0.0537 0.045 Uiso 1 1 calc R . .
H13B H 1.3024 0.6835 0.0508 0.045 Uiso 1 1 calc R . .
C14 C 1.3845(5) 0.7924(6) 0.1835(5) 0.0523(18) Uani 1 1 d . . .
H14A H 1.3828 0.8615 0.2184 0.078 Uiso 1 1 calc R . .
H14B H 1.4617 0.8054 0.1804 0.078 Uiso 1 1 calc R . .
H14C H 1.3616 0.7348 0.2141 0.078 Uiso 1 1 calc R . .
C15 C 0.2663(4) 0.3953(4) 0.1417(4) 0.0265(12) Uani 1 1 d . . .
C16 C 0.3936(4) 0.4242(4) 0.1886(4) 0.0209(11) Uani 1 1 d . . .
C17 C 0.4221(4) 0.4022(4) 0.2712(4) 0.0282(12) Uani 1 1 d . . .
H17 H 0.3626 0.3697 0.2951 0.034 Uiso 1 1 calc R . .
C18 C 0.5392(4) 0.4259(4) 0.3247(4) 0.0249(12) Uani 1 1 d . . .
C19 C 0.5628(4) 0.3991(4) 0.4125(4) 0.0244(11) Uani 1 1 d . . .
C20 C 0.6730(4) 0.4054(4) 0.4680(4) 0.0254(12) Uani 1 1 d . . .
C21 C 0.7822(4) 0.4251(4) 0.4544(4) 0.0345(14) Uani 1 1 d . . .
H21 H 0.7967 0.4434 0.4011 0.041 Uiso 1 1 calc R . .
C22 C 0.8673(5) 0.4166(5) 0.5226(5) 0.0423(16) Uani 1 1 d . . .
H22 H 0.9393 0.4274 0.5138 0.051 Uiso 1 1 calc R . .
C23 C 0.8486(5) 0.3922(5) 0.6041(5) 0.0422(16) Uani 1 1 d . . .
H23 H 0.9091 0.3901 0.6493 0.051 Uiso 1 1 calc R . .
C24 C 0.7414(4) 0.3710(4) 0.6189(4) 0.0326(13) Uani 1 1 d . . .
H24 H 0.7282 0.3549 0.6731 0.039 Uiso 1 1 calc R . .
C25 C 0.6547(4) 0.3751(4) 0.5482(4) 0.0253(12) Uani 1 1 d . . .
C26 C 0.4851(4) 0.3639(4) 0.4610(4) 0.0265(12) Uani 1 1 d . . .
H26 H 0.4066 0.3508 0.4406 0.032 Uiso 1 1 calc R . .
C27 C 0.4812(5) 0.2985(4) 0.6035(4) 0.0336(13) Uani 1 1 d . . .
H27A H 0.4084 0.3087 0.5972 0.040 Uiso 1 1 calc R . .
H27B H 0.5296 0.3356 0.6682 0.040 Uiso 1 1 calc R . .
C28 C 0.4577(5) 0.1728(4) 0.5796(5) 0.0390(15) Uani 1 1 d . . .
H28A H 0.4082 0.1357 0.5161 0.058 Uiso 1 1 calc R . .
H28B H 0.4204 0.1404 0.6214 0.058 Uiso 1 1 calc R . .
H28C H 0.5297 0.1626 0.5862 0.058 Uiso 1 1 calc R . .
C29 C 0.6474(5) 0.8493(4) 0.0759(4) 0.0312(13) Uani 1 1 d . . .
C30 C 0.6727(4) 0.7883(4) 0.1484(4) 0.0234(11) Uani 1 1 d . . .
C31 C 0.7384(4) 0.8509(4) 0.2375(4) 0.0234(11) Uani 1 1 d . . .
H31 H 0.7670 0.9296 0.2515 0.028 Uiso 1 1 calc R . .
C32 C 0.7662(4) 0.8020(4) 0.3113(4) 0.0226(11) Uani 1 1 d . . .
C33 C 0.8185(4) 0.8691(4) 0.4078(4) 0.0245(11) Uani 1 1 d . . .
C34 C 0.8436(4) 0.8283(4) 0.4881(4) 0.0272(12) Uani 1 1 d . . .
C35 C 0.8365(5) 0.7230(5) 0.5011(4) 0.0368(14) Uani 1 1 d . . .
H35 H 0.8119 0.6594 0.4498 0.044 Uiso 1 1 calc R . .
C36 C 0.8666(6) 0.7151(5) 0.5912(5) 0.0488(17) Uani 1 1 d . . .
H36 H 0.8617 0.6452 0.6000 0.059 Uiso 1 1 calc R . .
C37 C 0.9035(6) 0.8078(5) 0.6687(5) 0.0532(18) Uani 1 1 d . . .
H37 H 0.9230 0.7994 0.7284 0.064 Uiso 1 1 calc R . .
C38 C 0.9120(5) 0.9133(5) 0.6587(4) 0.0456(16) Uani 1 1 d . . .
H38 H 0.9378 0.9765 0.7106 0.055 Uiso 1 1 calc R . .
C39 C 0.8806(4) 0.9210(4) 0.5683(4) 0.0313(13) Uani 1 1 d . . .
C40 C 0.8429(4) 0.9841(4) 0.4443(4) 0.0276(12) Uani 1 1 d . . .
H40 H 0.8347 1.0324 0.4082 0.033 Uiso 1 1 calc R . .
C41 C 0.9024(5) 1.1266(4) 0.6023(4) 0.0387(14) Uani 1 1 d . . .
H41A H 0.9133 1.1830 0.5684 0.046 Uiso 1 1 calc R . .
H41B H 0.9729 1.1498 0.6536 0.046 Uiso 1 1 calc R . .
C42 C 0.8014(5) 1.1205(5) 0.6413(4) 0.0435(15) Uani 1 1 d . . .
H42A H 0.7329 1.1037 0.5909 0.065 Uiso 1 1 calc R . .
H42B H 0.8196 1.1920 0.6857 0.065 Uiso 1 1 calc R . .
H42C H 0.7879 1.0618 0.6719 0.065 Uiso 1 1 calc R . .
C43 C 0.5985(6) 0.1577(6) 0.2705(6) 0.069(2) Uani 1 1 d . . .
H43A H 0.6411 0.2392 0.2884 0.083 Uiso 1 1 calc R . .
H43B H 0.6258 0.1226 0.2230 0.083 Uiso 1 1 calc R . .
Cl1 Cl 0.4537(3) 0.1272(2) 0.2245(3) 0.1642(17) Uani 1 1 d U . .
Cl2 Cl 0.6254(3) 0.10941(19) 0.3673(2) 0.1143(10) Uani 1 1 d U . .
F1 F 0.8673(3) 0.2902(3) 0.2648(3) 0.0546(10) Uani 1 1 d . . .
F2 F 0.7594(3) 0.1986(3) 0.1241(3) 0.0548(10) Uani 1 1 d . . .
F3 F 0.9427(3) 0.2778(3) 0.1522(3) 0.0603(11) Uani 1 1 d . . .
F4 F 0.1950(3) 0.3166(5) 0.1598(5) 0.134(2) Uani 1 1 d U . .
F5 F 0.2399(4) 0.4808(5) 0.1626(5) 0.147(3) Uani 1 1 d U . .
F6 F 0.2379(3) 0.3709(6) 0.0526(3) 0.124(2) Uani 1 1 d . . .
F7 F 0.5369(3) 0.8075(3) 0.0273(3) 0.0653(12) Uani 1 1 d . . .
F8 F 0.6755(5) 0.9580(3) 0.1118(3) 0.114(2) Uani 1 1 d . . .
F9 F 0.7004(4) 0.8380(4) 0.0124(3) 0.0790(14) Uani 1 1 d . . .
N1 N 1.1836(3) 0.7375(4) 0.0887(3) 0.0298(11) Uani 1 1 d . . .
N2 N 0.5389(3) 0.3512(4) 0.5419(3) 0.0272(10) Uani 1 1 d . . .
N3 N 0.8802(4) 1.0159(4) 0.5391(3) 0.0323(11) Uani 1 1 d . . .
O1 O 0.7439(3) 0.4049(3) 0.1796(3) 0.0302(9) Uani 1 1 d . . .
O2 O 0.8358(3) 0.6135(3) 0.1468(2) 0.0226(8) Uani 1 1 d . . .
O3 O 0.6236(3) 0.4682(3) 0.2954(3) 0.0272(8) Uani 1 1 d . . .
O4 O 0.4607(3) 0.4697(3) 0.1432(2) 0.0254(8) Uani 1 1 d . . .
O5 O 0.7411(3) 0.6955(3) 0.2945(2) 0.0255(8) Uani 1 1 d . . .
O6 O 0.6258(3) 0.6784(3) 0.1131(2) 0.0235(8) Uani 1 1 d . . .
O7 O 0.5928(3) 0.4468(3) 0.0081(2) 0.0215(7) Uani 1 1 d . . .
Dy1 Dy 0.661365(19) 0.535214(19) 0.172928(18) 0.01816(8) 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'
F F 0.0171 0.0103 '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'
Cl Cl 0.1484 0.1585 '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
F2 C1 F1 106.3(5) . .
F2 C1 F3 106.0(5) . .
F1 C1 F3 106.9(4) . .
F2 C1 C2 112.2(4) . .
F1 C1 C2 110.9(5) . .
F3 C1 C2 114.1(5) . .
O1 C2 C3 129.0(4) . .
O1 C2 C1 112.0(5) . .
C3 C2 C1 119.1(4) . .
C2 C3 C4 123.6(4) . .
C2 C3 H3 118.2 . .
C4 C3 H3 118.2 . .
O2 C4 C3 121.9(4) . .
O2 C4 C5 118.3(4) . .
C3 C4 C5 119.8(4) . .
C12 C5 C6 105.7(4) . .
C12 C5 C4 126.4(4) . .
C6 C5 C4 127.8(4) . .
C7 C6 C11 118.6(4) . .
C7 C6 C5 134.6(4) . .
C11 C6 C5 106.8(4) . .
C8 C7 C6 119.0(4) . .
C8 C7 H7 120.5 . .
C6 C7 H7 120.5 . .
C7 C8 C9 121.6(5) . .
C7 C8 H8 119.2 . .
C9 C8 H8 119.2 . .
C10 C9 C8 120.7(5) . .
C10 C9 H9 119.6 . .
C8 C9 H9 119.6 . .
C9 C10 C11 117.4(5) . .
C9 C10 H10 121.3 . .
C11 C10 H10 121.3 . .
N1 C11 C10 129.7(4) . .
N1 C11 C6 107.6(4) . .
C10 C11 C6 122.6(4) . .
N1 C12 C5 110.7(4) . .
N1 C12 H12 124.7 . .
C5 C12 H12 124.7 . .
N1 C13 C14 110.5(5) . .
N1 C13 H13A 109.6 . .
C14 C13 H13A 109.6 . .
N1 C13 H13B 109.6 . .
C14 C13 H13B 109.6 . .
H13A C13 H13B 108.1 . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
F4 C15 F5 106.0(6) . .
F4 C15 F6 106.1(6) . .
F5 C15 F6 101.5(6) . .
F4 C15 C16 116.7(4) . .
F5 C15 C16 111.2(5) . .
F6 C15 C16 114.0(4) . .
O4 C16 C17 128.9(4) . .
O4 C16 C15 113.8(4) . .
C17 C16 C15 117.3(4) . .
C16 C17 C18 123.9(5) . .
C16 C17 H17 118.1 . .
C18 C17 H17 118.1 . .
O3 C18 C17 121.2(5) . .
O3 C18 C19 118.1(4) . .
C17 C18 C19 120.7(4) . .
C26 C19 C18 126.9(4) . .
C26 C19 C20 106.2(4) . .
C18 C19 C20 126.9(4) . .
C25 C20 C21 118.7(5) . .
C25 C20 C19 106.4(4) . .
C21 C20 C19 134.7(5) . .
C22 C21 C20 118.0(5) . .
C22 C21 H21 121.0 . .
C20 C21 H21 121.0 . .
C21 C22 C23 122.1(5) . .
C21 C22 H22 118.9 . .
C23 C22 H22 118.9 . .
C24 C23 C22 121.2(5) . .
C24 C23 H23 119.4 . .
C22 C23 H23 119.4 . .
C23 C24 C25 116.4(5) . .
C23 C24 H24 121.8 . .
C25 C24 H24 121.8 . .
N2 C25 C24 128.7(5) . .
N2 C25 C20 107.8(4) . .
C24 C25 C20 123.5(5) . .
N2 C26 C19 110.3(4) . .
N2 C26 H26 124.8 . .
C19 C26 H26 124.8 . .
N2 C27 C28 111.1(4) . .
N2 C27 H27A 109.4 . .
C28 C27 H27A 109.4 . .
N2 C27 H27B 109.4 . .
C28 C27 H27B 109.4 . .
H27A C27 H27B 108.0 . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
F8 C29 F9 107.3(5) . .
F8 C29 F7 106.1(5) . .
F9 C29 F7 104.3(5) . .
F8 C29 C30 113.9(5) . .
F9 C29 C30 112.4(4) . .
F7 C29 C30 112.2(4) . .
O6 C30 C31 128.7(5) . .
O6 C30 C29 112.4(5) . .
C31 C30 C29 118.9(4) . .
C30 C31 C32 123.4(4) . .
C30 C31 H31 118.3 . .
C32 C31 H31 118.3 . .
O5 C32 C31 121.2(5) . .
O5 C32 C33 116.7(5) . .
C31 C32 C33 122.0(4) . .
C40 C33 C32 127.1(5) . .
C40 C33 C34 105.7(5) . .
C32 C33 C34 126.8(4) . .
C35 C34 C39 117.9(5) . .
C35 C34 C33 135.2(5) . .
C39 C34 C33 106.9(4) . .
C36 C35 C34 119.0(5) . .
C36 C35 H35 120.5 . .
C34 C35 H35 120.5 . .
C37 C36 C35 121.9(5) . .
C37 C36 H36 119.0 . .
C35 C36 H36 119.0 . .
C36 C37 C38 120.8(6) . .
C36 C37 H37 119.6 . .
C38 C37 H37 119.6 . .
C39 C38 C37 117.3(6) . .
C39 C38 H38 121.4 . .
C37 C38 H38 121.4 . .
C38 C39 N3 128.7(5) . .
C38 C39 C34 123.1(5) . .
N3 C39 C34 108.1(5) . .
N3 C40 C33 110.8(5) . .
N3 C40 H40 124.6 . .
C33 C40 H40 124.6 . .
N3 C41 C42 110.6(4) . .
N3 C41 H41A 109.5 . .
C42 C41 H41A 109.5 . .
N3 C41 H41B 109.5 . .
C42 C41 H41B 109.5 . .
H41A C41 H41B 108.1 . .
C41 C42 H42A 109.5 . .
C41 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
C41 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
Cl1 C43 Cl2 111.4(5) . .
Cl1 C43 H43A 109.3 . .
Cl2 C43 H43A 109.3 . .
Cl1 C43 H43B 109.3 . .
Cl2 C43 H43B 109.3 . .
H43A C43 H43B 108.0 . .
C12 N1 C11 109.2(4) . .
C12 N1 C13 124.7(4) . .
C11 N1 C13 125.5(4) . .
C26 N2 C25 109.2(4) . .
C26 N2 C27 125.3(4) . .
C25 N2 C27 124.5(4) . .
C40 N3 C39 108.5(4) . .
C40 N3 C41 126.7(5) . .
C39 N3 C41 124.4(5) . .
C2 O1 Dy1 132.6(3) . .
C4 O2 Dy1 137.4(3) . .
C18 O3 Dy1 139.9(3) . .
C16 O4 Dy1 132.5(3) . .
C32 O5 Dy1 140.4(3) . .
C30 O6 Dy1 130.3(3) . .
O5 Dy1 O1 116.54(12) . .
O5 Dy1 O3 77.73(12) . .
O1 Dy1 O3 74.26(12) . .
O5 Dy1 O2 81.29(12) . .
O1 Dy1 O2 74.90(11) . .
O3 Dy1 O2 129.21(12) . .
O5 Dy1 O4 107.37(12) . .
O1 Dy1 O4 116.98(11) . .
O3 Dy1 O4 73.58(12) . .
O2 Dy1 O4 157.21(12) . .
O5 Dy1 O6 73.59(12) . .
O1 Dy1 O6 152.18(12) . .
O3 Dy1 O6 133.28(11) . .
O2 Dy1 O6 81.69(10) . .
O4 Dy1 O6 80.78(11) . .
O5 Dy1 O7 149.17(11) . .
O1 Dy1 O7 85.15(12) . .
O3 Dy1 O7 131.61(11) . .
O2 Dy1 O7 84.03(11) . .
O4 Dy1 O7 78.08(11) . .
O6 Dy1 O7 77.57(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 F2 1.333(7) .
C1 F1 1.334(7) .
C1 F3 1.343(6) .
C1 C2 1.518(7) .
C2 O1 1.288(5) .
C2 C3 1.351(7) .
C3 C4 1.433(6) .
C3 H3 0.9300 .
C4 O2 1.271(5) .
C4 C5 1.446(7) .
C5 C12 1.390(6) .
C5 C6 1.443(6) .
C6 C7 1.402(6) .
C6 C11 1.408(6) .
C7 C8 1.368(7) .
C7 H7 0.9300 .
C8 C9 1.410(7) .
C8 H8 0.9300 .
C9 C10 1.378(7) .
C9 H9 0.9300 .
C10 C11 1.392(7) .
C10 H10 0.9300 .
C11 N1 1.389(6) .
C12 N1 1.340(6) .
C12 H12 0.9300 .
C13 N1 1.473(6) .
C13 C14 1.505(8) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 F4 1.254(6) .
C15 F5 1.268(6) .
C15 F6 1.274(7) .
C15 C16 1.515(7) .
C16 O4 1.289(6) .
C16 C17 1.348(7) .
C17 C18 1.439(7) .
C17 H17 0.9300 .
C18 O3 1.262(6) .
C18 C19 1.445(7) .
C19 C26 1.382(7) .
C19 C20 1.445(7) .
C20 C25 1.403(7) .
C20 C21 1.407(7) .
C21 C22 1.383(8) .
C21 H21 0.9300 .
C22 C23 1.393(9) .
C22 H22 0.9300 .
C23 C24 1.388(7) .
C23 H23 0.9300 .
C24 C25 1.391(7) .
C24 H24 0.9300 .
C25 N2 1.389(6) .
C26 N2 1.345(6) .
C26 H26 0.9300 .
C27 N2 1.460(6) .
C27 C28 1.517(7) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C29 F8 1.307(6) .
C29 F9 1.310(6) .
C29 F7 1.315(6) .
C29 C30 1.523(7) .
C30 O6 1.300(5) .
C30 C31 1.356(7) .
C31 C32 1.434(7) .
C31 H31 0.9300 .
C32 O5 1.275(5) .
C32 C33 1.436(7) .
C33 C40 1.392(7) .
C33 C34 1.443(7) .
C34 C35 1.401(7) .
C34 C39 1.404(7) .
C35 C36 1.378(8) .
C35 H35 0.9300 .
C36 C37 1.378(8) .
C36 H36 0.9300 .
C37 C38 1.384(8) .
C37 H37 0.9300 .
C38 C39 1.384(8) .
C38 H38 0.9300 .
C39 N3 1.395(7) .
C40 N3 1.352(7) .
C40 H40 0.9300 .
C41 N3 1.468(6) .
C41 C42 1.524(8) .
C41 H41A 0.9700 .
C41 H41B 0.9700 .
C42 H42A 0.9600 .
C42 H42B 0.9600 .
C42 H42C 0.9600 .
C43 Cl1 1.712(8) .
C43 Cl2 1.728(8) .
C43 H43A 0.9700 .
C43 H43B 0.9700 .
O1 Dy1 2.279(3) .
O2 Dy1 2.293(3) .
O3 Dy1 2.293(3) .
O4 Dy1 2.333(3) .
O5 Dy1 2.257(3) .
O6 Dy1 2.359(3) .
O7 Dy1 2.378(3) .
