#------------------------------------------------------------------------------
#$Date: 2019-12-13 11:48:22 +0200 (Fri, 13 Dec 2019) $
#$Revision: 245059 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/65/1556563.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_1556563
loop_
_publ_author_name
'Cosquer, G.'
'Kamila, M.'
'Li, Z.-Y.'
'Breedlove, B.K.'
'Yamashita, M.'
_publ_section_title
;
 Photo-Modulation of Single-Molecule Magnetic Dynamics of a Dysprosium
 Dinuclear Complex via a Diarylethene Bridge
;
_journal_name_full               Inorganics
_journal_page_first              9
_journal_paper_doi               10.3390/inorganics6010009
_journal_volume                  6
_journal_year                    2018
_chemical_formula_sum            'C72 H50 Dy2 F36 N4 O12 S2'
_chemical_formula_weight         2236.28
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   constr
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 112.0420(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   28.340(4)
_cell_length_b                   12.5017(16)
_cell_length_c                   26.031(3)
_cell_measurement_reflns_used    17189
_cell_measurement_temperature    93
_cell_measurement_theta_max      23.774
_cell_measurement_theta_min      1.541
_cell_volume                     8548.6(19)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    SIR-92
_diffrn_ambient_temperature      93
_diffrn_detector_area_resol_mean 10.5
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker Photon 100 CMOS'
_diffrn_measurement_method       'ω 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  0.0263
_diffrn_reflns_av_unetI/netI     0.0327
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            17189
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        23.925
_diffrn_reflns_theta_max         23.925
_diffrn_reflns_theta_min         1.550
_exptl_absorpt_coefficient_mu    1.921
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.75
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS; Sheldrick, G. M. 
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.738
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             4376
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.056
_refine_diff_density_min         -0.920
_refine_diff_density_rms         0.172
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     709
_refine_ls_number_reflns         6583
_refine_ls_number_restraints     44
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.1066
_refine_ls_R_factor_gt           0.0784
_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)+(0.1252P)²+202.5404P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2007
_refine_ls_wR_factor_ref         0.2358
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4881
_reflns_number_total             6583
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            Inorganics-2018-6-9.cif
_cod_data_source_block           2-open
_cod_original_cell_volume        8548.7(18)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1556563
_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.
;
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1A Dy 0.15642(8) 0.34562(10) 0.10022(7) 0.0374(5) Uani 0.692(13) 1 d . . P A
1
Dy2A Dy 0.1715(5) 0.3757(13) 0.10331(19) 0.099(3) Uani 0.308(13) 1 d . . P A 2
C1 C 0.1812(5) 0.5620(10) 0.1884(4) 0.059(3) Uani 1 1 d . . . . .
H1 H 0.2060 0.5142 0.2096 0.070 Uiso 1 1 calc R U . . .
C2 C 0.1758(5) 0.6588(10) 0.2118(5) 0.067(3) Uani 1 1 d . . . . .
H2 H 0.1977 0.6763 0.2475 0.080 Uiso 1 1 calc R U . . .
C3 C 0.1382(6) 0.7285(11) 0.1819(5) 0.073(4) Uani 1 1 d . . . . .
H3 H 0.1330 0.7923 0.1975 0.088 Uiso 1 1 calc R U . . .
C4 C 0.1081(6) 0.7013(11) 0.1280(5) 0.073(4) Uani 1 1 d . . . . .
H4 H 0.0833 0.7487 0.1065 0.087 Uiso 1 1 calc R U . . .
C5 C 0.1145(4) 0.6030(9) 0.1053(4) 0.054(3) Uani 1 1 d . . . . .
C6 C 0.0840(4) 0.5677(9) 0.0495(4) 0.056(3) Uani 1 1 d . . . . .
C7 C 0.0503(5) 0.6363(10) 0.0107(5) 0.062(3) Uani 1 1 d . . . . .
H7 H 0.0458 0.7058 0.0208 0.074 Uiso 1 1 calc R U . . .
C8 C 0.0235(5) 0.6008(9) -0.0428(4) 0.057(3) Uani 1 1 d . . . . .
H8 H -0.0004 0.6450 -0.0682 0.068 Uiso 1 1 calc R U . . .
C9 C 0.0326(4) 0.4990(9) -0.0582(4) 0.049(3) Uani 1 1 d . . . . .
C10 C 0.0659(4) 0.4342(9) -0.0169(4) 0.052(3) Uani 1 1 d . . . . .
H10 H 0.0708 0.3642 -0.0260 0.062 Uiso 1 1 calc R U . . .
C11 C 0.0082(4) 0.4571(9) -0.1147(4) 0.049(2) Uani 1 1 d . . . . .
C12 C 0.0194(4) 0.3658(8) -0.1370(4) 0.046(2) Uani 1 1 d . . . . .
H12 H 0.0440 0.3173 -0.1161 0.056 Uiso 1 1 calc R U . . .
C13 C -0.0093(4) 0.3509(8) -0.1945(4) 0.047(2) Uani 1 1 d . . . . .
C14 C -0.0438(4) 0.4340(8) -0.2155(4) 0.047(2) Uani 1 1 d . . . . .
C15 C -0.0834(4) 0.4477(9) -0.2729(4) 0.056(3) Uani 1 1 d . . . . .
H15A H -0.1014 0.5136 -0.2748 0.084 Uiso 1 1 calc R U . . .
H15B H -0.0672 0.4494 -0.2993 0.084 Uiso 1 1 calc R U . . .
H15C H -0.1069 0.3890 -0.2812 0.084 Uiso 1 1 calc R U . . .
C16 C -0.0034(4) 0.2596(8) -0.2263(4) 0.051(3) Uani 1 1 d . . . . .
C17 C -0.0056(6) 0.1477(9) -0.2065(6) 0.079(4) Uani 1 1 d . . . . .
H17A H 0.0218 0.1354 -0.1710 0.095 Uiso 1 1 calc R U . . .
H17B H -0.0379 0.1349 -0.2026 0.095 Uiso 1 1 calc R U . . .
C18 C 0.0000 0.0772(13) -0.2500 0.072(6) Uani 1 2 d S T P . .
H18A H 0.0297 0.0319 -0.2341 0.087 Uiso 0.5 1 calc R U P . .
H18B H -0.0297 0.0319 -0.2659 0.087 Uiso 0.5 1 calc R U P . .
N1 N 0.1518(3) 0.5347(7) 0.1361(3) 0.050(2) Uani 1 1 d . . . . .
N2 N 0.0911(3) 0.4675(7) 0.0349(3) 0.0452(19) Uani 1 1 d . . . . .
S1 S -0.03989(11) 0.5269(2) -0.16464(11) 0.0554(7) Uani 1 1 d . . . . .
C19 C 0.3335(5) 0.4045(12) 0.1782(6) 0.073(4) Uani 1 1 d . . . . .
C20 C 0.2788(5) 0.4090(11) 0.1309(6) 0.074(4) Uani 1 1 d . . . . .
C21 C 0.2764(7) 0.415(3) 0.0760(8) 0.214(18) Uani 1 1 d . . . . .
H36 H 0.3060 0.4165 0.0686 0.256 Uiso 1 1 calc R U . . .
C22 C 0.2284(6) 0.418(2) 0.0325(7) 0.139(10) Uani 1 1 d . . . . .
C23 C 0.2260(8) 0.421(3) -0.0285(11) 0.138(8) Uani 1 1 d . . . . .
O1 O 0.2444(3) 0.3883(7) 0.1460(3) 0.066(2) Uani 1 1 d . . . . .
O2 O 0.1868(4) 0.4023(10) 0.0343(4) 0.097(4) Uani 1 1 d . . . . .
F1 F 0.3323(3) 0.4434(7) 0.2255(3) 0.084(2) Uani 1 1 d . . . . .
F2 F 0.3498(3) 0.3090(8) 0.1877(4) 0.099(3) Uani 1 1 d . . . . .
F3 F 0.3665(3) 0.4637(8) 0.1658(4) 0.102(3) Uani 1 1 d . . . . .
F4 F 0.1811(7) 0.408(3) -0.0670(6) 0.38(2) Uani 1 1 d . . . . .
F5 F 0.2447(10) 0.1607(11) 0.0391(7) 0.199(9) Uani 1 1 d . . . . .
F6 F 0.2484(8) 0.5134(14) -0.0347(6) 0.179(7) Uani 1 1 d . . . . .
C24 C 0.2187(7) 0.0041(11) 0.1485(6) 0.084(4) Uani 1 1 d . . . . .
C25 C 0.1865(6) 0.0858(11) 0.1092(5) 0.076(4) Uani 1 1 d . . . . .
C26 C 0.1495(7) 0.0560(11) 0.0598(6) 0.104(6) Uani 1 1 d . . . . .
H37 H 0.1423 -0.0163 0.0527 0.124 Uiso 1 1 calc R U . . .
C27 C 0.1228(7) 0.1299(12) 0.0202(6) 0.101(6) Uani 1 1 d . . . . .
C28 C 0.0847(9) 0.0949(14) -0.0366(9) 0.121(8) Uani 1 1 d . . . . .
O3 O 0.1974(3) 0.1825(7) 0.1276(3) 0.064(2) Uani 1 1 d . . . . .
O4 O 0.1264(4) 0.2304(7) 0.0241(4) 0.092(3) Uani 1 1 d . . . . .
F7 F 0.2105(5) -0.0945(8) 0.1271(4) 0.144(5) Uani 1 1 d . . . . .
F8 F 0.2116(4) 0.0041(9) 0.1956(4) 0.121(3) Uani 1 1 d . . . . .
F9 F 0.2695(4) 0.0247(8) 0.1621(4) 0.104(3) Uani 1 1 d . . . . .
F10 F 0.0803(8) -0.0084(9) -0.0403(6) 0.283(14) Uani 1 1 d . . . . .
F11 F 0.0404(4) 0.1350(8) -0.0493(4) 0.113(3) Uani 1 1 d . . . . .
F12 F 0.1043(6) 0.1316(14) -0.0769(5) 0.177(7) Uani 1 1 d . . . . .
C29B C 0.1737(9) 0.2479(15) 0.2798(8) 0.105(16) Uani 0.692(13) 1 d D . P A 1
C30B C 0.1492(10) 0.2452(17) 0.2181(9) 0.077(11) Uani 0.692(13) 1 d D . P A 1
C31B C 0.1104(7) 0.1758(17) 0.1906(7) 0.047(6) Uani 0.692(13) 1 d D . P A 1
H31B H 0.1063 0.1155 0.2094 0.057 Uiso 0.692(13) 1 calc R U P A 1
C32B C 0.0779(8) 0.1905(17) 0.1379(8) 0.054(6) Uani 0.692(13) 1 d D . P A 1
C33B C 0.0342(7) 0.114(2) 0.1124(8) 0.106(10) Uani 0.692(13) 1 d D . P A 1
O5B O 0.1642(7) 0.3247(14) 0.1936(7) 0.042(5) Uani 0.692(13) 1 d D . P A 1
O6B O 0.0840(5) 0.2577(11) 0.1012(6) 0.052(4) Uani 0.692(13) 1 d D . P A 1
F13B F 0.2199(9) 0.217(3) 0.2940(12) 0.174(15) Uani 0.692(13) 1 d D . P A 1
F14B F 0.1467(10) 0.1832(17) 0.2985(8) 0.156(10) Uani 0.692(13) 1 d D . P A 1
F15B F 0.1690(13) 0.3419(17) 0.2973(12) 0.193(16) Uani 0.692(13) 1 d D . P A 1
F16B F 0.0501(11) 0.017(2) 0.1247(17) 0.27(3) Uani 0.692(13) 1 d D . P A 1
F17B F -0.0007(9) 0.142(3) 0.1313(12) 0.26(2) Uani 0.692(13) 1 d D . P A 1
F18B F 0.0110(9) 0.1153(17) 0.0579(6) 0.138(10) Uani 0.692(13) 1 d D . P A 1
C29A C 0.1780(13) 0.254(2) 0.2735(10) 0.052(15) Uiso 0.308(13) 1 d D . P A 2
C30A C 0.1482(12) 0.267(3) 0.2115(11) 0.010(7) Uiso 0.308(13) 1 d D . P A 2
C31A C 0.109(2) 0.203(4) 0.1788(15) 0.11(3) Uani 0.308(13) 1 d D . P A 2
H31A H 0.0941 0.1604 0.1984 0.128 Uiso 0.308(13) 1 calc R U P A 2
C32A C 0.0865(18) 0.191(4) 0.1214(16) 0.056(17) Uani 0.308(13) 1 d D . P A 2
C33A C 0.0478(11) 0.101(2) 0.0971(12) 0.09(2) Uiso 0.308(13) 1 d D . P A 2
O5A O 0.174(2) 0.329(5) 0.189(2) 0.07(2) Uiso 0.308(13) 1 d D . P A 2
O6A O 0.1036(13) 0.258(4) 0.0909(17) 0.12(3) Uani 0.308(13) 1 d D . P A 2
F13A F 0.1763(7) 0.3396(15) 0.3035(10) 0.034(6) Uani 0.308(13) 1 d D . P A 2
F14A F 0.2283(15) 0.249(4) 0.287(2) 0.11(2) Uani 0.308(13) 1 d D . P A 2
F15A F 0.1730(10) 0.1696(19) 0.3035(13) 0.057(7) Uiso 0.308(13) 1 d D . P A 2
F16A F 0.0274(12) 0.047(3) 0.1285(12) 0.073(9) Uani 0.308(13) 1 d D . P A 2
F17A F 0.0093(12) 0.154(2) 0.0596(16) 0.19(4) Uani 0.308(13) 1 d D . P A 2
F18A F 0.0656(13) 0.033(2) 0.0703(14) 0.16(2) Uani 0.308(13) 1 d D . P A 2
C50 C -0.0154(13) 0.2650 0.2386 0.090(13) Uani 0.5 1 d . . P . .
H50A H 0.0010 0.2047 0.2577 0.135 Uiso 0.5 1 d R U P . .
H50B H -0.0442 0.2860 0.2451 0.135 Uiso 0.5 1 d R U P . .
H50C H 0.0052 0.3198 0.2353 0.135 Uiso 0.5 1 d R U P . .
C51 C -0.0394(18) 0.223(3) 0.1795(12) 0.128(15) Uani 0.5 1 d . . P . .
H51A H -0.0124 0.2136 0.1656 0.154 Uiso 0.5 1 calc R U P . .
H51B H -0.0532 0.1527 0.1812 0.154 Uiso 0.5 1 calc R U P . .
C52 C -0.0790(11) 0.2852(18) 0.1393(9) 0.063(6) Uani 0.5 1 d . . P . .
H52A H -0.0639 0.3511 0.1330 0.076 Uiso 0.5 1 calc R U P . .
H52B H -0.1036 0.3045 0.1556 0.076 Uiso 0.5 1 calc R U P . .
C53 C -0.1070(12) 0.236(2) 0.0850(12) 0.085(8) Uani 0.5 1 d . . P . .
H53A H -0.0823 0.2151 0.0692 0.102 Uiso 0.5 1 calc R U P . .
H53B H -0.1224 0.1702 0.0914 0.102 Uiso 0.5 1 calc R U P . .
C54 C -0.1472(10) 0.2979(19) 0.0428(11) 0.065(6) Uani 0.5 1 d . . P . .
H54A H -0.1317 0.3637 0.0370 0.078 Uiso 0.5 1 calc R U P . .
H54B H -0.1719 0.3177 0.0587 0.078 Uiso 0.5 1 calc R U P . .
C55 C 0.1770(12) 0.7511(18) 0.0151(10) 0.072(8) Uani 0.5 1 d . . P . .
H55A H 0.1918 0.8180 0.0095 0.086 Uiso 0.5 1 calc R U P . .
H55B H 0.1526 0.7685 0.0318 0.086 Uiso 0.5 1 calc R U P . .
C56 C 0.2147(10) 0.692(2) 0.0522(13) 0.083(9) Uani 0.5 1 d . . P . .
H56A H 0.2298 0.7322 0.0860 0.124 Uiso 0.5 1 calc R U P . .
H56B H 0.2008 0.6268 0.0596 0.124 Uiso 0.5 1 calc R U P . .
H56C H 0.2401 0.6765 0.0372 0.124 Uiso 0.5 1 calc R U P . .
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'
F F 0.0171 0.0103 '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'
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
O2 Dy1A O3 102.4(4) . .
O2 Dy1A O4 71.2(5) . .
O3 Dy1A O4 72.6(3) . .
O2 Dy1A O6B 136.8(5) . .
O3 Dy1A O6B 85.6(4) . .
O4 Dy1A O6B 71.2(5) . .
O2 Dy1A O5B 151.8(5) . .
O3 Dy1A O5B 75.2(5) . .
O4 Dy1A O5B 131.7(5) . .
O6B Dy1A O5B 71.4(5) . .
O2 Dy1A O1 72.0(3) . .
O3 Dy1A O1 74.6(3) . .
O4 Dy1A O1 122.8(4) . .
O6B Dy1A O1 149.0(4) . .
O5B Dy1A O1 80.5(5) . .
O2 Dy1A N2 72.2(3) . .
O3 Dy1A N2 154.1(3) . .
O4 Dy1A N2 81.9(3) . .
O6B Dy1A N2 82.3(3) . .
O5B Dy1A N2 121.6(5) . .
O1 Dy1A N2 124.8(3) . .
O2 Dy1A N1 94.2(4) . .
O3 Dy1A N1 141.8(3) . .
O4 Dy1A N1 145.6(3) . .
O6B Dy1A N1 105.3(4) . .
O5B Dy1A N1 74.1(5) . .
O1 Dy1A N1 78.3(3) . .
N2 Dy1A N1 63.9(3) . .
O1 Dy2A O2 87.7(7) . .
O1 Dy2A O5A 80.0(13) . .
O2 Dy2A O5A 165.9(15) . .
O1 Dy2A N1 94.1(7) . .
O2 Dy2A N1 110.4(8) . .
O5A Dy2A N1 77.5(15) . .
O1 Dy2A O6A 140.2(11) . .
O2 Dy2A O6A 114.7(13) . .
O5A Dy2A O6A 72.3(18) . .
N1 Dy2A O6A 106.8(10) . .
O1 Dy2A O3 77.8(4) . .
O2 Dy2A O3 103.9(5) . .
O5A Dy2A O3 67.0(16) . .
N1 Dy2A O3 144.5(5) . .
O6A Dy2A O3 65.4(10) . .
O1 Dy2A N2 146.2(10) . .
O2 Dy2A N2 75.1(4) . .
O5A Dy2A N2 119.0(15) . .
N1 Dy2A N2 66.3(3) . .
O6A Dy2A N2 73.5(10) . .
O3 Dy2A N2 134.0(8) . .
O1 Dy2A O4 126.2(4) . .
O2 Dy2A O4 68.3(5) . .
O5A Dy2A O4 114.0(15) . .
N1 Dy2A O4 138.9(5) . .
O6A Dy2A O4 48.7(12) . .
O3 Dy2A O4 63.7(4) . .
N2 Dy2A O4 74.2(4) . .
O1 Dy2A C20 18.7(4) . .
O2 Dy2A C20 69.0(6) . .
O5A Dy2A C20 98.7(13) . .
N1 Dy2A C20 99.4(8) . .
O6A Dy2A C20 149.4(10) . .
O3 Dy2A C20 84.0(4) . .
N2 Dy2A C20 133.3(8) . .
O4 Dy2A C20 116.4(5) . .
O1 Dy2A C22 68.2(6) . .
O2 Dy2A C22 19.5(5) . .
O5A Dy2A C22 147.5(14) . .
N1 Dy2A C22 110.2(10) . .
O6A Dy2A C22 130.3(12) . .
O3 Dy2A C22 98.8(6) . .
N2 Dy2A C22 92.2(5) . .
O4 Dy2A C22 81.6(6) . .
C20 Dy2A C22 49.4(5) . .
N1 C1 C2 122.5(11) . .
C3 C2 C1 119.7(12) . .
C2 C3 C4 118.1(12) . .
C3 C4 C5 121.0(12) . .
N1 C5 C4 119.7(10) . .
N1 C5 C6 115.9(10) . .
C4 C5 C6 124.3(11) . .
N2 C6 C7 120.3(10) . .
N2 C6 C5 117.9(10) . .
C7 C6 C5 121.7(11) . .
C8 C7 C6 119.9(11) . .
C7 C8 C9 119.6(10) . .
C8 C9 C10 117.1(10) . .
C8 C9 C11 123.4(10) . .
C10 C9 C11 119.5(10) . .
N2 C10 C9 123.3(10) . .
C12 C11 C9 128.7(9) . .
C12 C11 S1 110.2(8) . .
C9 C11 S1 121.0(8) . .
C11 C12 C13 115.0(9) . .
C14 C13 C12 110.9(9) . .
C14 C13 C16 125.1(9) . .
C12 C13 C16 124.0(9) . .
C13 C14 C15 129.0(10) . .
C13 C14 S1 111.5(7) . .
C15 C14 S1 119.4(8) . .
C16 C16 C13 128.4(6) 2_554 .
C16 C16 C17 111.2(7) 2_554 .
C13 C16 C17 120.3(10) . .
C18 C17 C16 105.0(11) . .
C17 C18 C17 107.4(14) 2_554 .
C1 N1 C5 119.0(10) . .
C1 N1 Dy2A 116.6(8) . .
C5 N1 Dy2A 124.3(7) . .
C1 N1 Dy1A 120.4(7) . .
C5 N1 Dy1A 119.9(7) . .
C10 N2 C6 119.7(9) . .
C10 N2 Dy1A 118.4(7) . .
C6 N2 Dy1A 121.8(7) . .
C10 N2 Dy2A 124.0(7) . .
C6 N2 Dy2A 114.1(7) . .
C11 S1 C14 92.4(5) . .
F2 C19 F3 109.5(11) . .
F2 C19 F1 107.2(11) . .
F3 C19 F1 106.6(13) . .
F2 C19 C20 111.4(13) . .
F3 C19 C20 111.6(11) . .
F1 C19 C20 110.3(11) . .
O1 C20 C21 127.1(15) . .
O1 C20 C19 114.6(12) . .
C21 C20 C19 116.9(13) . .
O1 C20 Dy2A 31.2(6) . .
C21 C20 Dy2A 96.3(10) . .
C19 C20 Dy2A 145.7(9) . .
C22 C21 C20 118.8(17) . .
O2 C22 C21 128.8(15) . .
O2 C22 C23 111.7(16) . .
C21 C22 C23 118.5(16) . .
O2 C22 Dy2A 34.0(7) . .
C21 C22 Dy2A 94.8(11) . .
C23 C22 Dy2A 145.3(13) . .
F4 C23 F6 112(3) . .
F4 C23 F5 104(3) . 7
F6 C23 F5 104.9(19) . 7
F4 C23 C22 116.0(19) . .
F6 C23 C22 107(2) . .
F5 C23 C22 112(2) 7 .
C20 O1 Dy2A 130.0(9) . .
C20 O1 Dy1A 134.9(9) . .
C22 O2 Dy2A 126.4(11) . .
C22 O2 Dy1A 136.0(10) . .
F8 C24 F7 109.0(14) . .
F8 C24 F9 105.9(11) . .
F7 C24 F9 106.3(14) . .
F8 C24 C25 111.9(14) . .
F7 C24 C25 112.3(11) . .
F9 C24 C25 111.1(13) . .
O3 C25 C26 126.4(12) . .
O3 C25 C24 112.8(11) . .
C26 C25 C24 120.9(12) . .
C25 C26 C27 122.0(13) . .
O4 C27 C26 127.1(13) . .
O4 C27 C28 111.5(13) . .
C26 C27 C28 121.4(13) . .
F11 C28 F10 108(2) . .
F11 C28 F12 107.3(16) . .
F10 C28 F12 109(2) . .
F11 C28 C27 114.1(18) . .
F10 C28 C27 111.6(15) . .
F12 C28 C27 106.8(18) . .
C25 O3 Dy1A 133.2(7) . .
C25 O3 Dy2A 142.3(8) . .
C27 O4 Dy1A 132.4(9) . .
C27 O4 Dy2A 137.4(9) . .
F13B C29B F15B 114(2) . .
F13B C29B F14B 112(2) . .
F15B C29B F14B 106.0(19) . .
F13B C29B C30B 108(2) . .
F15B C29B C30B 109(2) . .
F14B C29B C30B 106.4(17) . .
O5B C30B C31B 124.0(18) . .
O5B C30B C29B 113.2(17) . .
C31B C30B C29B 122.3(16) . .
C32B C31B C30B 123.6(18) . .
O6B C32B C31B 126.4(16) . .
O6B C32B C33B 113.0(16) . .
C31B C32B C33B 119.8(16) . .
F16B C33B F17B 113(2) . .
F16B C33B F18B 105(2) . .
F17B C33B F18B 105.0(18) . .
F16B C33B C32B 109.5(19) . .
F17B C33B C32B 106.2(18) . .
F18B C33B C32B 117.4(18) . .
C30B O5B Dy1A 130.4(13) . .
C32B O6B Dy1A 131.0(11) . .
F14A C29A F13A 99(2) . .
F14A C29A F15A 99(2) . .
F13A C29A F15A 105(2) . .
F14A C29A C30A 113(4) . .
F13A C29A C30A 114(3) . .
F15A C29A C30A 124(3) . .
O5A C30A C31A 121(3) . .
O5A C30A C29A 110(3) . .
C31A C30A C29A 126(3) . .
C30A C31A C32A 131(3) . .
O6A C32A C31A 116(3) . .
O6A C32A C33A 125(3) . .
C31A C32A C33A 119(3) . .
F18A C33A F17A 108(3) . .
F18A C33A F16A 110(3) . .
F17A C33A F16A 106(3) . .
F18A C33A C32A 110(3) . .
F17A C33A C32A 101(3) . .
F16A C33A C32A 121(3) . .
C30A O5A Dy2A 139(4) . .
C32A O6A Dy2A 139(3) . .
C50 C50 C51 131(5) 2 .
C52 C51 C50 119(3) . .
C51 C52 C53 118(2) . .
C54 C53 C52 119(2) . .
C53 C54 C55 120(2) . 5_565
C56 C55 C54 118(2) . 5_565
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1A O2 2.303(9) .
Dy1A O3 2.324(8) .
Dy1A O4 2.336(9) .
Dy1A O6B 2.338(15) .
Dy1A O5B 2.372(17) .
Dy1A O1 2.385(9) .
Dy1A N2 2.505(8) .
Dy1A N1 2.563(9) .
Dy2A O1 1.949(16) .
Dy2A O2 2.027(14) .
Dy2A O5A 2.29(5) .
Dy2A N1 2.313(13) .
Dy2A O6A 2.34(4) .
Dy2A O3 2.536(16) .
Dy2A N2 2.576(9) .
Dy2A O4 2.685(17) .
Dy2A C20 2.88(2) .
Dy2A C22 2.91(2) .
C1 N1 1.345(14) .
C1 C2 1.389(17) .
C2 C3 1.370(18) .
C3 C4 1.384(18) .
C4 C5 1.404(17) .
C5 N1 1.362(14) .
C5 C6 1.453(15) .
C6 N2 1.345(14) .
C6 C7 1.394(16) .
C7 C8 1.386(16) .
C8 C9 1.387(16) .
C9 C10 1.394(15) .
C9 C11 1.467(15) .
C10 N2 1.335(13) .
C11 C12 1.370(15) .
C11 S1 1.726(10) .
C12 C13 1.422(14) .
C13 C14 1.391(14) .
C13 C16 1.457(15) .
C14 C15 1.504(13) .
C14 S1 1.733(11) .
C16 C16 1.31(2) 2_554
C16 C17 1.500(15) .
C17 C18 1.490(17) .
C18 C17 1.490(17) 2_554
C19 F2 1.271(16) .
C19 F3 1.323(15) .
C19 F1 1.337(16) .
C19 C20 1.58(2) .
C20 O1 1.209(14) .
C20 C21 1.41(2) .
C21 C22 1.41(2) .
C22 O2 1.211(17) .
C22 C23 1.57(3) .
C23 F4 1.30(3) .
C23 F6 1.36(3) .
C23 F5 1.41(3) 7
F5 C23 1.41(3) 7
C24 F8 1.313(18) .
C24 F7 1.337(16) .
C24 F9 1.374(19) .
C24 C25 1.489(19) .
C25 O3 1.294(15) .
C25 C26 1.372(18) .
C26 C27 1.379(19) .
C27 O4 1.262(16) .
C27 C28 1.53(2) .
C28 F11 1.27(2) .
C28 F10 1.30(2) .
C28 F12 1.43(3) .
C29B F13B 1.280(17) .
C29B F15B 1.286(16) .
C29B F14B 1.325(17) .
C29B C30B 1.491(17) .
C30B O5B 1.334(16) .
C30B C31B 1.371(17) .
C31B C32B 1.349(17) .
C32B O6B 1.330(16) .
C32B C33B 1.507(17) .
C33B F16B 1.293(18) .
C33B F17B 1.307(18) .
C33B F18B 1.319(16) .
C29A F14A 1.34(2) .
C29A F13A 1.340(19) .
C29A F15A 1.346(19) .
C29A C30A 1.524(19) .
C30A O5A 1.340(19) .
C30A C31A 1.380(18) .
C31A C32A 1.394(19) .
C32A O6A 1.37(2) .
C32A C33A 1.53(2) .
C33A F18A 1.315(19) .
C33A F17A 1.34(2) .
C33A F16A 1.35(2) .
C50 C50 0.85(6) 2
C50 C51 1.52(3) .
C51 C52 1.44(4) .
C52 C53 1.47(4) .
C53 C54 1.47(4) .
C54 C55 1.55(3) 5_565
C55 C56 1.36(4) .
C55 C54 1.55(3) 5_565
