#------------------------------------------------------------------------------
#$Date: 2017-07-01 04:32:08 +0300 (Sat, 01 Jul 2017) $
#$Revision: 198297 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/64/1546437.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_1546437
loop_
_publ_author_name
'Chen, Chia-Hsiang'
'Krylov, Denis'
'Avdoshenko, Stanislav'
'Liu, Fupin'
'Spree, Lukas'
'Yadav, Ravi'
'Alvertis, Antonis'
'Hozoi, Liviu'
'Nenkov, Konstantin'
'Kostanyan, Aram'
'Greber, Thomas'
'Wolter, A.'
'Popov, Alexey A.'
_publ_section_title
;
 Selective arc-discharge synthesis of Dy2S-clusterfullerenes and their
 isomer-dependent single molecule magnetism
;
_journal_name_full               'Chem. Sci.'
_journal_paper_doi               10.1039/C7SC02395B
_journal_year                    2017
_chemical_formula_moiety         ;Dy2S@Cs(6)-C82/Ni(OEP)/2(C7H8);
_chemical_formula_sum            'C132 H59 Dy2 N4 Ni S'
_chemical_formula_weight         2116.60
_chemical_name_common            ;Dy2S@Cs(6)-C82/Ni(OEP)/2(C7H8);
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2017-04-28 deposited with the CCDC.
2017-06-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.13(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.340(5)
_cell_length_b                   14.770(3)
_cell_length_c                   20.550(4)
_cell_measurement_reflns_used    58704
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29
_cell_measurement_theta_min      1.05
_cell_volume                     7632(3)
_computing_cell_refinement       XDS
_computing_data_collection       XDS
_computing_data_reduction        XDS
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.955
_diffrn_measured_fraction_theta_max 0.857
_diffrn_measurement_device_type  MAR225CCD
_diffrn_measurement_method       'phi scan'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.89429
_diffrn_reflns_av_R_equivalents  0.1425
_diffrn_reflns_av_unetI/netI     0.0827
_diffrn_reflns_Laue_measured_fraction_full 0.955
_diffrn_reflns_Laue_measured_fraction_max 0.857
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            58704
_diffrn_reflns_point_group_measured_fraction_full 0.955
_diffrn_reflns_point_group_measured_fraction_max 0.857
_diffrn_reflns_theta_full        32.451
_diffrn_reflns_theta_max         37.008
_diffrn_reflns_theta_min         1.257
_diffrn_source                   'BESSY BL MX-14.3'
_exptl_absorpt_coefficient_mu    4.078
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.842
_exptl_crystal_description       block
_exptl_crystal_F_000             4220
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.432
_refine_diff_density_min         -1.731
_refine_diff_density_rms         0.253
_refine_ls_extinction_coef       0.0048(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/6 (Sheldrick 2016)'
_refine_ls_goodness_of_fit_ref   1.449
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1046
_refine_ls_number_reflns         8689
_refine_ls_number_restraints     1283
_refine_ls_restrained_S_all      1.864
_refine_ls_R_factor_all          0.1679
_refine_ls_R_factor_gt           0.1181
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3275
_refine_ls_wR_factor_ref         0.3635
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5751
_reflns_number_total             8689
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7sc02395b2.cif
_cod_data_source_block           shelx
_cod_database_code               1546437
_shelx_shelxl_version_number     2016/6
_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'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1P Ni 0.51506(5) 1.000000 0.42024(6) 0.0160(4) Uani 1 2 d S T P A 1
N1P N 0.5764(3) 1.000000 0.4890(4) 0.0186(17) Uani 1 2 d S T P A 1
N2P N 0.5157(2) 0.8673(4) 0.4191(3) 0.0205(13) Uani 1 1 d . . . A 1
N3P N 0.4561(4) 1.000000 0.3488(4) 0.0227(19) Uani 1 2 d S T P A 1
C1P C 0.6474(3) 0.9539(5) 0.5639(3) 0.0246(16) Uani 1 1 d . . . A 1
C2P C 0.6032(3) 0.9259(5) 0.5173(3) 0.0205(15) Uani 1 1 d . . . A 1
C3P C 0.5903(3) 0.8375(5) 0.5032(4) 0.0243(16) Uani 1 1 d . . . A 1
H3P H 0.609649 0.792870 0.527446 0.029 Uiso 1 1 calc R U . A 1
C4P C 0.5504(3) 0.8102(4) 0.4553(4) 0.0218(15) Uani 1 1 d . . . A 1
C5P C 0.5388(3) 0.7167(5) 0.4392(4) 0.0306(18) Uani 1 1 d . . . A 1
C6P C 0.4972(3) 0.7169(5) 0.3926(4) 0.0299(18) Uani 1 1 d . . . A 1
C7P C 0.4823(3) 0.8107(5) 0.3784(4) 0.0233(16) Uani 1 1 d . . . A 1
C8P C 0.4433(3) 0.8371(5) 0.3331(4) 0.0244(16) Uani 1 1 d . . . A 1
H8P H 0.422403 0.792656 0.310590 0.029 Uiso 1 1 calc R U . A 1
C9P C 0.4319(3) 0.9251(5) 0.3177(3) 0.0197(15) Uani 1 1 d . . . A 1
C10P C 0.3916(3) 0.9546(5) 0.2648(4) 0.0254(16) Uani 1 1 d . . . A 1
C11P C 0.3596(3) 0.8899(5) 0.2182(4) 0.0302(18) Uani 1 1 d . . . A 1
H11A H 0.328830 0.921131 0.195995 0.036 Uiso 1 1 calc R U . A 1
H11B H 0.346987 0.840072 0.242908 0.036 Uiso 1 1 calc R U . A 1
C12P C 0.3937(4) 0.8521(7) 0.1666(4) 0.043(2) Uani 1 1 d . . . A 1
H12A H 0.372628 0.811347 0.137673 0.064 Uiso 1 1 calc R U . A 1
H12B H 0.405742 0.901266 0.141639 0.064 Uiso 1 1 calc R U . A 1
H12C H 0.423874 0.820318 0.188487 0.064 Uiso 1 1 calc R U . A 1
C13P C 0.4703(4) 0.6394(5) 0.3536(5) 0.039(2) Uani 1 1 d . . . A 1
H13A H 0.432152 0.648346 0.349561 0.047 Uiso 1 1 calc R U . A 1
H13B H 0.478323 0.583622 0.377812 0.047 Uiso 1 1 calc R U . A 1
C14P C 0.4868(4) 0.6286(7) 0.2856(6) 0.056(3) Uani 1 1 d . . . A 1
H14A H 0.468149 0.578228 0.263948 0.083 Uiso 1 1 calc R U . A 1
H14B H 0.478141 0.682787 0.260726 0.083 Uiso 1 1 calc R U . A 1
H14C H 0.524372 0.617977 0.289014 0.083 Uiso 1 1 calc R U . A 1
C15P C 0.5709(4) 0.6371(5) 0.4699(6) 0.044(2) Uani 1 1 d . . . A 1
H15A H 0.551996 0.581333 0.457536 0.053 Uiso 1 1 calc R U . A 1
H15B H 0.573945 0.642254 0.517304 0.053 Uiso 1 1 calc R U . A 1
C16P C 0.6270(4) 0.6320(6) 0.4487(6) 0.055(3) Uani 1 1 d . . . A 1
H16A H 0.645585 0.580836 0.469210 0.082 Uiso 1 1 calc R U . A 1
H16B H 0.624208 0.625519 0.401875 0.082 Uiso 1 1 calc R U . A 1
H16C H 0.646156 0.686435 0.461639 0.082 Uiso 1 1 calc R U . A 1
C17P C 0.6876(3) 0.8904(5) 0.5997(4) 0.0274(17) Uani 1 1 d . . . A 1
H17A H 0.669309 0.837973 0.614559 0.033 Uiso 1 1 calc R U . A 1
H17B H 0.705638 0.920693 0.637983 0.033 Uiso 1 1 calc R U . A 1
C18P C 0.7283(3) 0.8593(6) 0.5562(4) 0.0346(19) Uani 1 1 d . . . A 1
H18A H 0.753183 0.819091 0.580377 0.052 Uiso 1 1 calc R U . A 1
H18B H 0.710527 0.828322 0.518608 0.052 Uiso 1 1 calc R U . A 1
H18C H 0.746824 0.910970 0.542012 0.052 Uiso 1 1 calc R U . A 1
C1A C 0.7538(9) 0.7726(18) 0.2770(11) 0.047(6) Uani 0.5 1 d D U P B 2
C2A C 0.7408(8) 0.7437(13) 0.2024(9) 0.039(5) Uani 0.5 1 d D U P B 2
C3A C 0.6884(7) 0.7186(13) 0.1876(9) 0.037(4) Uani 0.5 1 d D U P B 2
C4A C 0.6656(9) 0.7288(16) 0.2482(10) 0.054(5) Uani 0.5 1 d D U P B 2
C5A C 0.7086(8) 0.7677(18) 0.2971(12) 0.052(6) Uani 0.5 1 d D U P B 2
C6A C 0.6952(7) 0.8350(12) 0.3505(10) 0.050(5) Uani 0.5 1 d D U P B 2
C7A C 0.6407(6) 0.8580(9) 0.3520(7) 0.055(5) Uani 0.5 1 d D U P B 2
C8A C 0.5945(6) 0.8258(11) 0.2981(8) 0.051(4) Uani 0.5 1 d D U P B 2
C9A C 0.6091(7) 0.7590(15) 0.2458(9) 0.047(4) Uani 0.5 1 d D U P B 2
C10A C 0.5800(7) 0.7733(15) 0.1812(11) 0.042(4) Uani 0.5 1 d D U P B 2
C11A C 0.6030(9) 0.7614(19) 0.1219(10) 0.042(5) Uani 0.5 1 d D U P B 2
C12A C 0.6601(6) 0.7344(11) 0.1241(8) 0.043(4) Uani 0.5 1 d D U P B 2
C13A C 0.6890(6) 0.7676(11) 0.0743(7) 0.039(4) Uani 0.5 1 d D U P B 2
C14A C 0.7424(6) 0.7908(13) 0.0864(9) 0.036(4) Uani 0.5 1 d D U P B 2
C15A C 0.7701(6) 0.7832(10) 0.1556(7) 0.036(3) Uani 0.5 1 d D U P B 2
C16A C 0.8136(6) 0.8491(11) 0.1755(10) 0.039(5) Uani 0.5 1 d D U P B 2
C17A C 0.8275(5) 0.8757(8) 0.2424(7) 0.023(3) Uani 0.5 1 d D U P B 2
C18A C 0.7924(9) 0.8365(12) 0.2990(9) 0.056(5) Uani 0.5 1 d D U P B 2
C19A C 0.7849(5) 0.8959(9) 0.3478(7) 0.058(5) Uani 0.5 1 d D U P B 2
C20A C 0.7325(5) 0.8956(8) 0.3729(7) 0.052(5) Uani 0.5 1 d D U P B 2
C21A C 0.7207(5) 1.000000 0.3951(6) 0.078(4) Uani 1 2 d DS TU P B 2
C22A C 0.7666(5) 1.0512(7) 0.3825(7) 0.064(5) Uani 0.5 1 d D U P B 2
C23A C 0.8074(5) 1.000000 0.3529(7) 0.077(5) Uani 1 2 d DS TU P B 2
C24A C 0.8329(5) 1.000000 0.3143(7) 0.068(4) Uani 1 2 d DS TU P B 2
C25A C 0.8276(7) 1.0996(10) 0.2898(8) 0.072(5) Uani 0.5 1 d D U P B 2
C26A C 0.7867(9) 1.1608(12) 0.3097(11) 0.065(6) Uani 0.5 1 d D U P B 2
C27A C 0.7571(6) 1.1249(9) 0.3605(8) 0.046(5) Uani 0.5 1 d D U P B 2
C28A C 0.7046(6) 1.1679(11) 0.3555(10) 0.050(5) Uani 0.5 1 d D U P B 2
C29A C 0.7018(8) 1.2326(16) 0.3010(10) 0.034(5) Uani 0.5 1 d D U P B 2
C30A C 0.7523(10) 1.2270(18) 0.2719(11) 0.042(6) Uani 0.5 1 d D U P B 2
C31A C 0.7602(10) 1.2323(13) 0.2100(12) 0.041(4) Uani 0.5 1 d . U P B 2
C32A C 0.7095(11) 1.2623(13) 0.1726(11) 0.045(4) Uani 0.5 1 d . U P B 2
C33A C 0.6652(7) 1.2748(12) 0.1992(9) 0.043(4) Uani 0.5 1 d D U P B 2
C34A C 0.6641(8) 1.2502(14) 0.2703(9) 0.043(4) Uani 0.5 1 d D U P B 2
C35A C 0.6122(7) 1.2054(12) 0.2765(8) 0.039(4) Uani 0.5 1 d D U P B 2
C36A C 0.5788(8) 1.2138(15) 0.2113(9) 0.050(5) Uani 0.5 1 d D U P B 2
C37A C 0.6120(8) 1.2529(12) 0.1635(8) 0.050(4) Uani 0.5 1 d D U P B 2
C38A C 0.6110(12) 1.229(2) 0.1003(13) 0.050(5) Uani 0.5 1 d . U P B 2
C39A C 0.5694(12) 1.160(2) 0.0790(15) 0.050(6) Uani 0.5 1 d . U P B 2
C40A C 0.5348(9) 1.1157(13) 0.1278(10) 0.049(5) Uani 0.5 1 d D U P B 2
C41A C 0.5446(14) 1.1487(16) 0.1926(10) 0.049(6) Uani 0.5 1 d D U P B 2
C42A C 0.5315(10) 1.0799(11) 0.2343(8) 0.049(6) Uani 0.5 1 d D U P B 2
C43A C 0.5213(5) 1.000000 0.1969(6) 0.051(3) Uani 1 2 d DS TU P B 2
C44A C 0.5184(6) 1.0250(9) 0.1306(8) 0.048(5) Uani 0.5 1 d D U P B 2
C45A C 0.5309(8) 0.9598(14) 0.0843(11) 0.050(4) Uani 0.5 1 d . U P B 2
C46A C 0.5438(9) 0.8689(16) 0.1026(12) 0.040(5) Uani 0.5 1 d . U P B 2
C47A C 0.5464(13) 0.842(2) 0.1703(15) 0.046(5) Uani 0.5 1 d . U P B 2
C48A C 0.5405(11) 0.9154(17) 0.2219(12) 0.050(5) Uani 0.5 1 d D U P B 2
C49A C 0.5585(6) 0.9094(9) 0.2771(7) 0.063(5) Uani 0.5 1 d D U P B 2
C50A C 0.6325(6) 0.9600(9) 0.3639(7) 0.072(5) Uani 0.5 1 d D U P B 2
C51A C 0.5734(8) 1.0615(14) 0.2998(10) 0.051(5) Uani 0.5 1 d D U P B 2
C52A C 0.6132(8) 1.1329(15) 0.3173(11) 0.042(4) Uani 0.5 1 d . U P B 2
C53A C 0.6614(6) 1.1021(11) 0.3587(9) 0.046(4) Uani 0.5 1 d D U P B 2
C54A C 0.6714(5) 1.000000 0.3788(7) 0.052(3) Uani 1 2 d DS TU P B 2
C55A C 0.8490(4) 1.000000 0.2039(8) 0.086(5) Uani 1 2 d DS TU P B 2
C56A C 0.8409(4) 1.000000 0.1451(6) 0.051(3) Uani 1 2 d DS TU P B 2
C57A C 0.8127(7) 1.0605(8) 0.0960(8) 0.056(5) Uani 0.5 1 d D U P B 2
C58A C 0.7911(9) 1.1530(12) 0.1139(10) 0.049(4) Uani 0.5 1 d . U P B 2
C59A C 0.7463(8) 1.1792(16) 0.0762(12) 0.058(5) Uani 0.5 1 d D U P B 2
C60A C 0.7162(7) 1.1341(16) 0.0165(12) 0.070(6) Uani 0.5 1 d D U P B 2
C61A C 0.7296(8) 1.0468(11) 0.0074(9) 0.062(5) Uani 0.5 1 d D U P B 2
C62A C 0.7853(6) 1.000000 0.0455(6) 0.067(4) Uani 1 2 d DS TU P B 2
C63A C 0.7914(7) 0.9124(9) 0.0638(7) 0.067(5) Uani 0.5 1 d D U P B 2
C64A C 0.7510(6) 0.8562(11) 0.0409(8) 0.052(4) Uani 0.5 1 d D U P B 2
C65A C 0.7030(5) 0.8827(11) 0.0098(8) 0.056(5) Uani 0.5 1 d D U P B 2
C66A C 0.6905(6) 1.000000 -0.0157(6) 0.076(4) Uani 1 2 d DS TU P B 2
C67A C 0.6392(5) 1.000000 -0.0121(5) 0.064(4) Uani 1 2 d DS TU P B 2
C68A C 0.5969(6) 0.9448(8) 0.0033(7) 0.053(5) Uani 0.5 1 d D U P B 2
C69A C 0.6099(7) 0.8584(12) 0.0224(7) 0.041(4) Uani 0.5 1 d D U P B 2
C70A C 0.6660(6) 0.8249(10) 0.0253(8) 0.042(5) Uani 0.5 1 d D U P B 2
C71A C 0.6539(8) 1.2258(13) 0.0679(9) 0.057(5) Uani 0.5 1 d D U P B 2
C72A C 0.7073(9) 1.2394(13) 0.1047(10) 0.060(5) Uani 0.5 1 d D U P B 2
C73A C 0.8026(10) 1.1764(17) 0.1868(12) 0.046(5) Uani 0.5 1 d . U P B 2
C74A C 0.5821(6) 1.000000 0.3179(6) 0.078(5) Uani 1 2 d DS TU P B 2
C75A C 0.8376(7) 1.0983(11) 0.2214(8) 0.077(6) Uani 0.5 1 d D U P B 2
C76A C 0.8452(5) 0.9487(8) 0.2580(6) 0.058(5) Uani 0.5 1 d D U P B 2
C77A C 0.8209(5) 0.9083(9) 0.1290(7) 0.055(4) Uani 0.5 1 d D U P B 2
C78A C 0.6587(8) 1.1569(14) 0.0147(11) 0.060(6) Uani 0.5 1 d D U P B 2
C79A C 0.6232(7) 1.0941(10) -0.0052(11) 0.069(5) Uani 0.5 1 d D U P B 2
C80A C 0.5760(7) 1.0932(10) 0.0269(10) 0.059(5) Uani 0.5 1 d D U P B 2
C81A C 0.5607(5) 1.000000 0.0346(7) 0.058(4) Uani 1 2 d DS TU P B 2
C82A C 0.5849(11) 0.819(2) 0.0696(16) 0.050(6) Uani 0.5 1 d . U P B 2
C1S C 0.6856(6) 0.500000 0.1850(7) 0.046(3) Uani 1 2 d S T P C 1
C2S C 0.7123(7) 0.500000 0.2500(7) 0.052(4) Uani 1 2 d S T P C 1
H2S H 0.749238 0.500000 0.257201 0.063 Uiso 1 2 calc R U P C 1
C3S C 0.6841(6) 0.500000 0.3007(8) 0.046(3) Uani 1 2 d S T P C 1
H3S H 0.702156 0.500000 0.342922 0.055 Uiso 1 2 calc R U P C 1
C4S C 0.6297(6) 0.500000 0.2931(7) 0.044(3) Uani 1 2 d S T P C 1
H4S H 0.611299 0.500000 0.329596 0.053 Uiso 1 2 calc R U P C 1
C5S C 0.6028(6) 0.500000 0.2314(7) 0.044(3) Uani 1 2 d S T P C 1
H5S H 0.565782 0.500000 0.225598 0.053 Uiso 1 2 calc R U P C 1
C6S C 0.6308(5) 0.500000 0.1763(8) 0.042(3) Uani 1 2 d S T P C 1
H6S H 0.612361 0.500000 0.134202 0.050 Uiso 1 2 calc R U P C 1
C7S C 0.7137(7) 0.500000 0.1290(7) 0.047(3) Uani 1 2 d S T P C 1
H7SA H 0.751287 0.500000 0.143080 0.071 Uiso 1 2 calc R U P C 1
H7SB H 0.704395 0.446930 0.103150 0.071 Uiso 0.5 1 calc R U P C 1
H7SC H 0.704395 0.553070 0.103150 0.071 Uiso 0.5 1 calc R U P C 1
Dy1 Dy 0.65926(7) 1.10463(7) 0.24057(7) 0.0264(5) Uani 0.348(2) 1 d . . P D 1
S1 S 0.7109(2) 0.9732(3) 0.2101(3) 0.0513(14) Uani 0.5 1 d . . P D 1
Dy2 Dy 0.66073(5) 0.94360(7) 0.09856(5) 0.0288(5) Uani 0.3425(17) 1 d . . P D 1
Dy3 Dy 0.7637(2) 1.000000 0.1801(3) 0.037(2) Uani 0.113(3) 2 d S T P E 3
Dy4 Dy 0.6041(3) 1.000000 0.1784(3) 0.050(3) Uani 0.106(3) 2 d S T P F 4
Dy5 Dy 0.6304(4) 0.9152(5) 0.2093(5) 0.056(3) Uani 0.088(2) 1 d . . P G 5
Dy6 Dy 0.7400(4) 1.000000 0.1298(5) 0.263(10) Uani 0.225(4) 2 d S T P H 6
C11S C 0.9814(5) 1.0005(13) 0.1129(5) 0.067(7) Uani 0.5 1 d G . P I -1
C12S C 0.9785(6) 0.9069(12) 0.1069(6) 0.078(9) Uani 0.5 1 d G . P I -1
H12S H 0.997754 0.870229 0.138102 0.093 Uiso 0.5 1 calc R U P I -1
C13S C 0.9467(7) 0.8680(8) 0.0543(8) 0.056(9) Uani 0.5 1 d G . P I -1
H13S H 0.944733 0.805291 0.050249 0.067 Uiso 0.5 1 calc R U P I -1
C14S C 0.9179(6) 0.9227(9) 0.0076(6) 0.049(5) Uani 0.5 1 d G . P I -1
H14S H 0.896626 0.896673 -0.027590 0.058 Uiso 0.5 1 calc R U P I -1
C15S C 0.9208(5) 1.0164(8) 0.0136(5) 0.031(6) Uani 0.5 1 d G . P I -1
H15S H 0.901542 1.052994 -0.017577 0.038 Uiso 0.5 1 calc R U P I -1
C16S C 0.9526(5) 1.0553(8) 0.0663(6) 0.041(4) Uani 0.5 1 d G . P I -1
C17S C 0.9554(13) 1.1582(16) 0.0731(15) 0.059(8) Uani 0.5 1 d . . P I -1
H17C H 0.978930 1.173891 0.111728 0.088 Uiso 0.5 1 calc R U P I -1
H17D H 0.968590 1.183706 0.035248 0.088 Uiso 0.5 1 calc R U P I -1
H17E H 0.920573 1.181712 0.076538 0.088 Uiso 0.5 1 calc R U P I -1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0060 0.0030 '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 0.0110 0.0050 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1760 0.1950 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.2530 1.6900 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.3790 6.5120 '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
N2P Ni1P N2P 178.2(4) 6_575 .
N2P Ni1P N3P 89.86(17) 6_575 .
N2P Ni1P N3P 89.86(17) . .
N2P Ni1P N1P 90.10(17) 6_575 .
N2P Ni1P N1P 90.10(17) . .
N3P Ni1P N1P 177.5(3) . .
C2P N1P C2P 105.2(8) . 6_575
C2P N1P Ni1P 127.4(4) . .
C2P N1P Ni1P 127.4(4) 6_575 .
C4P N2P C7P 104.9(6) . .
C4P N2P Ni1P 127.9(5) . .
C7P N2P Ni1P 127.0(5) . .
C9P N3P C9P 106.3(9) . 6_575
C9P N3P Ni1P 126.8(4) . .
C9P N3P Ni1P 126.8(4) 6_575 .
C1P C1P C2P 106.6(4) 6_575 .
C1P C1P C17P 128.5(4) 6_575 .
C2P C1P C17P 124.6(7) . .
C3P C2P N1P 125.2(7) . .
C3P C2P C1P 124.1(7) . .
N1P C2P C1P 110.8(6) . .
C2P C3P C4P 124.4(7) . .
C2P C3P H3P 117.8 . .
C4P C3P H3P 117.8 . .
N2P C4P C3P 124.9(6) . .
N2P C4P C5P 111.6(7) . .
C3P C4P C5P 123.6(7) . .
C6P C5P C4P 106.4(7) . .
C6P C5P C15P 129.3(7) . .
C4P C5P C15P 124.3(8) . .
C5P C6P C7P 107.9(7) . .
C5P C6P C13P 130.0(7) . .
C7P C6P C13P 121.8(8) . .
C8P C7P N2P 126.0(6) . .
C8P C7P C6P 124.9(7) . .
N2P C7P C6P 109.2(6) . .
C7P C8P C9P 124.2(7) . .
C7P C8P H8P 117.9 . .
C9P C8P H8P 117.9 . .
C8P C9P N3P 126.0(7) . .
C8P C9P C10P 124.5(7) . .
N3P C9P C10P 109.5(6) . .
C10P C10P C9P 107.3(4) 6_575 .
C10P C10P C11P 129.1(4) 6_575 .
C9P C10P C11P 123.5(7) . .
C10P C11P C12P 111.0(7) . .
C10P C11P H11A 109.4 . .
C12P C11P H11A 109.4 . .
C10P C11P H11B 109.4 . .
C12P C11P H11B 109.4 . .
H11A C11P H11B 108.0 . .
C11P C12P H12A 109.5 . .
C11P C12P H12B 109.5 . .
H12A C12P H12B 109.5 . .
C11P C12P H12C 109.5 . .
H12A C12P H12C 109.5 . .
H12B C12P H12C 109.5 . .
C6P C13P C14P 114.3(7) . .
C6P C13P H13A 108.7 . .
C14P C13P H13A 108.7 . .
C6P C13P H13B 108.7 . .
C14P C13P H13B 108.7 . .
H13A C13P H13B 107.6 . .
C13P C14P H14A 109.5 . .
C13P C14P H14B 109.5 . .
H14A C14P H14B 109.5 . .
C13P C14P H14C 109.5 . .
H14A C14P H14C 109.5 . .
H14B C14P H14C 109.5 . .
C5P C15P C16P 112.6(8) . .
C5P C15P H15A 109.1 . .
C16P C15P H15A 109.1 . .
C5P C15P H15B 109.1 . .
C16P C15P H15B 109.1 . .
H15A C15P H15B 107.8 . .
C15P C16P H16A 109.5 . .
C15P C16P H16B 109.5 . .
H16A C16P H16B 109.5 . .
C15P C16P H16C 109.5 . .
H16A C16P H16C 109.5 . .
H16B C16P H16C 109.5 . .
C1P C17P C18P 111.6(6) . .
C1P C17P H17A 109.3 . .
C18P C17P H17A 109.3 . .
C1P C17P H17B 109.3 . .
C18P C17P H17B 109.3 . .
H17A C17P H17B 108.0 . .
C17P C18P H18A 109.5 . .
C17P C18P H18B 109.5 . .
H18A C18P H18B 109.5 . .
C17P C18P H18C 109.5 . .
H18A C18P H18C 109.5 . .
H18B C18P H18C 109.5 . .
C30A C1A C5A 95(10) 6_575 .
C30A C1A C18A 116(10) 6_575 .
C5A C1A C18A 124.1(14) . .
C5A C1A C2A 102.3(16) . .
C18A C1A C2A 123.3(13) . .
C26A C1A C2A 133.6(19) 6_575 .
C29A C1A C2A 103(2) 6_575 .
C31A C2A C3A 160(4) 6_575 .
C31A C2A C15A 57(3) 6_575 .
C32A C2A C15A 94(2) 6_575 .
C3A C2A C15A 122.4(14) . .
C31A C2A C1A 62(3) 6_575 .
C32A C2A C1A 135(3) 6_575 .
C3A C2A C1A 111.3(16) . .
C15A C2A C1A 119.0(13) . .
C33A C3A C2A 139(3) 6_575 .
C33A C3A C12A 86(3) 6_575 .
C32A C3A C12A 82(3) 6_575 .
C2A C3A C12A 121.3(13) . .
C32A C3A C4A 138(3) 6_575 .
C2A C3A C4A 105.1(16) . .
C12A C3A C4A 124.1(13) . .
C34A C4A C3A 147(5) 6_575 .
C34A C4A C9A 72(3) 6_575 .
C33A C4A C9A 95.2(19) 6_575 .
C3A C4A C9A 119.1(13) . .
C29A C4A C9A 115.0(16) 6_575 .
C34A C4A C5A 50(3) 6_575 .
C33A C4A C5A 127(3) 6_575 .
C3A C4A C5A 106.3(18) . .
C9A C4A C5A 121.4(14) . .
C29A C5A C1A 175(10) 6_575 .
C34A C5A C1A 133.4(19) 6_575 .
C29A C5A C4A 71(10) 6_575 .
C1A C5A C4A 114.5(17) . .
C30A C5A C4A 110(2) 6_575 .
C29A C5A C6A 56(10) 6_575 .
C34A C5A C6A 100.7(15) 6_575 .
C1A C5A C6A 118.7(14) . .
C30A C5A C6A 122(2) 6_575 .
C4A C5A C6A 120.9(13) . .
C28A C6A C20A 52(6) 6_575 .
C53A C6A C20A 85.7(13) 6_575 .
C28A C6A C7A 155(8) 6_575 .
C20A C6A C7A 118.5(12) . .
C28A C6A C5A 84(6) 6_575 .
C53A C6A C5A 139.7(15) 6_575 .
C20A C6A C5A 117.6(12) . .
C7A C6A C5A 117.8(11) . .
C53A C7A C6A 63.7(17) 6_575 .
C52A C7A C6A 130.2(19) 6_575 .
C53A C7A C50A 49.0(16) 6_575 .
C52A C7A C50A 83.1(16) 6_575 .
C6A C7A C50A 112.7(10) . .
C53A C7A C8A 140(2) 6_575 .
C6A C7A C8A 123.3(10) . .
C50A C7A C8A 107.6(7) . .
C52A C8A C9A 129(2) 6_575 .
C35A C8A C49A 129.7(19) 6_575 .
C52A C8A C49A 80.4(18) 6_575 .
C9A C8A C49A 119.7(12) . .
C35A C8A C7A 98.2(17) 6_575 .
C9A C8A C7A 117.5(10) . .
C49A C8A C7A 108.2(7) . .
C35A C9A C10A 127(3) 6_575 .
C34A C9A C10A 134.4(14) 6_575 .
C35A C9A C4A 99.5(19) 6_575 .
C36A C9A C4A 138.5(18) 6_575 .
C10A C9A C4A 116.8(12) . .
C36A C9A C8A 90.5(17) 6_575 .
C34A C9A C8A 97.0(12) 6_575 .
C10A C9A C8A 114.0(16) . .
C4A C9A C8A 118.7(12) . .
C36A C10A C47A 80(3) 6_575 .
C37A C10A C47A 140(3) 6_575 .
C36A C10A C11A 157(4) 6_575 .
C47A C10A C11A 106(2) . .
C37A C10A C9A 86.2(18) 6_575 .
C47A C10A C9A 121(2) . .
C11A C10A C9A 123.2(14) . .
C38A C11A C82A 47(5) 6_575 .
C37A C11A C82A 155(3) 6_575 .
C38A C11A C10A 157(7) 6_575 .
C82A C11A C10A 117(2) . .
C38A C11A C12A 68(5) 6_575 .
C37A C11A C12A 77(2) 6_575 .
C82A C11A C12A 114(2) . .
C10A C11A C12A 120.2(15) . .
C38A C12A C13A 97.5(17) 6_575 .
C71A C12A C3A 152.3(15) 6_575 .
C72A C12A C3A 87.3(13) 6_575 .
C38A C12A C3A 135.5(16) 6_575 .
C13A C12A C3A 118.0(12) . .
C71A C12A C11A 80.9(16) 6_575 .
C72A C12A C11A 142.7(18) 6_575 .
C13A C12A C11A 118.0(16) . .
C3A C12A C11A 116.5(12) . .
C72A C13A C14A 52(2) 6_575 .
C71A C13A C14A 159(2) 6_575 .
C72A C13A C70A 150(3) 6_575 .
C71A C13A C70A 60.3(17) 6_575 .
C14A C13A C70A 106.9(8) . .
C72A C13A C12A 71(2) 6_575 .
C71A C13A C12A 63.1(17) 6_575 .
C14A C13A C12A 122.3(12) . .
C70A C13A C12A 121.9(14) . .
C72A C14A C64A 135.9(15) 6_575 .
C59A C14A C13A 112(3) 6_575 .
C64A C14A C13A 106.5(8) . .
C59A C14A C15A 111(4) 6_575 .
C72A C14A C15A 87.1(15) 6_575 .
C64A C14A C15A 126.5(15) . .
C13A C14A C15A 118.7(11) . .
C73A C15A C2A 103.7(16) 6_575 .
C31A C15A C16A 95.9(16) 6_575 .
C2A C15A C16A 121.1(12) . .
C58A C15A C16A 54.0(13) 6_575 .
C73A C15A C14A 134.9(18) 6_575 .
C31A C15A C14A 140.0(17) 6_575 .
C2A C15A C14A 116.7(11) . .
C58A C15A C14A 63.1(13) 6_575 .
C16A C15A C14A 116.8(13) . .
C73A C16A C77A 154(5) 6_575 .
C75A C16A C77A 92.0(12) 6_575 .
C58A C16A C77A 53.7(12) 6_575 .
C73A C16A C17A 82(4) 6_575 .
C58A C16A C17A 162.1(13) 6_575 .
C77A C16A C17A 118.1(12) . .
C75A C16A C15A 147.7(15) 6_575 .
C58A C16A C15A 60.4(13) 6_575 .
C77A C16A C15A 113.5(14) . .
C17A C16A C15A 121.9(12) . .
C75A C17A C76A 58.9(19) 6_575 .
C25A C17A C76A 58.4(12) 6_575 .
C75A C17A C16A 66(2) 6_575 .
C25A C17A C16A 165.3(15) 6_575 .
C76A C17A C16A 123.0(11) . .
C75A C17A C18A 163(2) 6_575 .
C25A C17A C18A 53.3(12) 6_575 .
C76A C17A C18A 110.1(10) . .
C16A C17A C18A 119.3(10) . .
C73A C17A C18A 98.5(12) 6_575 .
C25A C18A C19A 78.7(11) 6_575 .
C26A C18A C1A 87(6) 6_575 .
C25A C18A C1A 153.1(14) 6_575 .
C19A C18A C1A 121.2(13) . .
C26A C18A C17A 151(6) 6_575 .
C19A C18A C17A 115.3(11) . .
C1A C18A C17A 115.2(11) . .
C30A C18A C17A 111.8(16) 6_575 .
C27A C19A C18A 101.0(16) 6_575 .
C22A C19A C18A 164.4(15) 6_575 .
C26A C19A C20A 110.4(13) 6_575 .
C22A C19A C20A 50.3(7) 6_575 .
C18A C19A C20A 117.8(10) . .
C27A C19A C23A 128.5(15) 6_575 .
C26A C19A C23A 133.1(13) 6_575 .
C22A C19A C23A 60.2(8) 6_575 .
C18A C19A C23A 124.9(10) . .
C20A C19A C23A 107.4(7) . .
C27A C20A C6A 101.0(17) 6_575 .
C22A C20A C6A 169.6(15) 6_575 .
C22A C20A C19A 51.7(7) 6_575 .
C28A C20A C19A 114.7(12) 6_575 .
C6A C20A C19A 120.4(10) . .
C27A C20A C21A 130.3(16) 6_575 .
C22A C20A C21A 58.6(7) 6_575 .
C28A C20A C21A 133.8(12) 6_575 .
C6A C20A C21A 125.1(9) . .
C19A C20A C21A 107.2(6) . .
C54A C21A C22A 139.0(7) . .
C22A C21A C22A 63.4(8) 6_575 .
C54A C21A C20A 97.8(5) . .
C22A C21A C20A 105.2(6) . .
C20A C22A C21A 77.6(8) 6_575 .
C19A C22A C21A 146.9(12) 6_575 .
C27A C22A C21A 114.8(9) . .
C20A C22A C23A 145.1(13) 6_575 .
C19A C22A C23A 75.2(8) 6_575 .
C27A C22A C23A 115.6(9) . .
C21A C22A C23A 115.5(7) . .
C24A C23A C22A 144.6(7) . .
C24A C23A C19A 100.8(5) . .
C22A C23A C19A 104.6(6) . .
C23A C24A C76A 142.4(8) . .
C76A C24A C76A 63.1(8) 6_575 .
C23A C24A C25A 101.6(6) . .
C76A C24A C25A 104.8(7) . .
C18A C25A C75A 110.3(13) 6_575 .
C17A C25A C26A 97.2(16) 6_575 .
C76A C25A C26A 156(2) 6_575 .
C18A C25A C26A 9.9(12) 6_575 .
C75A C25A C26A 119.2(12) . .
C17A C25A C24A 128.6(13) 6_575 .
C76A C25A C24A 63.4(9) 6_575 .
C18A C25A C24A 131.2(13) 6_575 .
C75A C25A C24A 106.3(7) . .
C26A C25A C24A 121.8(10) . .
C18A C26A C27A 167(8) 6_575 .
C1A C26A C27A 105.5(16) 6_575 .
C18A C26A C30A 79(6) 6_575 .
C19A C26A C30A 140.6(14) 6_575 .
C27A C26A C30A 107.2(7) . .
C18A C26A C25A 55(5) 6_575 .
C19A C26A C25A 80.3(12) 6_575 .
C1A C26A C25A 134(2) 6_575 .
C27A C26A C25A 114.7(11) . .
C30A C26A C25A 131.0(14) . .
C20A C27A C22A 69.3(15) 6_575 .
C19A C27A C22A 69.2(14) 6_575 .
C20A C27A C26A 154(2) 6_575 .
C19A C27A C26A 52.0(15) 6_575 .
C22A C27A C26A 120.4(11) . .
C20A C27A C28A 54.8(15) 6_575 .
C19A C27A C28A 158(2) 6_575 .
C22A C27A C28A 124.0(10) . .
C26A C27A C28A 109.6(7) . .
C6A C28A C29A 81(6) 6_575 .
C20A C28A C29A 134.9(13) 6_575 .
C6A C28A C27A 140(8) 6_575 .
C29A C28A C27A 107.0(7) . .
C20A C28A C53A 83.4(12) 6_575 .
C29A C28A C53A 120.0(15) . .
C27A C28A C53A 112.6(11) . .
C5A C29A C34A 120(10) 6_575 .
C5A C29A C28A 110(10) 6_575 .
C34A C29A C28A 122.9(19) . .
C4A C29A C28A 142.6(19) 6_575 .
C1A C29A C28A 105.3(16) 6_575 .
C34A C29A C30A 120.6(18) . .
C4A C29A C30A 102.6(16) 6_575 .
C6A C29A C30A 115.3(14) 6_575 .
C28A C29A C30A 108.1(7) . .
C1A C30A C31A 150(10) 6_575 .
C5A C30A C31A 129(3) 6_575 .
C1A C30A C26A 53(10) 6_575 .
C5A C30A C26A 108.3(18) 6_575 .
C31A C30A C26A 113.5(17) . .
C1A C30A C29A 80(10) 6_575 .
C31A C30A C29A 129(2) . .
C18A C30A C29A 118.8(15) 6_575 .
C26A C30A C29A 108.1(8) . .
C2A C31A C30A 94(4) 6_575 .
C15A C31A C30A 165(2) 6_575 .
C15A C31A C32A 80.9(18) 6_575 .
C30A C31A C32A 107(2) . .
C1A C31A C32A 109(2) 6_575 .
C2A C31A C73A 147(4) 6_575 .
C15A C31A C73A 49.4(14) 6_575 .
C30A C31A C73A 119(2) . .
C1A C31A C73A 118(2) 6_575 .
C32A C31A C73A 128(2) . .
C2A C32A C33A 116(3) 6_575 .
C3A C32A C72A 126(4) 6_575 .
C2A C32A C72A 122(3) 6_575 .
C33A C32A C72A 120(2) . .
C3A C32A C31A 123(3) 6_575 .
C33A C32A C31A 124(2) . .
C72A C32A C31A 111(2) . .
C4A C33A C32A 120(3) 6_575 .
C3A C33A C37A 130(3) 6_575 .
C4A C33A C37A 112.2(18) 6_575 .
C32A C33A C37A 121.9(18) . .
C3A C33A C34A 120(3) 6_575 .
C32A C33A C34A 119.1(19) . .
C37A C33A C34A 107.5(7) . .
C4A C34A C29A 117(4) 6_575 .
C4A C34A C35A 118(3) 6_575 .
C29A C34A C35A 123.6(19) . .
C5A C34A C35A 129.8(18) 6_575 .
C29A C34A C33A 119.3(19) . .
C5A C34A C33A 111.2(18) 6_575 .
C9A C34A C33A 79.4(10) 6_575 .
C35A C34A C33A 108.2(7) . .
C9A C35A C52A 167(3) 6_575 .
C8A C35A C34A 148(2) 6_575 .
C9A C35A C34A 69.6(17) 6_575 .
C52A C35A C34A 117.0(16) . .
C8A C35A C36A 104.3(19) 6_575 .
C52A C35A C36A 125.7(17) . .
C34A C35A C36A 107.0(7) . .
C10A C36A C41A 92(3) 6_575 .
C9A C36A C41A 150(2) 6_575 .
C9A C36A C37A 82.6(13) 6_575 .
C41A C36A C37A 119.8(17) . .
C47A C36A C37A 100.1(18) 6_575 .
C10A C36A C35A 142(3) 6_575 .
C41A C36A C35A 118.5(18) . .
C47A C36A C35A 136(2) 6_575 .
C37A C36A C35A 108.6(7) . .
C10A C37A C38A 109(3) 6_575 .
C11A C37A C33A 130(2) 6_575 .
C10A C37A C33A 128.8(17) 6_575 .
C38A C37A C33A 116(2) . .
C11A C37A C36A 116(2) 6_575 .
C38A C37A C36A 126(2) . .
C33A C37A C36A 108.1(7) . .
C11A C38A C71A 147(7) 6_575 .
C82A C38A C71A 99(3) 6_575 .
C82A C38A C37A 131(3) 6_575 .
C71A C38A C37A 125(3) . .
C11A C38A C39A 96(6) 6_575 .
C71A C38A C39A 115(3) . .
C37A C38A C39A 113(3) . .
C12A C38A C39A 160(2) 6_575 .
C82A C39A C80A 88(6) 6_575 .
C46A C39A C80A 103(3) 6_575 .
C46A C39A C38A 131(3) 6_575 .
C80A C39A C38A 122(3) . .
C82A C39A C40A 160(7) 6_575 .
C80A C39A C40A 108(2) . .
C38A C39A C40A 122(2) . .
C46A C40A C44A 121(4) 6_575 .
C47A C40A C44A 124(2) 6_575 .
C46A C40A C41A 127(4) 6_575 .
C44A C40A C41A 108.0(8) . .
C47A C40A C39A 99(3) 6_575 .
C44A C40A C39A 128.2(18) . .
C41A C40A C39A 114.7(19) . .
C45A C40A C39A 85.5(18) 6_575 .
C47A C41A C36A 87(7) 6_575 .
C48A C41A C36A 124(3) 6_575 .
C47A C41A C42A 147(6) 6_575 .
C36A C41A C42A 123.4(19) . .
C48A C41A C40A 101(2) 6_575 .
C36A C41A C40A 124.0(19) . .
C42A C41A C40A 107.5(8) . .
C49A C42A C41A 102.8(19) 6_575 .
C48A C42A C43A 82(7) 6_575 .
C49A C42A C43A 129.2(19) 6_575 .
C41A C42A C43A 108.3(8) . .
C48A C42A C51A 102(6) 6_575 .
C41A C42A C51A 116.5(19) . .
C43A C42A C51A 111.4(13) . .
C44A C43A C48A 124.0(14) . .
C44A C43A C48A 95.5(11) 6_575 .
C48A C43A C48A 124.0(18) 6_575 .
C44A C43A C42A 107.0(7) . .
C44A C43A C42A 136.9(11) 6_575 .
C48A C43A C42A 120.5(12) . .
C42A C43A C42A 113.0(13) 6_575 .
C44A C44A C43A 74.8(6) 6_575 .
C45A C44A C43A 159.6(19) 6_575 .
C44A C44A C40A 162.3(12) 6_575 .
C45A C44A C40A 68.9(17) 6_575 .
C43A C44A C40A 108.0(8) . .
C44A C44A C45A 47.2(11) 6_575 .
C45A C44A C45A 55(2) 6_575 .
C43A C44A C45A 118.9(14) . .
C40A C44A C45A 121.9(16) . .
C45A C45A C44A 47.2(11) 6_575 .
C44A C45A C46A 93(2) 6_575 .
C45A C45A C46A 160.8(11) 6_575 .
C44A C45A C46A 122(2) . .
C44A C45A C81A 141(2) 6_575 .
C45A C45A C81A 66.1(8) 6_575 .
C44A C45A C81A 111.6(16) . .
C46A C45A C81A 116.5(17) . .
C40A C45A C81A 138.7(17) 6_575 .
C40A C46A C45A 78(3) 6_575 .
C39A C46A C45A 115(3) 6_575 .
C39A C46A C47A 115(3) 6_575 .
C45A C46A C47A 120(2) . .
C40A C46A C82A 152(4) 6_575 .
C45A C46A C82A 119(2) . .
C47A C46A C82A 111(2) . .
C41A C47A C10A 101(7) 6_575 .
C40A C47A C10A 133(3) 6_575 .
C41A C47A C46A 147(7) 6_575 .
C10A C47A C46A 109(2) . .
C36A C47A C46A 135(3) 6_575 .
C40A C47A C48A 97(3) 6_575 .
C10A C47A C48A 123(3) . .
C36A C47A C48A 96(2) 6_575 .
C46A C47A C48A 119(2) . .
C42A C48A C49A 63(6) 6_575 .
C41A C48A C49A 114(3) 6_575 .
C42A C48A C43A 83(6) 6_575 .
C41A C48A C43A 126(3) 6_575 .
C49A C48A C43A 119.7(16) . .
C42A C48A C47A 137(6) 6_575 .
C49A C48A C47A 124(2) . .
C43A C48A C47A 115(2) . .
C51A C49A C48A 135(2) 6_575 .
C51A C49A C8A 93.0(19) 6_575 .
C42A C49A C8A 130.1(15) 6_575 .
C48A C49A C8A 118.1(16) . .
C42A C49A C74A 117.2(15) 6_575 .
C48A C49A C74A 120.2(14) . .
C8A C49A C74A 109.7(7) . .
C52A C49A C74A 79.8(9) 6_575 .
C54A C50A C7A 114.4(10) . .
C50A C50A C7A 167.3(6) 6_575 .
C54A C50A C74A 123.9(12) . .
C50A C50A C74A 68.4(5) 6_575 .
C53A C50A C74A 133.3(15) 6_575 .
C7A C50A C74A 112.2(7) . .
C49A C51A C74A 151(3) 6_575 .
C49A C51A C52A 91(2) 6_575 .
C74A C51A C52A 117(2) . .
C74A C51A C42A 123.5(15) . .
C52A C51A C42A 116.0(19) . .
C7A C52A C35A 108(2) 6_575 .
C8A C52A C53A 151(3) 6_575 .
C35A C52A C53A 123.5(18) . .
C8A C52A C51A 94(2) 6_575 .
C7A C52A C51A 135(2) 6_575 .
C35A C52A C51A 117(2) . .
C53A C52A C51A 114.5(19) . .
C7A C53A C28A 88.9(19) 6_575 .
C50A C53A C28A 170.2(16) 6_575 .
C50A C53A C52A 79.3(14) 6_575 .
C6A C53A C52A 102.6(17) 6_575 .
C28A C53A C52A 109.8(15) . .
C7A C53A C54A 147(2) 6_575 .
C50A C53A C54A 47.0(10) 6_575 .
C6A C53A C54A 129.5(15) 6_575 .
C28A C53A C54A 123.2(11) . .
C52A C53A C54A 122.9(14) . .
C50A C54A C21A 149.3(7) . .
C50A C54A C21A 149.3(7) 6_575 .
C50A C54A C53A 108.3(12) . .
C50A C54A C53A 48.6(9) 6_575 .
C21A C54A C53A 101.1(7) . .
C53A C54A C53A 146.2(16) 6_575 .
C56A C55A C76A 143.4(5) . .
C56A C55A C75A 102.9(6) . .
C76A C55A C75A 107.5(7) . .
C75A C55A C75A 142.7(11) 6_575 .
C55A C56A C57A 134.5(8) . .
C57A C56A C57A 75.1(9) 6_575 .
C55A C56A C77A 103.8(5) . .
C57A C56A C77A 106.3(7) . .
C77A C56A C77A 134.4(9) 6_575 .
C77A C57A C56A 73.9(12) 6_575 .
C63A C57A C56A 168.5(17) 6_575 .
C77A C57A C62A 165(2) 6_575 .
C63A C57A C62A 64.1(11) 6_575 .
C56A C57A C62A 105.2(7) . .
C77A C57A C58A 50.6(15) 6_575 .
C63A C57A C58A 65.0(15) 6_575 .
C56A C57A C58A 122.4(13) . .
C62A C57A C58A 123.9(14) . .
C77A C58A C59A 146(2) 6_575 .
C16A C58A C59A 142(2) 6_575 .
C77A C58A C73A 83.1(19) 6_575 .
C59A C58A C73A 123(2) . .
C63A C58A C73A 148(2) 6_575 .
C15A C58A C73A 45.6(13) 6_575 .
C16A C58A C57A 94.8(17) 6_575 .
C59A C58A C57A 114.6(18) . .
C15A C58A C57A 155.1(17) 6_575 .
C73A C58A C57A 113.9(19) . .
C14A C59A C58A 102(4) 6_575 .
C64A C59A C58A 96(2) 6_575 .
C64A C59A C72A 144(2) 6_575 .
C58A C59A C72A 119.4(19) . .
C14A C59A C60A 128(4) 6_575 .
C58A C59A C60A 130.0(19) . .
C72A C59A C60A 106.6(8) . .
C65A C60A C61A 66(4) 6_575 .
C64A C60A C61A 89(2) 6_575 .
C65A C60A C78A 53(4) 6_575 .
C64A C60A C78A 143.3(19) 6_575 .
C61A C60A C78A 118.3(14) . .
C70A C60A C78A 14.7(10) 6_575 .
C65A C60A C59A 145(6) 6_575 .
C61A C60A C59A 115(2) . .
C70A C60A C59A 94.5(11) 6_575 .
C78A C60A C59A 108.2(8) . .
C65A C61A C66A 94.0(14) 6_575 .
C66A C61A C60A 112.2(13) . .
C65A C61A C62A 139.1(17) 6_575 .
C66A C61A C62A 122.0(11) . .
C60A C61A C62A 122.8(15) . .
C61A C61A C62A 65.6(6) 6_575 .
C64A C61A C62A 87.1(11) 6_575 .
C63A C62A C63A 146.6(11) 6_575 .
C63A C62A C57A 110.9(8) . .
C63A C62A C61A 78.2(9) 6_575 .
C63A C62A C61A 125.9(10) . .
C57A C62A C61A 112.0(9) . .
C57A C62A C61A 150.9(12) 6_575 .
C61A C62A C61A 48.8(12) 6_575 .
C57A C63A C62A 79.3(12) 6_575 .
C57A C63A C64A 153(2) 6_575 .
C62A C63A C64A 115.7(10) . .
C62A C63A C77A 108.9(8) . .
C64A C63A C77A 125.1(13) . .
C58A C63A C77A 49.3(12) 6_575 .
C59A C64A C63A 104(2) 6_575 .
C60A C64A C63A 133(2) 6_575 .
C59A C64A C65A 110.1(17) 6_575 .
C63A C64A C65A 125.4(12) . .
C60A C64A C14A 104.1(17) 6_575 .
C63A C64A C14A 111.7(14) . .
C65A C64A C14A 108.3(8) . .
C60A C65A C70A 95(4) 6_575 .
C61A C65A C70A 160.6(15) 6_575 .
C61A C65A C64A 78.6(13) 6_575 .
C78A C65A C64A 124.9(14) 6_575 .
C70A C65A C64A 108.4(8) . .
C60A C65A C66A 139(4) 6_575 .
C78A C65A C66A 109.5(15) 6_575 .
C70A C65A C66A 125.0(10) . .
C64A C65A C66A 121.4(9) . .
C61A C66A C61A 67.0(15) 6_575 .
C61A C66A C67A 136.2(10) 6_575 .
C61A C66A C67A 136.2(10) . .
C61A C66A C65A 108.3(10) . .
C67A C66A C65A 97.0(6) . .
C66A C67A C68A 142.9(5) . .
C66A C67A C79A 107.2(6) . .
C68A C67A C79A 107.4(7) . .
C79A C68A C69A 46.4(13) 6_575 .
C80A C68A C69A 55.1(13) 6_575 .
C79A C68A C67A 74.2(11) 6_575 .
C80A C68A C67A 161.0(19) 6_575 .
C69A C68A C67A 116.1(10) . .
C79A C68A C81A 165(2) 6_575 .
C80A C68A C81A 71.3(10) 6_575 .
C69A C68A C81A 123.2(10) . .
C67A C68A C81A 108.5(7) . .
C79A C69A C82A 160(2) 6_575 .
C80A C69A C82A 77.5(18) 6_575 .
C78A C69A C82A 124(2) 6_575 .
C78A C69A C68A 109.4(16) 6_575 .
C82A C69A C68A 119.2(17) . .
C79A C69A C70A 82.4(15) 6_575 .
C80A C69A C70A 158.7(16) 6_575 .
C82A C69A C70A 111.0(17) . .
C68A C69A C70A 121.0(13) . .
C78A C70A C65A 74(4) 6_575 .
C71A C70A C65A 144.2(14) 6_575 .
C78A C70A C13A 169(7) 6_575 .
C65A C70A C13A 108.7(8) . .
C78A C70A C69A 49(4) 6_575 .
C71A C70A C69A 84.7(15) 6_575 .
C65A C70A C69A 118.1(11) . .
C13A C70A C69A 122.6(12) . .
C60A C70A C69A 134.8(15) 6_575 .
C13A C71A C38A 141(3) 6_575 .
C70A C71A C38A 132(2) 6_575 .
C12A C71A C38A 63.6(17) 6_575 .
C70A C71A C72A 98.9(12) 6_575 .
C12A C71A C72A 58.5(14) 6_575 .
C38A C71A C72A 119(2) . .
C13A C71A C78A 90.6(15) 6_575 .
C12A C71A C78A 160.9(17) 6_575 .
C38A C71A C78A 122(2) . .
C72A C71A C78A 108.1(7) . .
C13A C72A C32A 143(3) 6_575 .
C14A C72A C32A 120(2) 6_575 .
C12A C72A C32A 64.9(16) 6_575 .
C14A C72A C71A 119.6(14) 6_575 .
C12A C72A C71A 53.7(13) 6_575 .
C32A C72A C71A 116.9(19) . .
C13A C72A C59A 87.8(19) 6_575 .
C12A C72A C59A 157.8(16) 6_575 .
C32A C72A C59A 125(2) . .
C71A C72A C59A 108.9(8) . .
C16A C73A C31A 165(5) 6_575 .
C15A C73A C31A 52.4(16) 6_575 .
C17A C73A C31A 107.7(18) 6_575 .
C16A C73A C58A 58(4) 6_575 .
C15A C73A C58A 62.2(18) 6_575 .
C17A C73A C58A 131(2) 6_575 .
C31A C73A C58A 112(2) . .
C16A C73A C75A 52(4) 6_575 .
C15A C73A C75A 164(2) 6_575 .
C31A C73A C75A 131(2) . .
C58A C73A C75A 107.9(17) . .
C51A C74A C50A 132.8(15) . .
C51A C74A C50A 90.5(12) 6_575 .
C51A C74A C49A 120.0(14) . .
C50A C74A C49A 102.3(6) . .
C50A C74A C49A 144.0(8) 6_575 .
C76A C75A C25A 48.8(9) 6_575 .
C16A C75A C25A 124.4(12) 6_575 .
C17A C75A C55A 145(2) 6_575 .
C76A C75A C55A 60.4(9) 6_575 .
C16A C75A C55A 118.4(13) 6_575 .
C25A C75A C55A 107.4(7) . .
C17A C75A C73A 68(2) 6_575 .
C76A C75A C73A 151.1(18) 6_575 .
C25A C75A C73A 105.7(12) . .
C55A C75A C73A 134.6(14) . .
C25A C76A C17A 53.7(11) 6_575 .
C75A C76A C55A 78.6(10) 6_575 .
C25A C76A C55A 157.5(16) 6_575 .
C17A C76A C55A 110.2(9) . .
C75A C76A C24A 154.2(15) 6_575 .
C25A C76A C24A 73.8(8) 6_575 .
C17A C76A C24A 125.1(9) . .
C55A C76A C24A 113.9(7) . .
C57A C77A C16A 156.6(18) 6_575 .
C58A C77A C16A 63.0(14) 6_575 .
C58A C77A C63A 63.6(13) 6_575 .
C16A C77A C63A 126.2(12) . .
C57A C77A C56A 73.4(12) 6_575 .
C58A C77A C56A 161.1(14) 6_575 .
C16A C77A C56A 121.4(11) . .
C63A C77A C56A 107.1(7) . .
C70A C78A C79A 160(6) 6_575 .
C65A C78A C79A 103.0(15) 6_575 .
C70A C78A C60A 75(4) 6_575 .
C69A C78A C60A 155(2) 6_575 .
C79A C78A C60A 118.3(12) . .
C65A C78A C71A 121.0(14) 6_575 .
C69A C78A C71A 82.2(16) 6_575 .
C79A C78A C71A 125.7(19) . .
C60A C78A C71A 107.5(7) . .
C68A C79A C78A 150(3) 6_575 .
C69A C79A C78A 65.8(18) 6_575 .
C69A C79A C80A 51.7(14) 6_575 .
C78A C79A C80A 116.0(17) . .
C68A C79A C67A 68.8(11) 6_575 .
C69A C79A C67A 148(2) 6_575 .
C78A C79A C67A 120.7(12) . .
C80A C79A C67A 107.1(8) . .
C68A C80A C81A 70.5(10) 6_575 .
C69A C80A C81A 146.0(15) 6_575 .
C79A C80A C81A 108.1(8) . .
C68A C80A C39A 153(2) 6_575 .
C69A C80A C39A 78.2(18) 6_575 .
C79A C80A C39A 120.2(19) . .
C81A C80A C39A 119.8(17) . .
C68A C81A C68A 69.1(9) 6_575 .
C68A C81A C80A 38.3(6) 6_575 .
C68A C81A C80A 107.2(8) . .
C80A C81A C80A 144.8(11) 6_575 .
C68A C81A C45A 162.2(13) 6_575 .
C68A C81A C45A 119.5(10) . .
C80A C81A C45A 81.9(10) 6_575 .
C80A C81A C45A 129.1(11) . .
C39A C82A C69A 115(7) 6_575 .
C38A C82A C69A 112(3) 6_575 .
C39A C82A C11A 105(7) 6_575 .
C69A C82A C11A 132(3) . .
C38A C82A C46A 117(3) 6_575 .
C69A C82A C46A 122(3) . .
C11A C82A C46A 98(2) . .
C6S C1S C2S 118.5(14) . .
C6S C1S C7S 119.4(14) . .
C2S C1S C7S 122.1(15) . .
C3S C2S C1S 119.7(15) . .
C3S C2S H2S 120.2 . .
C1S C2S H2S 120.2 . .
C2S C3S C4S 122.8(15) . .
C2S C3S H3S 118.6 . .
C4S C3S H3S 118.6 . .
C5S C4S C3S 119.1(14) . .
C5S C4S H4S 120.5 . .
C3S C4S H4S 120.5 . .
C4S C5S C6S 120.3(13) . .
C4S C5S H5S 119.9 . .
C6S C5S H5S 119.9 . .
C1S C6S C5S 119.7(13) . .
C1S C6S H6S 120.2 . .
C5S C6S H6S 120.2 . .
C1S C7S H7SA 109.5 . .
C1S C7S H7SB 109.5 . .
H7SA C7S H7SB 109.5 . .
C1S C7S H7SC 109.5 . .
H7SA C7S H7SC 109.5 . .
H7SB C7S H7SC 109.5 . .
S1 Dy1 S1 14.86(18) 6_575 .
S1 Dy1 Dy2 56.40(17) 6_575 6_575
S1 Dy1 Dy2 59.76(13) . 6_575
S1 Dy1 Dy1 52.90(16) 6_575 6_575
S1 Dy1 Dy1 38.04(13) . 6_575
Dy2 Dy1 Dy1 76.31(3) 6_575 6_575
S1 Dy1 Dy2 44.89(17) 6_575 .
S1 Dy1 Dy2 41.38(13) . .
Dy2 Dy1 Dy2 25.44(4) 6_575 .
Dy1 Dy1 Dy2 50.87(3) 6_575 .
S1 S1 Dy1 127.09(16) 6_575 6_575
S1 S1 Dy1 38.03(13) 6_575 .
Dy1 S1 Dy1 89.1(2) 6_575 .
S1 S1 Dy2 99.99(11) 6_575 .
Dy1 S1 Dy2 84.5(2) 6_575 .
Dy1 S1 Dy2 98.27(19) . .
S1 S1 Dy2 63.62(10) 6_575 6_575
Dy1 S1 Dy2 106.1(2) 6_575 6_575
Dy1 S1 Dy2 69.92(14) . 6_575
Dy2 S1 Dy2 36.36(9) . 6_575
Dy2 Dy2 S1 80.01(11) 6_575 .
Dy2 Dy2 S1 63.62(10) 6_575 6_575
S1 Dy2 S1 16.39(19) . 6_575
Dy2 Dy2 Dy1 103.70(3) 6_575 6_575
S1 Dy2 Dy1 39.06(13) . 6_575
S1 Dy2 Dy1 50.32(11) 6_575 6_575
Dy2 Dy2 Dy1 50.87(3) 6_575 .
S1 Dy2 Dy1 40.35(12) . .
S1 Dy2 Dy1 29.06(12) 6_575 .
Dy1 Dy2 Dy1 52.83(4) 6_575 .
C12S C11S C16S 120.0 . .
C13S C12S C11S 120.0 . .
C13S C12S H12S 120.0 . .
C11S C12S H12S 120.0 . .
C12S C13S C14S 120.0 . .
C12S C13S H13S 120.0 . .
C14S C13S H13S 120.0 . .
C15S C14S C13S 120.0 . .
C15S C14S H14S 120.0 . .
C13S C14S H14S 120.0 . .
C16S C15S C14S 120.0 . .
C16S C15S H15S 120.0 . .
C14S C15S H15S 120.0 . .
C15S C16S C11S 120.0 . .
C15S C16S C17S 119.9(14) . .
C11S C16S C17S 120.1(14) . .
C16S C17S H17C 109.5 . .
C16S C17S H17D 109.5 . .
H17C C17S H17D 109.5 . .
C16S C17S H17E 109.5 . .
H17C C17S H17E 109.5 . .
H17D C17S H17E 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1P N2P 1.960(6) 6_575
Ni1P N2P 1.960(6) .
Ni1P N3P 1.960(9) .
Ni1P N1P 1.966(9) .
N1P C2P 1.378(9) .
N1P C2P 1.378(9) 6_575
N2P C4P 1.369(9) .
N2P C7P 1.393(9) .
N3P C9P 1.382(9) .
N3P C9P 1.382(9) 6_575
C1P C1P 1.362(15) 6_575
C1P C2P 1.441(11) .
C1P C17P 1.507(10) .
C2P C3P 1.368(10) .
C3P C4P 1.380(11) .
C3P H3P 0.9300 .
C4P C5P 1.441(10) .
C5P C6P 1.335(12) .
C5P C15P 1.522(11) .
C6P C7P 1.456(10) .
C6P C13P 1.510(11) .
C7P C8P 1.329(11) .
C8P C9P 1.360(10) .
C8P H8P 0.9300 .
C9P C10P 1.462(11) .
C10P C10P 1.341(15) 6_575
C10P C11P 1.515(11) .
C11P C12P 1.553(12) .
C11P H11A 0.9700 .
C11P H11B 0.9700 .
C12P H12A 0.9600 .
C12P H12B 0.9600 .
C12P H12C 0.9600 .
C13P C14P 1.515(14) .
C13P H13A 0.9700 .
C13P H13B 0.9700 .
C14P H14A 0.9600 .
C14P H14B 0.9600 .
C14P H14C 0.9600 .
C15P C16P 1.540(14) .
C15P H15A 0.9700 .
C15P H15B 0.9700 .
C16P H16A 0.9600 .
C16P H16B 0.9600 .
C16P H16C 0.9600 .
C17P C18P 1.517(11) .
C17P H17A 0.9700 .
C17P H17B 0.9700 .
C18P H18A 0.9600 .
C18P H18B 0.9600 .
C18P H18C 0.9600 .
C1A C30A 0.11(5) 6_575
C1A C5A 1.27(3) .
C1A C18A 1.39(3) .
C1A C26A 1.41(3) 6_575
C1A C31A 1.41(3) 6_575
C1A C29A 1.46(3) 6_575
C1A C2A 1.59(3) .
C2A C31A 0.61(3) 6_575
C2A C32A 0.95(3) 6_575
C2A C3A 1.38(3) .
C2A C15A 1.41(2) .
C2A C30A 1.49(3) 6_575
C3A C33A 0.67(2) 6_575
C3A C32A 0.71(2) 6_575
C3A C12A 1.43(3) .
C3A C4A 1.44(3) .
C4A C34A 0.55(2) 6_575
C4A C33A 1.01(2) 6_575
C4A C29A 1.45(3) 6_575
C4A C9A 1.50(3) .
C4A C5A 1.50(3) .
C5A C29A 0.20(3) 6_575
C5A C34A 1.22(3) 6_575
C5A C30A 1.28(3) 6_575
C5A C28A 1.54(3) 6_575
C5A C6A 1.55(3) .
C6A C28A 0.25(3) 6_575
C6A C53A 1.29(2) 6_575
C6A C20A 1.34(2) .
C6A C7A 1.43(2) .
C6A C29A 1.45(3) 6_575
C6A C27A 1.67(2) 6_575
C7A C53A 0.790(19) 6_575
C7A C52A 0.94(3) 6_575
C7A C50A 1.545(15) .
C7A C8A 1.580(15) .
C7A C28A 1.66(2) 6_575
C8A C35A 0.81(2) 6_575
C8A C52A 0.84(2) 6_575
C8A C9A 1.54(2) .
C8A C49A 1.564(16) .
C9A C35A 0.82(2) 6_575
C9A C36A 1.06(2) 6_575
C9A C34A 1.43(3) 6_575
C9A C10A 1.45(3) .
C10A C36A 0.65(2) 6_575
C10A C37A 1.01(2) 6_575
C10A C47A 1.33(4) .
C10A C11A 1.43(3) .
C10A C41A 1.49(3) 6_575
C11A C38A 0.53(3) 6_575
C11A C37A 0.88(2) 6_575
C11A C82A 1.40(4) .
C11A C12A 1.50(3) .
C11A C39A 1.64(4) 6_575
C12A C71A 1.29(3) 6_575
C12A C72A 1.36(3) 6_575
C12A C38A 1.39(4) 6_575
C12A C13A 1.42(2) .
C12A C32A 1.50(3) 6_575
C12A C33A 1.54(2) 6_575
C12A C37A 1.55(2) 6_575
C13A C72A 0.74(2) 6_575
C13A C71A 0.89(2) 6_575
C13A C14A 1.387(16) .
C13A C70A 1.387(16) .
C13A C59A 1.65(2) 6_575
C14A C59A 0.51(2) 6_575
C14A C72A 1.10(2) 6_575
C14A C64A 1.380(15) .
C14A C15A 1.51(2) .
C14A C58A 1.54(3) 6_575
C15A C73A 1.15(3) 6_575
C15A C31A 1.20(3) 6_575
C15A C58A 1.42(3) 6_575
C15A C16A 1.49(2) .
C16A C73A 0.54(3) 6_575
C16A C75A 1.31(2) 6_575
C16A C58A 1.32(3) 6_575
C16A C77A 1.32(2) .
C16A C17A 1.43(2) .
C17A C75A 0.652(18) 6_575
C17A C25A 1.041(18) 6_575
C17A C76A 1.196(18) .
C17A C73A 1.45(3) 6_575
C17A C18A 1.66(2) .
C18A C26A 0.28(3) 6_575
C18A C25A 1.33(2) 6_575
C18A C19A 1.36(2) .
C18A C30A 1.44(3) 6_575
C19A C27A 0.838(17) 6_575
C19A C26A 1.15(2) 6_575
C19A C22A 1.190(16) 6_575
C19A C20A 1.483(15) .
C19A C23A 1.639(13) .
C20A C27A 0.766(17) 6_575
C20A C22A 1.167(16) 6_575
C20A C28A 1.20(2) 6_575
C20A C21A 1.647(13) .
C21A C54A 1.250(16) .
C21A C22A 1.439(13) 6_575
C21A C22A 1.439(13) .
C22A C27A 1.193(16) .
C22A C23A 1.471(14) .
C22A C22A 1.51(2) 6_575
C23A C24A 1.084(17) .
C24A C76A 1.448(14) 6_575
C24A C76A 1.448(14) .
C24A C25A 1.555(15) .
C24A C25A 1.555(15) 6_575
C25A C76A 1.099(17) 6_575
C25A C75A 1.459(17) .
C25A C26A 1.47(2) .
C26A C27A 1.458(18) .
C26A C30A 1.468(19) .
C27A C28A 1.468(16) .
C28A C29A 1.466(19) .
C28A C53A 1.47(2) .
C29A C34A 1.11(3) .
C29A C30A 1.480(19) .
C30A C31A 1.31(3) .
C31A C32A 1.48(4) .
C31A C73A 1.48(3) .
C32A C33A 1.32(3) .
C32A C72A 1.43(3) .
C33A C37A 1.487(17) .
C33A C34A 1.509(17) .
C34A C35A 1.492(17) .
C35A C52A 1.36(3) .
C35A C36A 1.500(17) .
C36A C41A 1.32(3) .
C36A C47A 1.38(4) 6_575
C36A C37A 1.487(17) .
C37A C38A 1.34(3) .
C38A C82A 1.11(4) 6_575
C38A C71A 1.34(3) .
C38A C39A 1.50(5) .
C39A C82A 0.56(3) 6_575
C39A C46A 0.95(3) 6_575
C39A C80A 1.48(3) .
C39A C40A 1.55(3) .
C39A C69A 1.67(4) 6_575
C40A C46A 0.63(2) 6_575
C40A C47A 1.08(4) 6_575
C40A C44A 1.407(17) .
C40A C41A 1.411(18) .
C40A C45A 1.43(3) 6_575
C41A C47A 0.48(3) 6_575
C41A C48A 1.14(3) 6_575
C41A C42A 1.397(18) .
C42A C48A 0.37(4) 6_575
C42A C49A 1.06(2) 6_575
C42A C43A 1.415(16) .
C42A C51A 1.63(3) .
C43A C44A 1.405(16) .
C43A C44A 1.405(16) 6_575
C43A C48A 1.41(3) 6_575
C43A C48A 1.41(3) .
C44A C44A 0.74(3) 6_575
C44A C45A 1.06(2) 6_575
C44A C45A 1.42(2) .
C45A C45A 1.19(4) 6_575
C45A C46A 1.42(3) .
C45A C81A 1.47(3) .
C46A C47A 1.44(4) .
C46A C82A 1.50(3) .
C47A C48A 1.53(3) .
C48A C49A 1.17(3) .
C49A C51A 0.71(3) 6_575
C49A C52A 1.65(3) 6_575
C49A C74A 1.652(13) .
C50A C54A 1.158(17) .
C50A C50A 1.18(3) 6_575
C50A C53A 1.19(2) 6_575
C50A C74A 1.604(14) .
C51A C74A 1.00(2) .
C51A C52A 1.47(3) .
C52A C53A 1.47(3) .
C53A C54A 1.576(16) .
C55A C56A 1.201(19) .
C55A C76A 1.359(15) .
C55A C76A 1.359(15) 6_575
C55A C75A 1.532(16) 6_575
C55A C75A 1.532(16) .
C56A C57A 1.466(15) 6_575
C56A C57A 1.466(15) .
C56A C77A 1.469(14) 6_575
C56A C77A 1.470(14) .
C57A C77A 0.825(16) 6_575
C57A C63A 0.895(16) 6_575
C57A C62A 1.476(15) .
C57A C58A 1.54(2) .
C58A C77A 1.20(3) 6_575
C58A C59A 1.35(3) .
C58A C63A 1.41(2) 6_575
C58A C73A 1.53(3) .
C59A C64A 0.91(3) 6_575
C59A C72A 1.502(19) .
C59A C60A 1.516(19) .
C60A C65A 0.42(2) 6_575
C60A C64A 0.97(2) 6_575
C60A C61A 1.35(3) .
C60A C70A 1.44(3) 6_575
C60A C78A 1.491(19) .
C61A C65A 1.24(2) 6_575
C61A C66A 1.25(2) .
C61A C61A 1.38(3) 6_575
C61A C64A 1.65(2) 6_575
C61A C62A 1.67(2) .
C62A C63A 1.352(14) 6_575
C62A C63A 1.352(14) .
C63A C64A 1.36(2) .
C63A C77A 1.452(16) .
C64A C65A 1.359(15) .
C65A C78A 1.28(2) 6_575
C65A C70A 1.335(16) .
C66A C67A 1.312(19) .
C67A C68A 1.415(15) .
C67A C68A 1.415(15) 6_575
C67A C79A 1.460(15) .
C67A C79A 1.460(15) 6_575
C68A C79A 0.914(16) 6_575
C68A C80A 0.945(16) 6_575
C68A C69A 1.36(2) .
C68A C81A 1.438(15) .
C68A C68A 1.63(2) 6_575
C69A C79A 0.99(2) 6_575
C69A C80A 1.13(2) 6_575
C69A C78A 1.29(3) 6_575
C69A C82A 1.35(4) .
C69A C70A 1.50(2) .
C70A C78A 0.38(3) 6_575
C70A C71A 1.22(2) 6_575
C70A C79A 1.68(2) 6_575
C71A C72A 1.481(18) .
C71A C78A 1.509(18) .
C73A C75A 1.57(3) .
C75A C76A 1.024(18) 6_575
C76A C76A 1.52(2) 6_575
C78A C79A 1.32(3) .
C79A C80A 1.436(17) .
C80A C81A 1.445(15) .
C80A C82A 1.56(4) 6_575
C1S C6S 1.38(2) .
C1S C2S 1.42(2) .
C1S C7S 1.428(19) .
C2S C3S 1.33(2) .
C2S H2S 0.9300 .
C3S C4S 1.37(2) .
C3S H3S 0.9300 .
C4S C5S 1.36(2) .
C4S H4S 0.9300 .
C5S C6S 1.41(2) .
C5S H5S 0.9300 .
C6S H6S 0.9300 .
C7S H7SA 0.9600 .
C7S H7SB 0.9600 .
C7S H7SC 0.9600 .
Dy1 S1 1.904(6) 6_575
Dy1 S1 2.465(5) .
Dy1 Dy2 3.0087(17) 6_575
Dy1 Dy1 3.091(2) 6_575
Dy1 Dy2 3.7685(17) .
S1 S1 0.793(9) 6_575
S1 Dy2 2.518(5) .
S1 Dy2 2.768(5) 6_575
Dy2 Dy2 1.666(2) 6_575
Dy5 Dy5 2.505(14) 6_575
C11S C12S 1.3900 .
C11S C16S 1.3900 .
C12S C13S 1.3900 .
C12S H12S 0.9300 .
C13S C14S 1.3900 .
C13S H13S 0.9300 .
C14S C15S 1.3900 .
C14S H14S 0.9300 .
C15S C16S 1.3900 .
C15S H15S 0.9300 .
C16S C17S 1.53(3) .
C17S H17C 0.9600 .
C17S H17D 0.9600 .
C17S H17E 0.9600 .
