#------------------------------------------------------------------------------
#$Date: 2016-08-07 11:02:22 +0300 (Sun, 07 Aug 2016) $
#$Revision: 185137 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/24/1542450.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_1542450
loop_
_publ_author_name
'Wu, Jianfeng'
'Jung, Julie'
'Zhang, Peng'
'Zhang, Haixia'
'Tang, Jinkui'
'Le Guennic, Boris'
_publ_section_title
;
 Cis--trans isomerism modulates the magnetic relaxation of dysprosium
 single-molecule magnets
;
_journal_issue                   6
_journal_name_full               'Chem. Sci.'
_journal_page_first              3632
_journal_paper_doi               10.1039/C5SC04510J
_journal_volume                  7
_journal_year                    2016
_chemical_formula_sum            'C33 H34 Dy F3 N12 O11 S'
_chemical_formula_weight         1026.28
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-12-25 deposited with the CCDC.
2016-02-16 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 129.032(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.791(2)
_cell_length_b                   18.7611(18)
_cell_length_c                   13.6144(14)
_cell_measurement_reflns_used    4692
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.33
_cell_measurement_theta_min      2.90
_cell_volume                     4125.1(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_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  0.0514
_diffrn_reflns_av_sigmaI/netI    0.0563
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            12967
_diffrn_reflns_theta_full        26.15
_diffrn_reflns_theta_max         26.15
_diffrn_reflns_theta_min         1.85
_exptl_absorpt_coefficient_mu    1.947
_exptl_absorpt_correction_T_max  0.664
_exptl_absorpt_correction_T_min  0.645
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.652
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2052
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.361
_refine_diff_density_min         -0.963
_refine_diff_density_rms         0.138
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     310
_refine_ls_number_reflns         4119
_refine_ls_number_restraints     95
_refine_ls_restrained_S_all      1.160
_refine_ls_R_factor_all          0.0646
_refine_ls_R_factor_gt           0.0508
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0887P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1390
_refine_ls_wR_factor_ref         0.1492
_reflns_number_gt                3346
_reflns_number_total             4119
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5sc04510j2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_absorpt_correction_type' value 'multi_scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 1542448--1542450.cif.
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               1542450
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
C1 C 1.0190(5) 0.2190(4) 0.1142(7) 0.0520(17) Uani 1 1 d .
H1 H 0.9924 0.2531 0.0503 0.062 Uiso 1 1 calc R
C2 C 1.1060(4) 0.2228(3) 0.2008(7) 0.0467(15) Uani 1 1 d .
C3 C 1.1467(5) 0.2773(4) 0.1851(8) 0.064(2) Uani 1 1 d .
H3 H 1.1153 0.3102 0.1200 0.076 Uiso 1 1 calc R
C4 C 1.2292(6) 0.2818(5) 0.2627(9) 0.075(3) Uani 1 1 d .
H4 H 1.2550 0.3161 0.2490 0.090 Uiso 1 1 calc R
C5 C 1.2762(5) 0.2354(4) 0.3633(8) 0.067(2) Uani 1 1 d .
H5 H 1.3334 0.2411 0.4199 0.081 Uiso 1 1 calc R
C6 C 1.2411(4) 0.1814(4) 0.3818(8) 0.0564(19) Uani 1 1 d .
C7 C 1.1536(4) 0.1731(3) 0.2987(6) 0.0438(15) Uani 1 1 d .
C8 C 1.3684(5) 0.1384(6) 0.5675(9) 0.088(3) Uani 1 1 d .
H8A H 1.3942 0.1313 0.5295 0.133 Uiso 1 1 calc R
H8B H 1.3889 0.1037 0.6329 0.133 Uiso 1 1 calc R
H8C H 1.3811 0.1854 0.6032 0.133 Uiso 1 1 calc R
C9 C 0.8351(5) 0.0570(4) -0.0572(7) 0.0551(18) Uani 1 1 d .
H9 H 0.8287 0.1053 -0.0501 0.066 Uiso 1 1 calc R
C10 C 0.7695(5) 0.0223(4) -0.1619(7) 0.064(2) Uani 1 1 d .
H10 H 0.7213 0.0463 -0.2256 0.077 Uiso 1 1 calc R
C11 C 0.7781(5) -0.0493(5) -0.1684(7) 0.070(2) Uani 1 1 d .
H11 H 0.7337 -0.0756 -0.2352 0.084 Uiso 1 1 calc R
C12 C 0.8510(6) -0.0824(4) -0.0777(8) 0.062(2) Uani 1 1 d .
H12 H 0.8579 -0.1308 -0.0834 0.075 Uiso 1 1 calc R
C13 C 0.9145(4) -0.0424(4) 0.0227(6) 0.0461(15) Uani 1 1 d .
C14 C 0.9965(5) -0.0736(3) 0.1258(6) 0.0432(15) Uani 1 1 d .
C15 C 1.0784(5) -0.1704(4) 0.2192(7) 0.0551(18) Uani 1 1 d .
C16 C 1.1315(5) -0.0602(4) 0.2959(7) 0.0469(16) Uani 1 1 d .
C17 C 1.0000 0.5000 0.0000 0.244(8) Uani 1 2 d SDU
Dy1 Dy 1.0000 0.08138(2) 0.2500 0.03955(18) Uani 1 2 d S
F1 F 0.9713(17) 0.4391(7) -0.008(3) 0.258(9) Uani 0.50 1 d PDU
F2 F 0.9597(15) 0.5389(12) -0.1077(15) 0.246(8) Uani 0.50 1 d PDU
F3 F 1.0812(9) 0.5125(13) 0.076(2) 0.273(9) Uani 0.50 1 d PDU
N1 N 0.9068(3) 0.0275(3) 0.0347(5) 0.0481(13) Uani 1 1 d .
N2 N 1.0559(3) -0.0295(3) 0.2127(5) 0.0432(12) Uani 1 1 d .
N3 N 1.1956(3) -0.0188(3) 0.3760(6) 0.0580(16) Uani 1 1 d .
H3A H 1.2438 -0.0372 0.4310 0.070 Uiso 1 1 calc R
H3B H 1.1893 0.0267 0.3734 0.070 Uiso 1 1 calc R
N4 N 1.1441(4) -0.1315(3) 0.3032(6) 0.0563(16) Uani 1 1 d .
N5 N 1.0860(5) -0.2394(3) 0.2268(7) 0.077(2) Uani 1 1 d .
H5A H 1.1331 -0.2585 0.2855 0.093 Uiso 1 1 calc R
H5B H 1.0441 -0.2659 0.1731 0.093 Uiso 1 1 calc R
N6 N 1.0029(4) -0.1441(3) 0.1216(5) 0.0541(15) Uani 1 1 d .
O1 O 0.9741(3) 0.1758(3) 0.1134(5) 0.0579(13) Uani 1 1 d .
O2 O 1.1216(3) 0.1193(3) 0.3147(4) 0.0502(11) Uani 1 1 d .
O3 O 1.2819(3) 0.1310(3) 0.4747(6) 0.0712(16) Uani 1 1 d .
O7 O 0.8826(11) 0.5515(12) 0.014(2) 0.203(7) Uani 0.50 1 d PDU
O8 O 1.0144(15) 0.5200(11) 0.2094(16) 0.220(8) Uani 0.50 1 d PDU
O9 O 0.9925(14) 0.6289(8) 0.097(2) 0.199(8) Uani 0.50 1 d PDU
O10 O 0.2952(9) 0.8229(7) 0.5495(12) 0.206(5) Uani 1 1 d U
S1 S 0.9737(8) 0.5595(5) 0.0886(10) 0.192(4) Uani 0.50 1 d PDU
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'
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'
S S 0.1246 0.1234 '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 C1 C2 127.4(7) . .
O1 C1 H1 116.3 . .
C2 C1 H1 116.3 . .
C7 C2 C1 121.9(6) . .
C7 C2 C3 119.3(7) . .
C1 C2 C3 118.7(7) . .
C4 C3 C2 120.9(8) . .
C4 C3 H3 119.6 . .
C2 C3 H3 119.6 . .
C3 C4 C5 120.0(8) . .
C3 C4 H4 120.0 . .
C5 C4 H4 120.0 . .
C6 C5 C4 121.7(7) . .
C6 C5 H5 119.1 . .
C4 C5 H5 119.1 . .
C5 C6 O3 126.5(7) . .
C5 C6 C7 120.0(8) . .
O3 C6 C7 113.5(6) . .
O2 C7 C2 123.2(6) . .
O2 C7 C6 119.0(6) . .
C2 C7 C6 117.8(6) . .
O3 C8 H8A 109.5 . .
O3 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
O3 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
N1 C9 C10 125.4(7) . .
N1 C9 H9 117.3 . .
C10 C9 H9 117.3 . .
C11 C10 C9 116.8(7) . .
C11 C10 H10 121.6 . .
C9 C10 H10 121.6 . .
C12 C11 C10 120.5(8) . .
C12 C11 H11 119.8 . .
C10 C11 H11 119.8 . .
C11 C12 C13 118.3(7) . .
C11 C12 H12 120.8 . .
C13 C12 H12 120.8 . .
N1 C13 C12 122.6(6) . .
N1 C13 C14 115.0(6) . .
C12 C13 C14 122.4(6) . .
N2 C14 N6 126.4(6) . .
N2 C14 C13 117.8(5) . .
N6 C14 C13 115.8(6) . .
N5 C15 N4 118.3(7) . .
N5 C15 N6 116.6(7) . .
N4 C15 N6 125.0(6) . .
N3 C16 N4 118.2(6) . .
N3 C16 N2 118.5(6) . .
N4 C16 N2 123.3(7) . .
F1 C17 F1 180.0(5) . 5_765
F1 C17 F3 58.3(12) . 5_765
F1 C17 F3 121.7(12) 5_765 5_765
F1 C17 F3 121.7(12) . .
F1 C17 F3 58.3(12) 5_765 .
F3 C17 F3 180(2) 5_765 .
F1 C17 F2 62.7(12) . 5_765
F1 C17 F2 117.3(12) 5_765 5_765
F3 C17 F2 111.3(11) 5_765 5_765
F3 C17 F2 68.7(11) . 5_765
F1 C17 F2 117.3(12) . .
F1 C17 F2 62.7(12) 5_765 .
F3 C17 F2 68.7(11) 5_765 .
F3 C17 F2 111.3(11) . .
F2 C17 F2 180.0(15) 5_765 .
F1 C17 S1 105.6(9) . .
F1 C17 S1 74.4(9) 5_765 .
F3 C17 S1 82.6(8) 5_765 .
F3 C17 S1 97.4(8) . .
F2 C17 S1 82.1(8) 5_765 .
F2 C17 S1 97.9(8) . .
F1 C17 S1 74.4(9) . 5_765
F1 C17 S1 105.6(9) 5_765 5_765
F3 C17 S1 97.4(8) 5_765 5_765
F3 C17 S1 82.6(8) . 5_765
F2 C17 S1 97.9(8) 5_765 5_765
F2 C17 S1 82.1(8) . 5_765
S1 C17 S1 180.0(5) . 5_765
O2 Dy1 O2 142.4(2) . 2_755
O2 Dy1 O1 79.01(18) . 2_755
O2 Dy1 O1 73.12(17) 2_755 2_755
O2 Dy1 O1 73.12(17) . .
O2 Dy1 O1 79.01(18) 2_755 .
O1 Dy1 O1 83.4(3) 2_755 .
O2 Dy1 N1 116.53(19) . .
O2 Dy1 N1 79.30(17) 2_755 .
O1 Dy1 N1 148.13(18) 2_755 .
O1 Dy1 N1 75.89(18) . .
O2 Dy1 N1 79.30(17) . 2_755
O2 Dy1 N1 116.53(19) 2_755 2_755
O1 Dy1 N1 75.89(18) 2_755 2_755
O1 Dy1 N1 148.13(18) . 2_755
N1 Dy1 N1 132.2(3) . 2_755
O2 Dy1 N2 136.47(17) . 2_755
O2 Dy1 N2 78.06(18) 2_755 2_755
O1 Dy1 N2 110.78(18) 2_755 2_755
O1 Dy1 N2 147.90(17) . 2_755
N1 Dy1 N2 78.01(18) . 2_755
N1 Dy1 N2 63.61(17) 2_755 2_755
O2 Dy1 N2 78.06(18) . .
O2 Dy1 N2 136.47(17) 2_755 .
O1 Dy1 N2 147.90(17) 2_755 .
O1 Dy1 N2 110.78(18) . .
N1 Dy1 N2 63.61(17) . .
N1 Dy1 N2 78.01(18) 2_755 .
N2 Dy1 N2 72.9(2) 2_755 .
C17 F1 F3 63.6(11) . 5_765
C17 F1 F2 62.0(11) . 5_765
F3 F1 F2 115.0(17) 5_765 5_765
C17 F1 S1 68.7(9) . 5_765
F3 F1 S1 96.6(16) 5_765 5_765
F2 F1 S1 94.6(15) 5_765 5_765
C17 F2 F1 55.3(10) . 5_765
C17 F2 F3 54.9(9) . 5_765
F1 F2 F3 103.6(16) 5_765 5_765
F1 F3 C17 58.0(11) 5_765 .
F1 F3 F2 106.6(17) 5_765 5_765
C17 F3 F2 56.4(9) . 5_765
C9 N1 C13 116.3(6) . .
C9 N1 Dy1 121.5(5) . .
C13 N1 Dy1 118.3(4) . .
C14 N2 C16 114.6(6) . .
C14 N2 Dy1 113.2(4) . .
C16 N2 Dy1 127.2(4) . .
C16 N3 H3A 120.0 . .
C16 N3 H3B 120.0 . .
H3A N3 H3B 120.0 . .
C15 N4 C16 115.9(6) . .
C15 N5 H5A 120.0 . .
C15 N5 H5B 120.0 . .
H5A N5 H5B 120.0 . .
C14 N6 C15 113.8(6) . .
C1 O1 Dy1 133.5(5) . .
C7 O2 Dy1 139.6(4) . .
C6 O3 C8 117.3(7) . .
S1 O8 O8 126(2) . 2_755
O9 S1 O7 109.4(12) . .
O9 S1 O8 117.2(12) . .
O7 S1 O8 107.4(11) . .
O9 S1 C17 115.2(10) . .
O7 S1 C17 104.4(9) . .
O8 S1 C17 102.3(8) . .
O9 S1 F1 78.4(10) . 5_765
O7 S1 F1 122.6(12) . 5_765
O8 S1 F1 119.0(12) . 5_765
C17 S1 F1 37.0(4) . 5_765
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.231(9) .
C1 C2 1.407(10) .
C1 H1 0.9300 .
C2 C7 1.401(9) .
C2 C3 1.426(10) .
C3 C4 1.337(12) .
C3 H3 0.9300 .
C4 C5 1.379(12) .
C4 H4 0.9300 .
C5 C6 1.361(11) .
C5 H5 0.9300 .
C6 O3 1.366(10) .
C6 C7 1.423(10) .
C7 O2 1.301(8) .
C8 O3 1.410(10) .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 N1 1.321(9) .
C9 C10 1.366(11) .
C9 H9 0.9300 .
C10 C11 1.365(11) .
C10 H10 0.9300 .
C11 C12 1.361(12) .
C11 H11 0.9300 .
C12 C13 1.379(11) .
C12 H12 0.9300 .
C13 N1 1.344(8) .
C13 C14 1.485(9) .
C14 N2 1.330(9) .
C14 N6 1.335(8) .
C15 N5 1.299(9) .
C15 N4 1.319(10) .
C15 N6 1.359(9) .
C16 N3 1.320(9) .
C16 N4 1.355(9) .
C16 N2 1.356(9) .
C17 F1 1.262(14) .
C17 F1 1.262(14) 5_765
C17 F3 1.333(14) 5_765
C17 F3 1.333(14) .
C17 F2 1.355(14) 5_765
C17 F2 1.355(14) .
C17 S1 1.956(8) .
C17 S1 1.956(8) 5_765
Dy1 O2 2.207(4) .
Dy1 O2 2.207(4) 2_755
Dy1 O1 2.373(5) 2_755
Dy1 O1 2.373(5) .
Dy1 N1 2.493(5) .
Dy1 N1 2.493(5) 2_755
Dy1 N2 2.585(5) 2_755
Dy1 N2 2.585(5) .
F1 F3 1.27(3) 5_765
F1 F2 1.36(3) 5_765
F1 S1 2.02(2) 5_765
F2 F1 1.36(3) 5_765
F2 F3 1.52(3) 5_765
F3 F1 1.27(3) 5_765
F3 F2 1.52(3) 5_765
N3 H3A 0.8600 .
N3 H3B 0.8600 .
N5 H5A 0.8600 .
N5 H5B 0.8600 .
O7 S1 1.489(15) .
O8 S1 1.490(14) .
O8 O8 1.55(4) 2_755
O9 S1 1.344(14) .
S1 F1 2.02(2) 5_765
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
_geom_torsion_site_symmetry_4
O1 C1 C2 C7 2.3(12) . .
O1 C1 C2 C3 180.0(7) . .
C7 C2 C3 C4 -0.3(12) . .
C1 C2 C3 C4 -178.1(8) . .
C2 C3 C4 C5 -3.1(14) . .
C3 C4 C5 C6 4.3(14) . .
C4 C5 C6 O3 177.1(8) . .
C4 C5 C6 C7 -2.0(13) . .
C1 C2 C7 O2 2.0(11) . .
C3 C2 C7 O2 -175.7(6) . .
C1 C2 C7 C6 -179.8(7) . .
C3 C2 C7 C6 2.6(10) . .
C5 C6 C7 O2 176.8(7) . .
O3 C6 C7 O2 -2.4(10) . .
C5 C6 C7 C2 -1.4(11) . .
O3 C6 C7 C2 179.3(6) . .
N1 C9 C10 C11 3.0(14) . .
C9 C10 C11 C12 -4.1(14) . .
C10 C11 C12 C13 2.5(14) . .
C11 C12 C13 N1 0.4(13) . .
C11 C12 C13 C14 -179.6(8) . .
N1 C13 C14 N2 -5.7(9) . .
C12 C13 C14 N2 174.3(7) . .
N1 C13 C14 N6 174.1(6) . .
C12 C13 C14 N6 -5.9(10) . .
F1 C17 F1 F3 33.8(19) 5_765 5_765
F3 C17 F1 F3 180.000(4) . 5_765
F2 C17 F1 F3 143.0(17) 5_765 5_765
F2 C17 F1 F3 -37.0(17) . 5_765
S1 C17 F1 F3 70.7(14) . 5_765
S1 C17 F1 F3 -109.3(14) 5_765 5_765
F1 C17 F1 F2 -109.1(15) 5_765 5_765
F3 C17 F1 F2 -143.0(17) 5_765 5_765
F3 C17 F1 F2 37.0(17) . 5_765
F2 C17 F1 F2 180.000(4) . 5_765
S1 C17 F1 F2 -72.3(13) . 5_765
S1 C17 F1 F2 107.7(13) 5_765 5_765
F1 C17 F1 S1 143.1(8) 5_765 5_765
F3 C17 F1 S1 109.3(14) 5_765 5_765
F3 C17 F1 S1 -70.7(14) . 5_765
F2 C17 F1 S1 -107.7(13) 5_765 5_765
F2 C17 F1 S1 72.3(13) . 5_765
S1 C17 F1 S1 180.0 . 5_765
F1 C17 F2 F1 180.000(7) . 5_765
F3 C17 F2 F1 146.6(15) 5_765 5_765
F3 C17 F2 F1 -33.4(15) . 5_765
F2 C17 F2 F1 -64.0(14) 5_765 5_765
S1 C17 F2 F1 67.8(13) . 5_765
S1 C17 F2 F1 -112.2(13) 5_765 5_765
F1 C17 F2 F3 33.4(15) . 5_765
F1 C17 F2 F3 -146.6(15) 5_765 5_765
F3 C17 F2 F3 180.000(4) . 5_765
F2 C17 F2 F3 149.4(14) 5_765 5_765
S1 C17 F2 F3 -78.8(10) . 5_765
S1 C17 F2 F3 101.2(10) 5_765 5_765
F1 C17 F3 F1 180.000(4) . 5_765
F3 C17 F3 F1 0(100) 5_765 5_765
F2 C17 F3 F1 -145.0(16) 5_765 5_765
F2 C17 F3 F1 35.0(16) . 5_765
S1 C17 F3 F1 -66.4(13) . 5_765
S1 C17 F3 F1 113.6(13) 5_765 5_765
F1 C17 F3 F2 -35.0(16) . 5_765
F1 C17 F3 F2 145.0(16) 5_765 5_765
F3 C17 F3 F2 0(100) 5_765 5_765
F2 C17 F3 F2 180.0 . 5_765
S1 C17 F3 F2 78.5(10) . 5_765
S1 C17 F3 F2 -101.5(10) 5_765 5_765
C10 C9 N1 C13 -0.3(12) . .
C10 C9 N1 Dy1 -157.7(7) . .
C12 C13 N1 C9 -1.5(11) . .
C14 C13 N1 C9 178.5(6) . .
C12 C13 N1 Dy1 156.7(6) . .
C14 C13 N1 Dy1 -23.3(8) . .
O2 Dy1 N1 C9 -116.2(6) . .
O2 Dy1 N1 C9 27.7(6) 2_755 .
O1 Dy1 N1 C9 -2.6(8) 2_755 .
O1 Dy1 N1 C9 -53.5(6) . .
N1 Dy1 N1 C9 143.9(6) 2_755 .
N2 Dy1 N1 C9 107.6(6) 2_755 .
N2 Dy1 N1 C9 -175.8(6) . .
O2 Dy1 N1 C13 86.8(5) . .
O2 Dy1 N1 C13 -129.3(5) 2_755 .
O1 Dy1 N1 C13 -159.6(4) 2_755 .
O1 Dy1 N1 C13 149.4(5) . .
N1 Dy1 N1 C13 -13.1(4) 2_755 .
N2 Dy1 N1 C13 -49.4(5) 2_755 .
N2 Dy1 N1 C13 27.2(5) . .
N6 C14 N2 C16 7.0(10) . .
C13 C14 N2 C16 -173.2(6) . .
N6 C14 N2 Dy1 -150.1(6) . .
C13 C14 N2 Dy1 29.7(7) . .
N3 C16 N2 C14 172.5(6) . .
N4 C16 N2 C14 -9.4(9) . .
N3 C16 N2 Dy1 -34.2(9) . .
N4 C16 N2 Dy1 143.9(5) . .
O2 Dy1 N2 C14 -156.7(5) . .
O2 Dy1 N2 C14 5.8(6) 2_755 .
O1 Dy1 N2 C14 158.0(4) 2_755 .
O1 Dy1 N2 C14 -90.2(5) . .
N1 Dy1 N2 C14 -28.8(4) . .
N1 Dy1 N2 C14 121.9(5) 2_755 .
N2 Dy1 N2 C14 56.1(4) 2_755 .
O2 Dy1 N2 C16 49.7(5) . .
O2 Dy1 N2 C16 -147.8(5) 2_755 .
O1 Dy1 N2 C16 4.4(7) 2_755 .
O1 Dy1 N2 C16 116.2(5) . .
N1 Dy1 N2 C16 177.6(6) . .
N1 Dy1 N2 C16 -31.8(5) 2_755 .
N2 Dy1 N2 C16 -97.6(6) 2_755 .
N5 C15 N4 C16 -176.0(7) . .
N6 C15 N4 C16 6.2(11) . .
N3 C16 N4 C15 -178.5(7) . .
N2 C16 N4 C15 3.3(10) . .
N2 C14 N6 C15 1.2(10) . .
C13 C14 N6 C15 -178.6(6) . .
N5 C15 N6 C14 173.8(7) . .
N4 C15 N6 C14 -8.3(11) . .
C2 C1 O1 Dy1 3.3(12) . .
O2 Dy1 O1 C1 -7.9(7) . .
O2 Dy1 O1 C1 146.6(7) 2_755 .
O1 Dy1 O1 C1 72.6(7) 2_755 .
N1 Dy1 O1 C1 -131.8(7) . .
N1 Dy1 O1 C1 23.3(9) 2_755 .
N2 Dy1 O1 C1 -168.3(6) 2_755 .
N2 Dy1 O1 C1 -77.6(7) . .
C2 C7 O2 Dy1 -14.1(11) . .
C6 C7 O2 Dy1 167.7(5) . .
O2 Dy1 O2 C7 -30.1(6) 2_755 .
O1 Dy1 O2 C7 -72.5(7) 2_755 .
O1 Dy1 O2 C7 13.8(7) . .
N1 Dy1 O2 C7 77.9(7) . .
N1 Dy1 O2 C7 -150.1(7) 2_755 .
N2 Dy1 O2 C7 178.8(6) 2_755 .
N2 Dy1 O2 C7 130.1(7) . .
C5 C6 O3 C8 5.8(13) . .
C7 C6 O3 C8 -175.0(7) . .
O8 O8 S1 O9 82(2) 2_755 .
O8 O8 S1 O7 -42(2) 2_755 .
O8 O8 S1 C17 -151.3(17) 2_755 .
O8 O8 S1 F1 173.3(17) 2_755 5_765
F1 C17 S1 O9 -174.2(15) . .
F1 C17 S1 O9 5.8(15) 5_765 .
F3 C17 S1 O9 -120.1(14) 5_765 .
F3 C17 S1 O9 59.9(14) . .
F2 C17 S1 O9 127.1(14) 5_765 .
F2 C17 S1 O9 -52.9(14) . .
S1 C17 S1 O9 0.0(6) 5_765 .
F1 C17 S1 O7 -54.2(15) . .
F1 C17 S1 O7 125.8(15) 5_765 .
F3 C17 S1 O7 -0.1(13) 5_765 .
F3 C17 S1 O7 179.9(13) . .
F2 C17 S1 O7 -112.9(13) 5_765 .
F2 C17 S1 O7 67.1(13) . .
S1 C17 S1 O7 0.0(16) 5_765 .
F1 C17 S1 O8 57.6(15) . .
F1 C17 S1 O8 -122.4(15) 5_765 .
F3 C17 S1 O8 111.7(13) 5_765 .
F3 C17 S1 O8 -68.3(13) . .
F2 C17 S1 O8 -1.1(13) 5_765 .
F2 C17 S1 O8 178.9(13) . .
S1 C17 S1 O8 0.0(15) 5_765 .
F1 C17 S1 F1 180.000(2) . 5_765
F3 C17 S1 F1 -125.9(14) 5_765 5_765
F3 C17 S1 F1 54.1(14) . 5_765
F2 C17 S1 F1 121.3(14) 5_765 5_765
F2 C17 S1 F1 -58.7(14) . 5_765
S1 C17 S1 F1 0.0(11) 5_765 5_765
