#------------------------------------------------------------------------------
#$Date: 2017-04-05 12:51:11 +0300 (Wed, 05 Apr 2017) $
#$Revision: 195096 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/19/7041992.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_7041992
loop_
_publ_author_name
'Canaj, Angelos B.'
'Kalofolias, Dimitris A.'
'Siczek, Milosz'
'Lis, Tadeusz'
'McNab, Robbie'
'Lorusso, Giulia'
'Inglis, Ross'
'Evangelisti, Marco'
'Milios, Constantinos J.'
_publ_section_title
;
 Tetradecanuclearity in 3d-4f chemistry: relaxation and magnetocaloric
 effects in [NiLn] species.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3449
_journal_page_last               3452
_journal_paper_doi               10.1039/c7dt00102a
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety
'C152 H154 Dy8 N12 Ni6 O52, (C2 H3 N), 2(N O3), 0.5(H2 O)'
_chemical_formula_sum            'C154 H158 Dy8 N15 Ni6 O58.5'
_chemical_formula_weight         4807.20
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-12-02 deposited with the CCDC.
2017-02-09 downloaded from the CCDC.
;
_cell_angle_alpha                69.78(4)
_cell_angle_beta                 83.79(3)
_cell_angle_gamma                84.34(3)
_cell_formula_units_Z            1
_cell_length_a                   14.200(5)
_cell_length_b                   18.006(7)
_cell_length_c                   18.029(7)
_cell_measurement_reflns_used    7862
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      25.663
_cell_measurement_theta_min      2.715
_cell_volume                     4291(3)
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2011)'
_computing_data_collection       'CrysAlis PRO (Agilent, 2011)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2011)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type
;
Xcalibur R kappa-geometry diffractometer with a Ruby CCD detector
;
_diffrn_measurement_method       w/
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0530
_diffrn_reflns_av_unetI/netI     0.0928
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            31346
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.500
_diffrn_reflns_theta_max         25.663
_diffrn_reflns_theta_min         2.715
_exptl_absorpt_coefficient_mu    4.164
_exptl_absorpt_correction_T_max  0.845
_exptl_absorpt_correction_T_min  0.455
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5
Analytical numeric absorption correction using a
multifaceted crystal model based on expressions
derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.860
_exptl_crystal_description       plate
_exptl_crystal_F_000             2351
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.050
_refine_diff_density_max         1.958
_refine_diff_density_min         -1.057
_refine_diff_density_rms         0.180
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1117
_refine_ls_number_reflns         16022
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.1088
_refine_ls_R_factor_gt           0.0607
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0848P)²+15.1043P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1499
_refine_ls_wR_factor_ref         0.1897
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10025
_reflns_number_total             16022
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt00102a2.cif
_cod_data_source_block           at2075a
_cod_depositor_comments
'Adding full bibliography for 7041992--7041993.cif.'
_cod_original_formula_sum        'C154 H158 Dy8 N15 Ni6 O58.50'
_cod_database_code               7041992
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_min   0.411
_shelx_estimated_absorpt_t_max   0.819
loop_
_space_group_symop_operation_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_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
Dy11 Dy 0.4610(11) 0.5342(10) 0.5916(8) 0.074(5) Uiso 0.089(4) 1 d . . P A .
Dy12 Dy 0.4108(15) 0.4851(13) 0.6012(11) 0.073(6) Uiso 0.059(3) 1 d . . P A .
Dy21 Dy 0.3193(13) 0.6394(11) 0.3811(10) 0.085(7) Uiso 0.089(4) 1 d . . P A .
Dy22 Dy 0.2698(14) 0.5881(13) 0.3932(10) 0.076(6) Uiso 0.059(3) 1 d . . P A .
Dy31 Dy 0.5314(12) 0.7181(11) 0.4193(9) 0.088(5) Uiso 0.089(4) 1 d . . P A .
Dy32 Dy 0.4757(15) 0.6757(14) 0.4244(13) 0.077(8) Uiso 0.059(3) 1 d . . P A .
Dy41 Dy 0.3116(10) 0.5637(12) 0.7784(9) 0.089(6) Uiso 0.089(4) 1 d . . P A .
Dy42 Dy 0.272(2) 0.5111(17) 0.7899(16) 0.107(11) Uiso 0.059(3) 1 d . . P A .
Dy1 Dy 0.43884(7) 0.50949(7) 0.59832(4) 0.0313(4) Uani 0.852(7) 1 d . . P A .
Dy2 Dy 0.29402(8) 0.61996(7) 0.38869(5) 0.0361(4) Uani 0.852(7) 1 d . . P A .
Dy3 Dy 0.50201(8) 0.69486(7) 0.42708(4) 0.0405(4) Uani 0.852(7) 1 d . . P A .
Dy4 Dy 0.29949(7) 0.52914(9) 0.79072(5) 0.0392(5) Uani 0.852(7) 1 d . . P A .
Ni1 Ni 0.27299(10) 0.38019(10) 0.71960(8) 0.0449(4) Uani 1 1 d . . . . .
Ni2 Ni 0.48261(11) 0.64469(10) 0.68617(8) 0.0510(4) Uani 1 1 d . . . . .
Ni3 Ni 0.09135(12) 0.72723(12) 0.37492(9) 0.0606(5) Uani 1 1 d . . . . .
O1 O 0.3752(5) 0.6195(5) 0.4969(4) 0.0449(19) Uani 1 1 d . . . . .
H1 H 0.3401 0.6481 0.5200 0.054 Uiso 1 1 d R U . A .
O2 O 0.5412(5) 0.3934(5) 0.6345(4) 0.053(2) Uani 1 1 d . . . . .
H2 H 0.5290 0.3705 0.6847 0.063 Uiso 1 1 d R U . A .
O3 O 0.4420(5) 0.4385(5) 0.5034(4) 0.0468(19) Uani 1 1 d . . . . .
H3 H 0.3876 0.4411 0.4855 0.056 Uiso 1 1 d R U . A .
O4 O 0.3851(5) 0.4411(5) 0.7327(4) 0.0445(19) Uani 1 1 d . . . . .
H4 H 0.4284 0.4110 0.7607 0.053 Uiso 1 1 d R U . A .
O5 O 0.3633(5) 0.5986(5) 0.6634(4) 0.049(2) Uani 1 1 d . . . . .
H5 H 0.3242 0.6341 0.6353 0.059 Uiso 1 1 d R U . A .
O2A O 0.1981(5) 0.4356(5) 0.7888(4) 0.050(2) Uani 1 1 d . . . . .
C1A C 0.1242(8) 0.3187(9) 0.8747(7) 0.057(3) Uani 1 1 d . . . . .
C2A C 0.1240(8) 0.4012(9) 0.8341(6) 0.052(3) Uani 1 1 d . . . . .
C3A C 0.0402(7) 0.4484(9) 0.8404(7) 0.056(3) Uani 1 1 d . . . . .
H3A H 0.0398 0.5039 0.8127 0.067 Uiso 1 1 calc R U . . .
C4A C -0.0385(10) 0.4188(10) 0.8837(8) 0.064(4) Uani 1 1 d . . . . .
H4A H -0.0925 0.4535 0.8866 0.077 Uiso 1 1 calc R U . . .
C5A C -0.1290(11) 0.3069(12) 0.9674(9) 0.095(6) Uani 1 1 d . . . . .
H5A H -0.1833 0.3421 0.9680 0.115 Uiso 1 1 calc R U . . .
C6A C -0.1339(13) 0.2293(14) 1.0066(12) 0.137(10) Uani 1 1 d . . . . .
H6A H -0.1913 0.2102 1.0362 0.165 Uiso 1 1 calc R U . . .
C7A C -0.0537(12) 0.1738(12) 1.0049(11) 0.115(8) Uani 1 1 d . . . . .
H7A H -0.0584 0.1183 1.0303 0.138 Uiso 1 1 calc R U . . .
C8A C 0.0307(11) 0.2048(11) 0.9644(9) 0.097(6) Uani 1 1 d . . . . .
H8A H 0.0849 0.1694 0.9644 0.116 Uiso 1 1 calc R U . . .
C9A C 0.0391(10) 0.2880(10) 0.9228(8) 0.076(5) Uani 1 1 d . . . . .
C10A C -0.0429(9) 0.3369(10) 0.9250(8) 0.073(4) Uani 1 1 d . . . . .
C11A C 0.2086(9) 0.2657(8) 0.8693(7) 0.055(3) Uani 1 1 d . . . . .
H11A H 0.2139 0.2159 0.9107 0.066 Uiso 1 1 calc R U . . .
N1A N 0.2748(6) 0.2807(6) 0.8140(5) 0.047(2) Uani 1 1 d . . . . .
C12A C 0.3557(8) 0.2212(8) 0.8137(7) 0.052(3) Uani 1 1 d . . . . .
C13A C 0.3264(10) 0.1395(10) 0.8336(8) 0.081(5) Uani 1 1 d . . . . .
H13A H 0.3828 0.1036 0.8323 0.121 Uiso 1 1 calc R U . . .
H13B H 0.2934 0.1224 0.8867 0.121 Uiso 1 1 calc R U . . .
H13C H 0.2838 0.1382 0.7948 0.121 Uiso 1 1 calc R U . . .
C14A C 0.4290(9) 0.2271(10) 0.8669(7) 0.073(5) Uani 1 1 d . . . . .
H14A H 0.4457 0.2823 0.8512 0.109 Uiso 1 1 calc R U . . .
H14B H 0.4024 0.2096 0.9222 0.109 Uiso 1 1 calc R U . . .
H14C H 0.4860 0.1934 0.8615 0.109 Uiso 1 1 calc R U . . .
C15A C 0.4001(9) 0.2494(9) 0.7263(7) 0.059(4) Uani 1 1 d . . . . .
O1A O 0.3688(5) 0.3107(5) 0.6757(4) 0.052(2) Uani 1 1 d . . . . .
O3A O 0.4700(7) 0.2086(6) 0.7075(5) 0.069(3) Uani 1 1 d . . . . .
O2B O 0.4296(6) 0.5997(5) 0.8004(4) 0.055(2) Uani 1 1 d . . . . .
C1B C 0.4175(9) 0.7241(8) 0.8250(7) 0.052(3) Uani 1 1 d . . . . .
C2B C 0.4217(8) 0.6412(10) 0.8505(7) 0.059(4) Uani 1 1 d . . . . .
C3B C 0.4171(9) 0.5945(9) 0.9330(7) 0.057(3) Uani 1 1 d . . . . .
H3B H 0.4197 0.5383 0.9494 0.068 Uiso 1 1 calc R U . . .
C4B C 0.4090(9) 0.6320(10) 0.9879(7) 0.059(4) Uani 1 1 d . . . . .
H4B H 0.4091 0.6006 1.0425 0.070 Uiso 1 1 calc R U . . .
C5B C 0.3924(10) 0.7499(10) 1.0261(8) 0.063(4) Uani 1 1 d . . . . .
H5B H 0.3890 0.7178 1.0805 0.076 Uiso 1 1 calc R U . . .
C6B C 0.3893(10) 0.8301(10) 1.0057(8) 0.069(4) Uani 1 1 d . . . . .
H6B H 0.3836 0.8538 1.0457 0.082 Uiso 1 1 calc R U . . .
C7B C 0.3944(10) 0.8779(10) 0.9256(9) 0.071(4) Uani 1 1 d . . . . .
H7B H 0.3925 0.9340 0.9115 0.086 Uiso 1 1 calc R U . . .
C8B C 0.4024(11) 0.8437(10) 0.8662(8) 0.074(4) Uani 1 1 d . . . . .
H8B H 0.4055 0.8765 0.8119 0.089 Uiso 1 1 calc R U . . .
C9B C 0.4058(8) 0.7606(9) 0.8870(7) 0.054(3) Uani 1 1 d . . . . .
C10B C 0.4007(9) 0.7137(9) 0.9672(7) 0.059(4) Uani 1 1 d . . . . .
C11B C 0.4124(9) 0.7755(9) 0.7444(7) 0.060(3) Uani 1 1 d . . . . .
H11B H 0.3911 0.8295 0.7350 0.072 Uiso 1 1 calc R U . . .
N1B N 0.4355(8) 0.7523(6) 0.6826(6) 0.057(3) Uani 1 1 d . . . . .
C12B C 0.4304(12) 0.8131(9) 0.6025(8) 0.069(4) Uani 1 1 d . . . . .
C13B C 0.3315(12) 0.8538(10) 0.5891(8) 0.083(5) Uani 1 1 d . . . . .
H13D H 0.3316 0.8932 0.5357 0.124 Uiso 1 1 calc R U . . .
H13E H 0.2861 0.8142 0.5948 0.124 Uiso 1 1 calc R U . . .
H13F H 0.3132 0.8801 0.6283 0.124 Uiso 1 1 calc R U . . .
C14B C 0.5056(15) 0.8724(10) 0.5906(9) 0.101(6) Uani 1 1 d . . . . .
H14D H 0.5030 0.9129 0.5378 0.152 Uiso 1 1 calc R U . . .
H14E H 0.4933 0.8979 0.6311 0.152 Uiso 1 1 calc R U . . .
H14F H 0.5687 0.8445 0.5953 0.152 Uiso 1 1 calc R U . . .
C15B C 0.4581(10) 0.7703(9) 0.5427(7) 0.062(4) Uani 1 1 d . . . . .
O1B O 0.4436(8) 0.8053(6) 0.4710(5) 0.082(3) Uani 1 1 d . . . . .
O3B O 0.4984(6) 0.7013(5) 0.5645(4) 0.053(2) Uani 1 1 d . . . . .
O2C O 0.0139(7) 0.7659(6) 0.2951(5) 0.074(3) Uani 1 1 d . . . . .
C1C C -0.0365(9) 0.8878(9) 0.3176(8) 0.063(4) Uani 1 1 d . . . . .
C2C C -0.0286(9) 0.8381(9) 0.2734(8) 0.066(4) Uani 1 1 d . . . . .
C3C C -0.0706(10) 0.8614(10) 0.1997(9) 0.074(4) Uani 1 1 d . . . . .
H3C H -0.0675 0.8259 0.1709 0.089 Uiso 1 1 calc R U . . .
C4C C -0.1161(10) 0.9368(10) 0.1702(9) 0.078(5) Uani 1 1 d . . . . .
H4C H -0.1431 0.9523 0.1207 0.094 Uiso 1 1 calc R U . . .
C5C C -0.1700(11) 1.0652(10) 0.1800(8) 0.080(5) Uani 1 1 d . . . . .
H5C H -0.2020 1.0777 0.1331 0.096 Uiso 1 1 calc R U . . .
C6C C -0.1685(14) 1.1201(12) 0.2181(10) 0.103(7) Uani 1 1 d . . . . .
H6C H -0.1986 1.1715 0.1961 0.124 Uiso 1 1 calc R U . . .
C7C C -0.1252(15) 1.1021(12) 0.2858(9) 0.119(8) Uani 1 1 d . . . . .
H7C H -0.1251 1.1416 0.3097 0.143 Uiso 1 1 calc R U . . .
C8C C -0.0814(12) 1.0287(11) 0.3213(9) 0.089(5) Uani 1 1 d . . . . .
H8C H -0.0513 1.0180 0.3688 0.107 Uiso 1 1 calc R U . . .
C9C C -0.0814(10) 0.9676(10) 0.2861(8) 0.073(4) Uani 1 1 d . . . . .
C10C C -0.1231(9) 0.9913(11) 0.2128(8) 0.075(5) Uani 1 1 d . . . . .
C11C C -0.0017(9) 0.8633(10) 0.3949(8) 0.068(4) Uani 1 1 d . . . . .
H11C H -0.0159 0.8972 0.4255 0.082 Uiso 1 1 calc R U . . .
N1C N 0.0467(8) 0.7993(7) 0.4242(6) 0.065(3) Uani 1 1 d . . . . .
C12C C 0.0767(9) 0.7733(10) 0.5073(7) 0.066(4) Uani 1 1 d . . . . .
C13C C -0.0004(11) 0.7224(10) 0.5650(8) 0.083(5) Uani 1 1 d . . . . .
H13G H 0.0187 0.7052 0.6194 0.124 Uiso 1 1 calc R U . . .
H13H H -0.0610 0.7541 0.5617 0.124 Uiso 1 1 calc R U . . .
H13I H -0.0075 0.6758 0.5504 0.124 Uiso 1 1 calc R U . . .
C14C C 0.0975(12) 0.8453(11) 0.5320(10) 0.096(6) Uani 1 1 d . . . . .
H14G H 0.1168 0.8257 0.5863 0.144 Uiso 1 1 calc R U . . .
H14H H 0.1487 0.8742 0.4959 0.144 Uiso 1 1 calc R U . . .
H14I H 0.0401 0.8808 0.5290 0.144 Uiso 1 1 calc R U . . .
C15C C 0.1667(10) 0.7184(8) 0.5098(7) 0.059(4) Uani 1 1 d . . . . .
O1C O 0.1734(6) 0.6837(6) 0.4563(4) 0.062(3) Uani 1 1 d . . . . .
O3C O 0.2253(6) 0.7064(6) 0.5587(5) 0.061(2) Uani 1 1 d . . . . .
O2D O 0.3486(6) 0.7442(6) 0.3665(5) 0.068(3) Uani 1 1 d . . . . .
C1D C 0.2754(10) 0.8213(11) 0.2521(9) 0.078(5) Uani 1 1 d . . . . .
C2D C 0.3070(11) 0.8079(10) 0.3270(9) 0.073(4) Uani 1 1 d . . . . .
C3D C 0.2927(17) 0.8761(12) 0.3547(13) 0.127(8) Uani 1 1 d . . . . .
H3D H 0.3220 0.8730 0.4007 0.152 Uiso 1 1 calc R U . . .
C4D C 0.2407(19) 0.9423(13) 0.3185(14) 0.147(10) Uani 1 1 d . . . . .
H4D H 0.2273 0.9814 0.3433 0.177 Uiso 1 1 calc R U . . .
C5D C 0.1504(13) 1.0257(14) 0.2047(16) 0.151(12) Uani 1 1 d . . . . .
H5D H 0.1376 1.0668 0.2270 0.182 Uiso 1 1 calc R U . . .
C6D C 0.1148(16) 1.0344(16) 0.1309(17) 0.156(12) Uani 1 1 d . . . . .
H6D H 0.0793 1.0820 0.1041 0.187 Uiso 1 1 calc R U . . .
C7D C 0.1313(16) 0.9721(15) 0.0952(17) 0.156(12) Uani 1 1 d . . . . .
H7D H 0.1084 0.9801 0.0453 0.187 Uiso 1 1 calc R U . . .
C8D C 0.1799(12) 0.9023(14) 0.1342(13) 0.142(11) Uani 1 1 d . . . . .
H8D H 0.1879 0.8601 0.1133 0.171 Uiso 1 1 calc R U . . .
C9D C 0.2187(13) 0.8940(13) 0.2077(12) 0.105(7) Uani 1 1 d . . . . .
C10D C 0.2049(13) 0.9559(12) 0.2444(14) 0.104(7) Uani 1 1 d . . . . .
C11D C 0.3038(12) 0.7630(14) 0.2166(11) 0.107(7) Uani 1 1 d . . . . .
H11D H 0.2966 0.7792 0.1614 0.128 Uiso 1 1 calc R U . . .
O1D O 0.3369(6) 0.6932(7) 0.2470(5) 0.071(3) Uani 1 1 d . . . . .
O2E O 0.2167(7) 0.5097(8) 0.9111(6) 0.088(4) Uani 1 1 d . . . . .
C1E C 0.2842(11) 0.3849(11) 1.0028(9) 0.080(5) Uani 1 1 d . . . . .
C2E C 0.2109(12) 0.4442(13) 0.9794(10) 0.089(4) Uani 1 1 d . . . . .
C3E C 0.1239(11) 0.4430(12) 1.0269(9) 0.089(4) Uani 1 1 d . . . . .
H3E H 0.0785 0.4867 1.0103 0.106 Uiso 1 1 calc R U . . .
C4E C 0.1021(12) 0.3811(12) 1.0960(9) 0.098(6) Uani 1 1 d . . . . .
H4E H 0.0402 0.3766 1.1224 0.118 Uiso 1 1 calc R U . . .
C5E C 0.1560(14) 0.2644(13) 1.2015(12) 0.101(4) Uani 1 1 d . . . . .
H5E H 0.0952 0.2640 1.2293 0.121 Uiso 1 1 calc R U . . .
C6E C 0.2251(18) 0.2095(16) 1.2307(17) 0.155(10) Uani 1 1 d . . . . .
H6E H 0.2102 0.1684 1.2792 0.186 Uiso 1 1 calc R U . . .
C7E C 0.3210(15) 0.2076(14) 1.1944(11) 0.123(8) Uani 1 1 d . . . . .
H7E H 0.3699 0.1716 1.2212 0.147 Uiso 1 1 calc R U . . .
C8E C 0.3387(14) 0.2644(11) 1.1137(12) 0.102(6) Uani 1 1 d . . . . .
H8E H 0.3971 0.2626 1.0830 0.122 Uiso 1 1 calc R U . . .
C9E C 0.2655(12) 0.3207(11) 1.0851(9) 0.084(5) Uani 1 1 d . . . . .
C10E C 0.1778(13) 0.3256(12) 1.1245(12) 0.101(4) Uani 1 1 d . . . . .
C11E C 0.3631(12) 0.3769(13) 0.9607(10) 0.096(6) Uani 1 1 d . . . . .
H11E H 0.4083 0.3343 0.9825 0.115 Uiso 1 1 calc R U . . .
O1E O 0.3808(7) 0.4273(7) 0.8884(5) 0.079(3) Uani 1 1 d . . . . .
O1F O 0.2831(5) 0.4704(5) 0.6108(4) 0.048(2) Uani 1 1 d . . . . .
O2F O 0.2319(5) 0.5117(5) 0.4903(4) 0.054(2) Uani 1 1 d . . . . .
C1F C 0.2231(8) 0.4713(8) 0.5619(7) 0.049(3) Uani 1 1 d . . . . .
C2F C 0.1332(9) 0.4300(8) 0.5965(7) 0.055(3) Uani 1 1 d . . . . .
N1F N 0.1596(7) 0.3581(6) 0.6661(5) 0.054(3) Uani 1 1 d . . . . .
H1F1 H 0.1764 0.3161 0.6494 0.064 Uiso 1 1 calc R U . . .
H1F2 H 0.1085 0.3457 0.7022 0.064 Uiso 1 1 calc R U . . .
C3F C 0.0892(9) 0.4064(9) 0.5344(7) 0.064(4) Uani 1 1 d . . . . .
H3F1 H 0.1329 0.3682 0.5183 0.097 Uiso 1 1 calc R U . . .
H3F2 H 0.0776 0.4537 0.4881 0.097 Uiso 1 1 calc R U . . .
H3F3 H 0.0291 0.3824 0.5572 0.097 Uiso 1 1 calc R U . . .
C4F C 0.0654(9) 0.4868(9) 0.6269(8) 0.068(4) Uani 1 1 d . . . . .
H4F1 H 0.0041 0.4634 0.6458 0.102 Uiso 1 1 calc R U . . .
H4F2 H 0.0564 0.5374 0.5837 0.102 Uiso 1 1 calc R U . . .
H4F3 H 0.0925 0.4958 0.6705 0.102 Uiso 1 1 calc R U . . .
O1G O 0.5515(5) 0.5443(5) 0.6703(4) 0.048(2) Uani 1 1 d . . . . .
O2G O 0.6928(5) 0.4784(6) 0.6673(4) 0.055(2) Uani 1 1 d . . . . .
C1G C 0.6382(8) 0.5304(8) 0.6838(6) 0.046(3) Uani 1 1 d . . . . .
C2G C 0.6807(9) 0.5792(10) 0.7269(8) 0.063(4) Uani 1 1 d . . . . .
N1G N 0.6210(7) 0.6568(7) 0.7069(6) 0.062(3) Uani 1 1 d . . . . .
H1G1 H 0.6487 0.6927 0.6629 0.075 Uiso 1 1 calc R U . . .
H1G2 H 0.6193 0.6759 0.7476 0.075 Uiso 1 1 calc R U . . .
C3G C 0.6642(10) 0.5334(10) 0.8157(7) 0.071(4) Uani 1 1 d . . . . .
H3G1 H 0.6869 0.5632 0.8459 0.107 Uiso 1 1 calc R U . . .
H3G2 H 0.6989 0.4813 0.8284 0.107 Uiso 1 1 calc R U . . .
H3G3 H 0.5962 0.5265 0.8297 0.107 Uiso 1 1 calc R U . . .
C4G C 0.7859(10) 0.5925(11) 0.7021(10) 0.087(5) Uani 1 1 d . . . . .
H4G1 H 0.7947 0.6176 0.6444 0.131 Uiso 1 1 calc R U . . .
H4G2 H 0.8230 0.5415 0.7183 0.131 Uiso 1 1 calc R U . . .
H4G3 H 0.8074 0.6271 0.7277 0.131 Uiso 1 1 calc R U . . .
O13 O 0.1528(6) 0.5992(6) 0.7347(5) 0.067(3) Uani 1 1 d . . . . .
O23 O 0.2376(7) 0.6703(7) 0.7763(6) 0.081(3) Uani 1 1 d . . . . .
N13 N 0.1624(9) 0.6645(9) 0.7476(7) 0.074(3) Uani 1 1 d . . . . .
O33 O 0.0971(9) 0.7181(8) 0.7368(7) 0.103(4) Uani 1 1 d . . . . .
O1M O 0.1527(5) 0.6519(5) 0.3325(4) 0.052(2) Uani 1 1 d . . . . .
C1M C 0.1342(9) 0.6520(9) 0.2573(7) 0.063(4) Uani 1 1 d . . . . .
H1M1 H 0.0715 0.6321 0.2605 0.095 Uiso 1 1 calc R U . . .
H1M2 H 0.1828 0.6176 0.2398 0.095 Uiso 1 1 calc R U . . .
H1M3 H 0.1355 0.7061 0.2192 0.095 Uiso 1 1 calc R U . . .
O1X O 0.6497(17) 0.7404(14) 0.4428(12) 0.086(6) Uiso 0.55 1 d D . P A 1
O2X O 0.7034(14) 0.6380(12) 0.5379(13) 0.094(6) Uiso 0.55 1 d D . P A 1
O3X O 0.7140(12) 0.7618(11) 0.5413(10) 0.073(5) Uiso 0.55 1 d D . P A 1
N1X N 0.6927(16) 0.7150(12) 0.5060(13) 0.079(7) Uiso 0.55 1 d D . P A 1
O1Y O 0.6783(14) 0.6759(13) 0.4759(13) 0.064(5) Uiso 0.45 1 d D . P A 2
O2Y O 0.6182(17) 0.7938(16) 0.4160(15) 0.091(7) Uiso 0.45 1 d D . P A 2
O3Y O 0.775(2) 0.771(2) 0.428(2) 0.149(13) Uiso 0.45 1 d D . P A 2
N1Y N 0.691(2) 0.7502(15) 0.448(2) 0.097(12) Uiso 0.45 1 d D . P A 2
N2N N 0.186(3) 1.067(3) 0.467(2) 0.054(10) Uiso 0.25 1 d . . P B 3
C3N C 0.233(3) 1.063(3) 0.514(3) 0.046(11) Uiso 0.25 1 d . . P B 3
C4N C 0.285(3) 1.061(3) 0.581(3) 0.049(11) Uiso 0.25 1 d . . P B 3
H4N1 H 0.2698 1.1102 0.5923 0.074 Uiso 0.25 1 calc R U P B 3
H4N2 H 0.3535 1.0556 0.5664 0.074 Uiso 0.25 1 calc R U P B 3
H4N3 H 0.2674 1.0157 0.6276 0.074 Uiso 0.25 1 calc R U P B 3
N1N N 0.495(4) 1.005(3) 0.705(3) 0.079(14) Uiso 0.25 1 d . . P C 4
C1N C 0.430(4) 1.019(3) 0.686(3) 0.062(14) Uiso 0.25 1 d . . P C 4
C2N C 0.351(4) 1.047(3) 0.662(3) 0.066(15) Uiso 0.25 1 d . . P C 4
H2N1 H 0.3183 1.0067 0.6512 0.099 Uiso 0.25 1 calc R U P C 4
H2N2 H 0.3129 1.0637 0.7030 0.099 Uiso 0.25 1 calc R U P C 4
H2N3 H 0.3589 1.0928 0.6135 0.099 Uiso 0.25 1 calc R U P C 4
O1W O 0.585(5) 1.002(5) 0.826(4) 0.18(3) Uiso 0.25 1 d . . P D 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 '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
Dy1 Dy11 Dy12 4.9(10) . .
Dy1 Dy11 O3 121.5(18) . 2_666
Dy12 Dy11 O3 119.9(16) . 2_666
Dy1 Dy11 O1G 123.2(17) . .
Dy12 Dy11 O1G 127.9(15) . .
O3 Dy11 O1G 95.2(8) 2_666 .
Dy1 Dy11 O1 96.3(16) . .
Dy12 Dy11 O1 91.5(14) . .
O3 Dy11 O1 78.3(6) 2_666 .
O1G Dy11 O1 135.4(9) . .
Dy1 Dy11 O5 95.1(16) . .
Dy12 Dy11 O5 94.9(15) . .
O3 Dy11 O5 138.5(9) 2_666 .
O1G Dy11 O5 77.9(6) . .
O1 Dy11 O5 78.8(5) . .
Dy1 Dy11 O2 61.8(14) . .
Dy12 Dy11 O2 65.5(13) . .
O3 Dy11 O2 87.3(6) 2_666 .
O1G Dy11 O2 80.4(5) . .
O1 Dy11 O2 141.9(8) . .
O5 Dy11 O2 130.4(7) . .
Dy1 Dy11 O4 50.4(13) . .
Dy12 Dy11 O4 54.1(12) . .
O3 Dy11 O4 154.7(7) 2_666 .
O1G Dy11 O4 77.5(5) . .
O1 Dy11 O4 123.8(7) . .
O5 Dy11 O4 64.3(4) . .
O2 Dy11 O4 67.7(4) . .
Dy1 Dy11 O3 50.8(14) . .
Dy12 Dy11 O3 48.8(13) . .
O3 Dy11 O3 71.1(5) 2_666 .
O1G Dy11 O3 139.1(7) . .
O1 Dy11 O3 80.8(5) . .
O5 Dy11 O3 137.5(7) . .
O2 Dy11 O3 61.2(4) . .
O4 Dy11 O3 98.6(6) . .
Dy1 Dy11 O1F 28.0(13) . .
Dy12 Dy11 O1F 24.8(12) . .
O3 Dy11 O1F 129.8(7) 2_666 .
O1G Dy11 O1F 133.6(7) . .
O1 Dy11 O1F 73.8(5) . .
O5 Dy11 O1F 74.7(5) . .
O2 Dy11 O1F 89.8(6) . .
O4 Dy11 O1F 57.1(4) . .
O3 Dy11 O1F 63.9(5) . .
Dy1 Dy11 Ni2 130.3(17) . .
Dy12 Dy11 Ni2 132.2(15) . .
O3 Dy11 Ni2 107.9(7) 2_666 .
O1G Dy11 Ni2 41.6(4) . .
O1 Dy11 Ni2 98.1(6) . .
O5 Dy11 Ni2 42.7(3) . .
O2 Dy11 Ni2 119.9(5) . .
O4 Dy11 Ni2 82.7(4) . .
O3 Dy11 Ni2 178.6(6) . .
O1F Dy11 Ni2 116.6(5) . .
Dy1 Dy11 Dy32 124.3(17) . .
Dy12 Dy11 Dy32 119.6(16) . .
O3 Dy11 Dy32 45.6(5) 2_666 .
O1G Dy11 Dy32 112.5(10) . .
O1 Dy11 Dy32 36.4(5) . .
O5 Dy11 Dy32 99.0(7) . .
O2 Dy11 Dy32 130.6(7) . .
O4 Dy11 Dy32 159.2(7) . .
O3 Dy11 Dy32 85.5(6) . .
O1F Dy11 Dy32 108.2(6) . .
Ni2 Dy11 Dy32 93.0(7) . .
Dy1 Dy12 Dy11 4.3(9) . .
Dy1 Dy12 O1F 143(2) . .
Dy11 Dy12 O1F 140.1(19) . .
Dy1 Dy12 O3 110(2) . .
Dy11 Dy12 O3 108.0(16) . .
O1F Dy12 O3 94.0(10) . .
Dy1 Dy12 O4 98(2) . .
Dy11 Dy12 O4 101.3(16) . .
O1F Dy12 O4 80.2(8) . .
O3 Dy12 O4 139.5(11) . .
Dy1 Dy12 O2 84.7(19) . .
Dy11 Dy12 O2 88.0(14) . .
O1F Dy12 O2 130.8(12) . .
O3 Dy12 O2 73.8(7) . .
O4 Dy12 O2 80.0(6) . .
Dy1 Dy12 O1 66.1(17) . .
Dy11 Dy12 O1 61.8(12) . .
O1F Dy12 O1 87.4(8) . .
O3 Dy12 O1 87.0(7) . .
O4 Dy12 O1 132.1(9) . .
O2 Dy12 O1 137.3(9) . .
Dy1 Dy12 O5 59.9(17) . .
Dy11 Dy12 O5 59.6(13) . .
O1F Dy12 O5 86.3(8) . .
O3 Dy12 O5 154.3(9) . .
O4 Dy12 O5 65.9(6) . .
O2 Dy12 O5 124.4(9) . .
O1 Dy12 O5 67.3(6) . .
Dy1 Dy12 O3 41.0(15) . 2_666
Dy11 Dy12 O3 39.2(11) . 2_666
O1F Dy12 O3 143.6(9) . 2_666
O3 Dy12 O3 68.8(6) . 2_666
O4 Dy12 O3 133.8(10) . 2_666
O2 Dy12 O3 76.7(6) . 2_666
O1 Dy12 O3 60.8(5) . 2_666
O5 Dy12 O3 96.2(8) . 2_666
Dy1 Dy12 C1F 142(2) . .
Dy11 Dy12 C1F 137.9(16) . .
O1F Dy12 C1F 18.6(4) . .
O3 Dy12 C1F 77.9(7) . .
O4 Dy12 C1F 98.6(8) . .
O2 Dy12 C1F 132.1(10) . .
O1 Dy12 C1F 77.4(6) . .
O5 Dy12 C1F 96.7(7) . .
O3 Dy12 C1F 126.5(7) 2_666 .
Dy1 Dy12 Ni1 141(2) . .
Dy11 Dy12 Ni1 143.8(17) . .
O1F Dy12 Ni1 42.9(5) . .
O3 Dy12 Ni1 107.4(9) . .
O4 Dy12 Ni1 44.3(4) . .
O2 Dy12 Ni1 94.6(7) . .
O1 Dy12 Ni1 127.8(8) . .
O5 Dy12 Ni1 90.2(6) . .
O3 Dy12 Ni1 171.1(8) 2_666 .
C1F Dy12 Ni1 58.4(5) . .
Dy1 Dy12 Dy32 110(2) . 2_666
Dy11 Dy12 Dy32 112.1(16) . 2_666
O1F Dy12 Dy32 106.8(11) . 2_666
O3 Dy12 Dy32 43.6(6) . 2_666
O4 Dy12 Dy32 99.5(8) . 2_666
O2 Dy12 Dy32 34.9(5) . 2_666
O1 Dy12 Dy32 128.3(8) . 2_666
O5 Dy12 Dy32 158.9(9) . 2_666
O3 Dy12 Dy32 83.1(6) 2_666 2_666
C1F Dy12 Dy32 100.6(9) . 2_666
Ni1 Dy12 Dy32 88.7(7) . 2_666
Dy1 Dy12 H3 121.6 . .
Dy11 Dy12 H3 118.9 . .
O1F Dy12 H3 75.8 . .
O3 Dy12 H3 19.2 . .
O4 Dy12 H3 138.4 . .
O2 Dy12 H3 90.6 . .
O1 Dy12 H3 80.3 . .
O5 Dy12 H3 143.6 . .
O3 Dy12 H3 81.3 2_666 .
C1F Dy12 H3 59.0 . .
Ni1 Dy12 H3 97.2 . .
Dy32 Dy12 H3 57.3 2_666 .
Dy2 Dy21 Dy22 10.0(14) . .
Dy2 Dy21 O2D 146(3) . .
Dy22 Dy21 O2D 155.5(18) . .
Dy2 Dy21 O2 122(2) . 2_666
Dy22 Dy21 O2 113.4(17) . 2_666
O2D Dy21 O2 91.1(9) . 2_666
Dy2 Dy21 O1 102(2) . .
Dy22 Dy21 O1 104.7(15) . .
O2D Dy21 O1 80.3(8) . .
O2 Dy21 O1 75.7(6) 2_666 .
Dy2 Dy21 O1D 109(2) . .
Dy22 Dy21 O1D 104.4(16) . .
O2D Dy21 O1D 78.3(7) . .
O2 Dy21 O1D 81.9(7) 2_666 .
O1 Dy21 O1D 148.5(10) . .
Dy2 Dy21 O1C 68(2) . .
Dy22 Dy21 O1C 77.9(14) . .
O2D Dy21 O1C 79.7(7) . .
O2 Dy21 O1C 154.1(9) 2_666 .
O1 Dy21 O1C 78.9(6) . .
O1D Dy21 O1C 119.2(7) . .
Dy2 Dy21 O1M 49.4(17) . .
Dy22 Dy21 O1M 53.7(13) . .
O2D Dy21 O1M 105.7(8) . .
O2 Dy21 O1M 146.5(9) 2_666 .
O1 Dy21 O1M 134.9(8) . .
O1D Dy21 O1M 73.7(6) . .
O1C Dy21 O1M 59.3(5) . .
Dy2 Dy21 O2G 51.7(19) . 2_666
Dy22 Dy21 O2G 42.0(13) . 2_666
O2D Dy21 O2G 153.4(9) . 2_666
O2 Dy21 O2G 79.5(7) 2_666 2_666
O1 Dy21 O2G 120.4(8) . 2_666
O1D Dy21 O2G 75.8(6) . 2_666
O1C Dy21 O2G 118.5(8) . 2_666
O1M Dy21 O2G 72.5(6) . 2_666
Dy2 Dy21 Dy32 145(2) . .
Dy22 Dy21 Dy32 142.9(17) . .
O2D Dy21 Dy32 55.8(8) . .
O2 Dy21 Dy32 46.8(6) 2_666 .
O1 Dy21 Dy32 45.9(6) . .
O1D Dy21 Dy32 102.7(9) . .
O1C Dy21 Dy32 109.9(9) . .
O1M Dy21 Dy32 161.3(10) . .
O2G Dy21 Dy32 125.0(8) 2_666 .
Dy2 Dy21 O2F 29.6(16) . .
Dy22 Dy21 O2F 32.0(12) . .
O2D Dy21 O2F 141.3(9) . .
O2 Dy21 O2F 108.2(7) 2_666 .
O1 Dy21 O2F 72.9(5) . .
O1D Dy21 O2F 136.2(9) . .
O1C Dy21 O2F 68.3(5) . .
O1M Dy21 O2F 76.5(6) . .
O2G Dy21 O2F 65.1(5) 2_666 .
Dy32 Dy21 O2F 115.3(8) . .
Dy2 Dy21 C2D 131(2) . .
Dy22 Dy21 C2D 138.6(16) . .
O2D Dy21 C2D 20.3(5) . .
O2 Dy21 C2D 105.7(8) 2_666 .
O1 Dy21 C2D 97.6(8) . .
O1D Dy21 C2D 67.4(6) . .
O1C Dy21 C2D 72.7(6) . .
O1M Dy21 C2D 86.0(6) . .
O2G Dy21 C2D 141.4(7) 2_666 .
Dy32 Dy21 C2D 75.8(8) . .
O2F Dy21 C2D 140.9(8) . .
Dy2 Dy22 Dy21 7.4(10) . .
Dy2 Dy22 O2F 126(2) . .
Dy21 Dy22 O2F 128.8(18) . .
Dy2 Dy22 O2G 120.9(19) . 2_666
Dy21 Dy22 O2G 113.7(17) . 2_666
O2F Dy22 O2G 99.7(12) . 2_666
Dy2 Dy22 O1M 96.2(17) . .
Dy21 Dy22 O1M 99.9(16) . .
O2F Dy22 O1M 111.9(10) . .
O2G Dy22 O1M 99.5(10) 2_666 .
Dy2 Dy22 O1C 68.6(16) . .
Dy21 Dy22 O1C 76.1(15) . .
O2F Dy22 O1C 82.6(7) . .
O2G Dy22 O1C 163.3(11) 2_666 .
O1M Dy22 O1C 64.6(6) . .
Dy2 Dy22 O2 50.3(14) . 2_666
Dy21 Dy22 O2 43.4(13) . 2_666
O2F Dy22 O2 115.4(8) . 2_666
O2G Dy22 O2 78.6(7) 2_666 2_666
O1M Dy22 O2 132.3(9) . 2_666
O1C Dy22 O2 115.6(10) . 2_666
Dy2 Dy22 O1 49.6(14) . .
Dy21 Dy22 O1 51.2(13) . .
O2F Dy22 O1 77.9(7) . .
O2G Dy22 O1 127.1(9) 2_666 .
O1M Dy22 O1 130.9(10) . .
O1C Dy22 O1 69.7(6) . .
O2 Dy22 O1 57.1(5) 2_666 .
Dy2 Dy22 O1D 55.6(14) . .
Dy21 Dy22 O1D 51.8(13) . .
O2F Dy22 O1D 175.6(11) . .
O2G Dy22 O1D 76.7(7) 2_666 .
O1M Dy22 O1D 71.4(6) . .
O1C Dy22 O1D 101.6(8) . .
O2 Dy22 O1D 61.7(5) 2_666 .
O1 Dy22 O1D 102.2(8) . .
Dy2 Dy22 Ni3 79.6(16) . .
Dy21 Dy22 Ni3 85.8(14) . .
O2F Dy22 Ni3 101.4(7) . .
O2G Dy22 Ni3 130.4(9) 2_666 .
O1M Dy22 Ni3 30.9(4) . .
O1C Dy22 Ni3 34.0(3) . .
O2 Dy22 Ni3 128.7(9) 2_666 .
O1 Dy22 Ni3 101.1(7) . .
O1D Dy22 Ni3 82.9(5) . .
Dy2 Dy22 Dy32 29.0(14) . .
Dy21 Dy22 Dy32 26.0(12) . .
O2F Dy22 Dy32 107.3(9) . .
O2G Dy22 Dy32 110.0(9) 2_666 .
O1M Dy22 Dy32 125.2(10) . .
O1C Dy22 Dy32 84.7(7) . .
O2 Dy22 Dy32 31.5(5) 2_666 .
O1 Dy22 Dy32 31.5(4) . .
O1D Dy22 Dy32 72.0(6) . .
Ni3 Dy22 Dy32 105.6(7) . .
Dy3 Dy31 Dy32 8.5(12) . .
Dy3 Dy31 O1X 146.4(19) . .
Dy32 Dy31 O1X 152(2) . .
Dy3 Dy31 O2Y 168(2) . .
Dy32 Dy31 O2Y 175(2) . .
Dy3 Dy31 O3A 108.8(17) . 2_666
Dy32 Dy31 O3A 100.7(16) . 2_666
O1X Dy31 O3A 101.0(11) . 2_666
O2Y Dy31 O3A 81.0(11) . 2_666
Dy3 Dy31 O1A 104.2(18) . 2_666
Dy32 Dy31 O1A 97.9(17) . 2_666
O1X Dy31 O1A 78.5(10) . 2_666
O2Y Dy31 O1A 86.9(11) . 2_666
O3A Dy31 O1A 57.9(5) 2_666 2_666
Dy3 Dy31 O1B 95.9(16) . .
Dy32 Dy31 O1B 99.9(17) . .
O1X Dy31 O1B 95.2(11) . .
O2Y Dy31 O1B 75.3(11) . .
O3A Dy31 O1B 98.1(7) 2_666 .
O1A Dy31 O1B 152.5(10) 2_666 .
Dy3 Dy31 O1Y 118.3(17) . .
Dy32 Dy31 O1Y 122.6(18) . .
O2Y Dy31 O1Y 59.6(10) . .
O3A Dy31 O1Y 119.3(10) 2_666 .
O1A Dy31 O1Y 74.6(7) 2_666 .
O1B Dy31 O1Y 112.1(9) . .
Dy3 Dy31 O3B 82.2(15) . .
Dy32 Dy31 O3B 90.6(15) . .
O1X Dy31 O3B 79.1(9) . .
O2Y Dy31 O3B 85.9(10) . .
O3A Dy31 O3B 151.2(9) 2_666 .
O1A Dy31 O3B 147.0(7) 2_666 .
O1B Dy31 O3B 53.6(4) . .
O1Y Dy31 O3B 74.0(7) . .
Dy3 Dy31 N1Y 147.5(18) . .
Dy32 Dy31 N1Y 152.5(18) . .
O2Y Dy31 N1Y 29.6(8) . .
O3A Dy31 N1Y 99.7(11) 2_666 .
O1A Dy31 N1Y 77.8(10) 2_666 .
O1B Dy31 N1Y 95.2(11) . .
O1Y Dy31 N1Y 30.0(5) . .
O3B Dy31 N1Y 80.1(10) . .
Dy3 Dy31 C15A 110.8(17) . 2_666
Dy32 Dy31 C15A 102.5(16) . 2_666
O1X Dy31 C15A 87.8(10) . 2_666
O2Y Dy31 C15A 81.2(10) . 2_666
O3A Dy31 C15A 29.2(4) 2_666 2_666
O1A Dy31 C15A 28.8(4) 2_666 2_666
O1B Dy31 C15A 125.6(8) . 2_666
O1Y Dy31 C15A 96.0(8) . 2_666
O3B Dy31 C15A 166.6(10) . 2_666
N1Y Dy31 C15A 86.8(10) . 2_666
Dy3 Dy31 O3 54.5(13) . 2_666
Dy32 Dy31 O3 58.1(15) . 2_666
O1X Dy31 O3 93.5(9) . 2_666
O2Y Dy31 O3 123.8(10) . 2_666
O3A Dy31 O3 133.5(8) 2_666 2_666
O1A Dy31 O3 82.8(6) 2_666 2_666
O1B Dy31 O3 124.5(7) . 2_666
O1Y Dy31 O3 64.4(6) . 2_666
O3B Dy31 O3 74.8(5) . 2_666
N1Y Dy31 O3 94.4(7) . 2_666
C15A Dy31 O3 109.4(7) 2_666 2_666
Dy3 Dy32 Dy31 9.1(12) . .
Dy3 Dy32 O1 133(3) . .
Dy31 Dy32 O1 141(2) . .
Dy3 Dy32 O2 140(3) . 2_666
Dy31 Dy32 O2 132.8(19) . 2_666
O1 Dy32 O2 84.6(10) . 2_666
Dy3 Dy32 O2D 113(3) . .
Dy31 Dy32 O2D 109.0(18) . .
O1 Dy32 O2D 79.3(8) . .
O2 Dy32 O2D 84.3(9) 2_666 .
Dy3 Dy32 O3 93(2) . 2_666
Dy31 Dy32 O3 97.3(17) . 2_666
O1 Dy32 O3 78.8(8) . 2_666
O2 Dy32 O3 79.3(9) 2_666 2_666
O2D Dy32 O3 153.7(12) . 2_666
Dy3 Dy32 Dy21 157(3) . .
Dy31 Dy32 Dy21 152.0(19) . .
O1 Dy32 Dy21 55.3(8) . .
O2 Dy32 Dy21 49.7(7) 2_666 .
O2D Dy32 Dy21 44.8(6) . .
O3 Dy32 Dy21 109.6(10) 2_666 .
Dy3 Dy32 O3A 63(2) . 2_666
Dy31 Dy32 O3A 54.7(13) . 2_666
O1 Dy32 O3A 149.6(11) . 2_666
O2 Dy32 O3A 91.8(8) 2_666 2_666
O2D Dy32 O3A 70.3(7) . 2_666
O3 Dy32 O3A 130.3(9) 2_666 2_666
Dy21 Dy32 O3A 100.2(8) . 2_666
Dy3 Dy32 O1A 64(2) . 2_666
Dy31 Dy32 O1A 57.4(14) . 2_666
O1 Dy32 O1A 155.0(12) . 2_666
O2 Dy32 O1A 75.6(8) 2_666 2_666
O2D Dy32 O1A 113.1(9) . 2_666
O3 Dy32 O1A 82.6(7) 2_666 2_666
Dy21 Dy32 O1A 117.5(9) . 2_666
O3A Dy32 O1A 48.0(4) 2_666 2_666
Dy3 Dy32 O1B 52(2) . .
Dy31 Dy32 O1B 56.1(14) . .
O1 Dy32 O1B 93.6(9) . .
O2 Dy32 O1B 157.3(11) 2_666 .
O2D Dy32 O1B 73.1(7) . .
O3 Dy32 O1B 122.6(10) 2_666 .
Dy21 Dy32 O1B 111.5(9) . .
O3A Dy32 O1B 78.3(7) 2_666 .
O1A Dy32 O1B 110.5(9) 2_666 .
Dy3 Dy32 O3B 56(2) . .
Dy31 Dy32 O3B 65.5(14) . .
O1 Dy32 O3B 76.5(7) . .
O2 Dy32 O3B 151.7(11) 2_666 .
O2D Dy32 O3B 112.0(9) . .
O3 Dy32 O3B 76.6(7) 2_666 .
Dy21 Dy32 O3B 127.3(9) . .
O3A Dy32 O3B 115.0(9) 2_666 .
O1A Dy32 O3B 115.2(9) 2_666 .
O1B Dy32 O3B 46.7(5) . .
Dy3 Dy32 Dy2 162(3) . .
Dy31 Dy32 Dy2 157.2(18) . .
O1 Dy32 Dy2 50.6(6) . .
O2 Dy32 Dy2 49.6(6) 2_666 .
O2D Dy32 Dy2 49.1(5) . .
O3 Dy32 Dy2 105.0(9) 2_666 .
Dy21 Dy32 Dy2 5.4(4) . .
O3A Dy32 Dy2 105.6(7) 2_666 .
O1A Dy32 Dy2 120.4(8) 2_666 .
O1B Dy32 Dy2 113.1(8) . .
O3B Dy32 Dy2 124.2(7) . .
Dy3 Dy32 H1 118.7 . .
Dy31 Dy32 H1 126.3 . .
O1 Dy32 H1 19.1 . .
O2 Dy32 H1 100.9 2_666 .
O2D Dy32 H1 71.3 . .
O3 Dy32 H1 91.6 2_666 .
Dy21 Dy32 H1 62.1 . .
O3A Dy32 H1 138.0 2_666 .
O1A Dy32 H1 173.7 2_666 .
O1B Dy32 H1 74.7 . .
O3B Dy32 H1 65.5 . .
Dy2 Dy32 H1 58.7 . .
Dy4 Dy41 Dy42 17.1(16) . .
Dy4 Dy41 O2B 126.0(17) . .
Dy42 Dy41 O2B 143.0(19) . .
Dy4 Dy41 O5 112.7(18) . .
Dy42 Dy41 O5 108(2) . .
O2B Dy41 O5 86.5(7) . .
Dy4 Dy41 O23 131.7(17) . .
Dy42 Dy41 O23 119.3(19) . .
O2B Dy41 O23 91.1(9) . .
O5 Dy41 O23 97.6(9) . .
Dy4 Dy41 O13 85.4(14) . .
Dy42 Dy41 O13 68.6(18) . .
O2B Dy41 O13 147.4(11) . .
O5 Dy41 O13 88.8(6) . .
O23 Dy41 O13 57.6(5) . .
Dy4 Dy41 O2E 59.3(13) . .
Dy42 Dy41 O2E 61.5(17) . .
O2B Dy41 O2E 106.3(7) . .
O5 Dy41 O2E 167.2(9) . .
O23 Dy41 O2E 83.1(7) . .
O13 Dy41 O2E 80.7(6) . .
Dy4 Dy41 N13 110.6(15) . .
Dy42 Dy41 N13 95.1(18) . .
O2B Dy41 N13 118.7(10) . .
O5 Dy41 N13 92.7(7) . .
O23 Dy41 N13 28.3(4) . .
O13 Dy41 N13 29.4(4) . .
O2E Dy41 N13 81.8(6) . .
Dy4 Dy41 O4 51.8(13) . .
Dy42 Dy41 O4 58.4(17) . .
O2B Dy41 O4 99.7(6) . .
O5 Dy41 O4 67.4(5) . .
O23 Dy41 O4 160.7(8) . .
O13 Dy41 O4 108.1(7) . .
O2E Dy41 O4 108.8(8) . .
N13 Dy41 O4 135.9(7) . .
Dy4 Dy41 O1E 47.2(12) . .
Dy42 Dy41 O1E 64.1(16) . .
O2B Dy41 O1E 79.3(6) . .
O5 Dy41 O1E 121.8(8) . .
O23 Dy41 O1E 138.3(8) . .
O13 Dy41 O1E 129.3(9) . .
O2E Dy41 O1E 61.6(5) . .
N13 Dy41 O1E 143.1(7) . .
O4 Dy41 O1E 60.2(5) . .
Dy4 Dy41 C2B 129.5(16) . .
Dy42 Dy41 C2B 143.5(19) . .
O2B Dy41 C2B 24.7(4) . .
O5 Dy41 C2B 104.4(8) . .
O23 Dy41 C2B 72.2(7) . .
O13 Dy41 C2B 129.4(8) . .
O2E Dy41 C2B 88.1(6) . .
N13 Dy41 C2B 100.4(8) . .
O4 Dy41 C2B 122.1(6) . .
O1E Dy41 C2B 84.4(5) . .
Dy4 Dy41 O2A 24.0(11) . .
Dy42 Dy41 O2A 7.6(16) . .
O2B Dy41 O2A 149.4(9) . .
O5 Dy41 O2A 102.0(7) . .
O23 Dy41 O2A 116.3(7) . .
O13 Dy41 O2A 62.9(5) . .
O2E Dy41 O2A 66.6(5) . .
N13 Dy41 O2A 90.5(6) . .
O4 Dy41 O2A 58.6(5) . .
O1E Dy41 O2A 71.2(6) . .
C2B Dy41 O2A 150.8(7) . .
Dy4 Dy41 H5 118.4 . .
Dy42 Dy41 H5 108.1 . .
O2B Dy41 H5 96.4 . .
O5 Dy41 H5 19.4 . .
O23 Dy41 H5 80.8 . .
O13 Dy41 H5 71.6 . .
O2E Dy41 H5 152.3 . .
N13 Dy41 H5 73.3 . .
O4 Dy41 H5 82.1 . .
O1E Dy41 H5 140.3 . .
C2B Dy41 H5 108.0 . .
O2A Dy41 H5 101.0 . .
Dy4 Dy42 Dy41 19.9(19) . .
Dy4 Dy42 O2A 169(4) . .
Dy41 Dy42 O2A 168(3) . .
Dy4 Dy42 O2E 89(3) . .
Dy41 Dy42 O2E 93(2) . .
O2A Dy42 O2E 94.9(12) . .
Dy4 Dy42 O13 104(3) . .
Dy41 Dy42 O13 84.7(18) . .
O2A Dy42 O13 86.0(12) . .
O2E Dy42 O13 91.2(11) . .
Dy4 Dy42 O4 88(3) . .
Dy41 Dy42 O4 97.9(19) . .
O2A Dy42 O4 82.2(12) . .
O2E Dy42 O4 138.4(14) . .
O13 Dy42 O4 129.6(13) . .
Dy4 Dy42 O1E 73(3) . .
Dy41 Dy42 O1E 92.4(19) . .
O2A Dy42 O1E 98.9(12) . .
O2E Dy42 O1E 70.1(9) . .
O13 Dy42 O1E 161.0(14) . .
O4 Dy42 O1E 69.4(8) . .
Dy4 Dy42 O5 57(3) . .
Dy41 Dy42 O5 48.4(15) . .
O2A Dy42 O5 122.1(14) . .
O2E Dy42 O5 140.8(14) . .
O13 Dy42 O5 80.1(9) . .
O4 Dy42 O5 66.1(7) . .
O1E Dy42 O5 111.8(11) . .
Dy4 Dy42 O23 57(3) . .
Dy41 Dy42 O23 40.7(15) . .
O2A Dy42 O23 133.7(14) . .
O2E Dy42 O23 74.8(9) . .
O13 Dy42 O23 50.1(7) . .
O4 Dy42 O23 134.6(11) . .
O1E Dy42 O23 118.3(12) . .
O5 Dy42 O23 70.3(7) . .
Dy4 Dy42 C2A 164(3) . .
Dy41 Dy42 C2A 163(2) . .
O2A Dy42 C2A 19.1(5) . .
O2E Dy42 C2A 76.2(8) . .
O13 Dy42 C2A 82.7(10) . .
O4 Dy42 C2A 98.8(11) . .
O1E Dy42 C2A 95.9(9) . .
O5 Dy42 C2A 138.9(12) . .
O23 Dy42 C2A 122.7(10) . .
Dy4 Dy42 N13 81(3) . .
Dy41 Dy42 N13 63.1(16) . .
O2A Dy42 N13 109.2(13) . .
O2E Dy42 N13 80.6(9) . .
O13 Dy42 N13 24.9(5) . .
O4 Dy42 N13 139.6(11) . .
O1E Dy42 N13 140.8(13) . .
O5 Dy42 N13 75.6(8) . .
O23 Dy42 N13 25.4(4) . .
C2A Dy42 N13 101.8(10) . .
Dy4 Dy42 Ni1 132(3) . .
Dy41 Dy42 Ni1 137(2) . .
O2A Dy42 Ni1 39.7(7) . .
O2E Dy42 Ni1 128.2(12) . .
O13 Dy42 Ni1 104.8(11) . .
O4 Dy42 Ni1 43.6(5) . .
O1E Dy42 Ni1 90.3(9) . .
O5 Dy42 Ni1 90.9(8) . .
O23 Dy42 Ni1 149.8(11) . .
C2A Dy42 Ni1 58.2(6) . .
N13 Dy42 Ni1 128.7(11) . .
Dy11 Dy1 Dy12 170.8(19) . .
Dy11 Dy1 O1F 145.8(15) . .
Dy12 Dy1 O1F 28.4(18) . .
Dy11 Dy1 O3 47.1(15) . 2_666
Dy12 Dy1 O3 129.3(18) . 2_666
O1F Dy1 O3 138.3(2) . 2_666
Dy11 Dy1 O2 106.5(15) . .
Dy12 Dy1 O2 80.5(18) . .
O1F Dy1 O2 107.7(3) . .
O3 Dy1 O2 85.3(3) 2_666 .
Dy11 Dy1 O1 70.5(15) . .
Dy12 Dy1 O1 100.4(18) . .
O1F Dy1 O1 81.3(3) . .
O3 Dy1 O1 69.8(3) 2_666 .
O2 Dy1 O1 148.6(2) . .
Dy11 Dy1 O4 119.6(15) . .
Dy12 Dy1 O4 67.5(18) . .
O1F Dy1 O4 67.6(2) . .
O3 Dy1 O4 152.8(2) 2_666 .
O2 Dy1 O4 76.4(3) . .
O1 Dy1 O4 133.3(3) . .
Dy11 Dy1 O5 72.0(16) . .
Dy12 Dy1 O5 107.5(19) . .
O1F Dy1 O5 82.2(3) . .
O3 Dy1 O5 116.2(3) 2_666 .
O2 Dy1 O5 135.8(2) . .
O1 Dy1 O5 74.3(3) . .
O4 Dy1 O5 67.9(3) . .
Dy11 Dy1 O1G 46.0(15) . .
Dy12 Dy1 O1G 142.9(18) . .
O1F Dy1 O1G 141.9(2) . .
O3 Dy1 O1G 78.8(3) 2_666 .
O2 Dy1 O1G 78.4(3) . .
O1 Dy1 O1G 113.4(3) . .
O4 Dy1 O1G 78.1(2) . .
O5 Dy1 O1G 69.6(3) . .
Dy11 Dy1 O3 119.3(16) . .
Dy12 Dy1 O3 56.9(18) . .
O1F Dy1 O3 75.8(3) . .
O3 Dy1 O3 72.5(3) 2_666 .
O2 Dy1 O3 68.7(3) . .
O1 Dy1 O3 85.3(3) . .
O4 Dy1 O3 117.4(3) . .
O5 Dy1 O3 152.0(3) . .
O1G Dy1 O3 137.5(3) . .
Dy11 Dy1 Ni2 42.8(15) . .
Dy12 Dy1 Ni2 140.4(18) . .
O1F Dy1 Ni2 118.3(2) . .
O3 Dy1 Ni2 89.8(2) 2_666 .
O2 Dy1 Ni2 113.3(2) . .
O1 Dy1 Ni2 86.2(2) . .
O4 Dy1 Ni2 79.5(2) . .
O5 Dy1 Ni2 36.53(19) . .
O1G Dy1 Ni2 35.77(19) . .
O3 Dy1 Ni2 162.15(18) . .
Dy11 Dy1 Ni1 152.5(15) . .
Dy12 Dy1 Ni1 32.6(18) . .
O1F Dy1 Ni1 35.10(17) . .
O3 Dy1 Ni1 159.9(2) 2_666 .
O2 Dy1 Ni1 82.4(2) . .
O1 Dy1 Ni1 115.19(18) . .
O4 Dy1 Ni1 35.94(18) . .
O5 Dy1 Ni1 83.52(19) . .
O1G Dy1 Ni1 113.93(18) . .
O3 Dy1 Ni1 88.18(18) . .
Ni2 Dy1 Ni1 109.65(5) . .
Dy21 Dy2 Dy22 163(2) . .
Dy21 Dy2 O1M 121.0(19) . .
Dy22 Dy2 O1M 66.7(16) . .
Dy21 Dy2 O2G 118(2) . 2_666
Dy22 Dy2 O2G 44.6(16) . 2_666
O1M Dy2 O2G 83.4(3) . 2_666
Dy21 Dy2 O2D 27(2) . .
Dy22 Dy2 O2D 168.5(16) . .
O1M Dy2 O2D 102.2(3) . .
O2G Dy2 O2D 140.4(3) 2_666 .
Dy21 Dy2 O2 47(2) . 2_666
Dy22 Dy2 O2 116.9(16) . 2_666
O1M Dy2 O2 145.6(3) . 2_666
O2G Dy2 O2 79.8(3) 2_666 2_666
O2D Dy2 O2 73.9(3) . 2_666
Dy21 Dy2 O2F 144.3(19) . .
Dy22 Dy2 O2F 40.7(15) . .
O1M Dy2 O2F 91.4(3) . .
O2G Dy2 O2F 76.6(3) 2_666 .
O2D Dy2 O2F 141.3(3) . .
O2 Dy2 O2F 113.3(3) 2_666 .
Dy21 Dy2 O1 66.2(19) . .
Dy22 Dy2 O1 117.9(15) . .
O1M Dy2 O1 144.3(3) . .
O2G Dy2 O1 126.1(3) 2_666 .
O2D Dy2 O1 69.0(3) . .
O2 Dy2 O1 67.3(3) 2_666 .
O2F Dy2 O1 78.8(3) . .
Dy21 Dy2 O1C 101(2) . .
Dy22 Dy2 O1C 96.4(16) . .
O1M Dy2 O1C 65.3(3) . .
O2G Dy2 O1C 138.7(3) 2_666 .
O2D Dy2 O1C 75.4(3) . .
O2 Dy2 O1C 140.6(3) 2_666 .
O2F Dy2 O1C 77.9(3) . .
O1 Dy2 O1C 79.1(3) . .
Dy21 Dy2 O1D 60(2) . .
Dy22 Dy2 O1D 111.4(16) . .
O1M Dy2 O1D 75.5(3) . .
O2G Dy2 O1D 77.3(3) 2_666 .
O2D Dy2 O1D 66.7(4) . .
O2 Dy2 O1D 71.7(3) 2_666 .
O2F Dy2 O1D 151.9(3) . .
O1 Dy2 O1D 125.9(3) . .
O1C Dy2 O1D 116.8(3) . .
Dy21 Dy2 Dy32 29.9(19) . .
Dy22 Dy2 Dy32 144.9(16) . .
O1M Dy2 Dy32 148.4(5) . .
O2G Dy2 Dy32 118.7(5) 2_666 .
O2D Dy2 Dy32 46.3(5) . .
O2 Dy2 Dy32 39.3(5) 2_666 .
O2F Dy2 Dy32 114.6(4) . .
O1 Dy2 Dy32 39.1(4) . .
O1C Dy2 Dy32 101.3(5) . .
O1D Dy2 Dy32 87.1(5) . .
Dy21 Dy2 Ni3 106(2) . .
Dy22 Dy2 Ni3 88.8(16) . .
O1M Dy2 Ni3 33.6(2) . .
O2G Dy2 Ni3 116.5(2) 2_666 .
O2D Dy2 Ni3 79.8(2) . .
O2 Dy2 Ni3 151.9(2) 2_666 .
O2F Dy2 Ni3 93.4(2) . .
O1 Dy2 Ni3 112.11(19) . .
O1C Dy2 Ni3 34.33(18) . .
O1D Dy2 Ni3 89.1(2) . .
Dy32 Dy2 Ni3 122.2(4) . .
Dy32 Dy3 Dy31 162(2) . .
Dy32 Dy3 O1 37(2) . .
Dy31 Dy3 O1 159.1(15) . .
Dy32 Dy3 O2 32(2) . 2_666
Dy31 Dy3 O2 134.0(15) . 2_666
O1 Dy3 O2 66.9(3) . 2_666
Dy32 Dy3 O3 74(2) . 2_666
Dy31 Dy3 O3 113.9(15) . 2_666
O1 Dy3 O3 69.6(3) . 2_666
O2 Dy3 O3 69.4(3) 2_666 2_666
Dy32 Dy3 O1X 161(2) . .
Dy31 Dy3 O1X 25.8(15) . .
O1 Dy3 O1X 143.2(5) . .
O2 Dy3 O1X 134.5(6) 2_666 .
O3 Dy3 O1X 89.5(6) 2_666 .
Dy32 Dy3 O1B 117(2) . .
Dy31 Dy3 O1B 70.1(15) . .
O1 Dy3 O1B 92.2(3) . .
O2 Dy3 O1B 143.8(3) 2_666 .
O3 Dy3 O1B 132.6(3) 2_666 .
O1X Dy3 O1B 79.8(7) . .
Dy32 Dy3 O3A 105(2) . 2_666
Dy31 Dy3 O3A 58.1(14) . 2_666
O1 Dy3 O3A 134.8(3) . 2_666
O2 Dy3 O3A 87.1(3) 2_666 2_666
O3 Dy3 O3A 136.0(3) 2_666 2_666
O1X Dy3 O3A 81.2(5) . 2_666
O1B Dy3 O3A 88.1(3) . 2_666
Dy32 Dy3 O1A 104(2) . 2_666
Dy31 Dy3 O1A 62.4(15) . 2_666
O1 Dy3 O1A 137.6(3) . 2_666
O2 Dy3 O1A 72.6(3) 2_666 2_666
O3 Dy3 O1A 85.0(3) 2_666 2_666
O1X Dy3 O1A 65.6(6) . 2_666
O1B Dy3 O1A 129.1(3) . 2_666
O3A Dy3 O1A 52.0(3) 2_666 2_666
Dy32 Dy3 O2D 56(2) . .
Dy31 Dy3 O2D 116.4(14) . .
O1 Dy3 O2D 66.8(3) . .
O2 Dy3 O2D 70.1(3) 2_666 .
O3 Dy3 O2D 129.0(3) 2_666 .
O1X Dy3 O2D 141.5(6) . .
O1B Dy3 O2D 74.5(4) . .
O3A Dy3 O2D 69.9(3) 2_666 .
O1A Dy3 O2D 110.8(3) 2_666 .
Dy32 Dy3 O2Y 171(2) . .
Dy31 Dy3 O2Y 9.2(16) . .
O1 Dy3 O2Y 150.0(6) . .
O2 Dy3 O2Y 143.0(6) 2_666 .
O3 Dy3 O2Y 112.9(6) 2_666 .
O1B Dy3 O2Y 63.4(7) . .
O3A Dy3 O2Y 65.6(6) 2_666 .
O1A Dy3 O2Y 70.9(6) 2_666 .
O2D Dy3 O2Y 118.1(6) . .
Dy32 Dy3 O3B 113(2) . .
Dy31 Dy3 O3B 84.3(15) . .
O1 Dy3 O3B 75.9(3) . .
O2 Dy3 O3B 138.1(3) 2_666 .
O3 Dy3 O3B 80.4(3) 2_666 .
O1X Dy3 O3B 70.8(6) . .
O1B Dy3 O3B 52.4(3) . .
O3A Dy3 O3B 134.2(3) 2_666 .
O1A Dy3 O3B 133.9(3) 2_666 .
O2D Dy3 O3B 112.4(3) . .
O2Y Dy3 O3B 75.2(6) . .
Dy42 Dy4 Dy41 143(3) . .
Dy42 Dy4 O2E 78(3) . .
Dy41 Dy4 O2E 107.2(15) . .
Dy42 Dy4 O5 111(3) . .
Dy41 Dy4 O5 53.1(14) . .
O2E Dy4 O5 158.0(4) . .
Dy42 Dy4 O2A 8(3) . .
Dy41 Dy4 O2A 149.9(14) . .
O2E Dy4 O2A 80.7(3) . .
O5 Dy4 O2A 111.4(3) . .
Dy42 Dy4 O4 79(3) . .
Dy41 Dy4 O4 116.3(14) . .
O2E Dy4 O4 132.5(4) . .
O5 Dy4 O4 69.5(3) . .
O2A Dy4 O4 71.3(3) . .
Dy42 Dy4 O1E 95(3) . .
Dy41 Dy4 O1E 121.7(14) . .
O2E Dy4 O1E 71.2(4) . .
O5 Dy4 O1E 125.6(3) . .
O2A Dy4 O1E 88.4(3) . .
O4 Dy4 O1E 70.5(3) . .
Dy42 Dy4 O2B 175(3) . .
Dy41 Dy4 O2B 42.0(13) . .
O2E Dy4 O2B 101.7(3) . .
O5 Dy4 O2B 70.9(3) . .
O2A Dy4 O2B 166.9(3) . .
O4 Dy4 O2B 98.4(3) . .
O1E Dy4 O2B 80.3(3) . .
Dy42 Dy4 O13 64(3) . .
Dy41 Dy4 O13 80.1(14) . .
O2E Dy4 O13 85.4(4) . .
O5 Dy4 O13 81.5(3) . .
O2A Dy4 O13 71.5(3) . .
O4 Dy4 O13 118.9(3) . .
O1E Dy4 O13 151.5(3) . .
O2B Dy4 O13 121.4(3) . .
O2E Dy4 O23 79.3(4) . .
O5 Dy4 O23 78.7(3) . .
O2A Dy4 O23 121.0(3) . .
O4 Dy4 O23 148.1(3) . .
O1E Dy4 O23 134.1(3) . .
O2B Dy4 O23 72.0(3) . .
O13 Dy4 O23 52.1(3) . .
Dy42 Dy4 N13 88(3) . .
Dy41 Dy4 N13 57.9(14) . .
O2E Dy4 N13 80.5(4) . .
O5 Dy4 N13 79.9(3) . .
O2A Dy4 N13 96.3(3) . .
O4 Dy4 N13 138.8(3) . .
O1E Dy4 N13 150.2(3) . .
O2B Dy4 N13 96.8(4) . .
O13 Dy4 N13 26.3(3) . .
O23 Dy4 N13 25.8(3) . .
Dy42 Dy4 Ni1 42(3) . .
Dy41 Dy4 Ni1 139.3(14) . .
O2E Dy4 Ni1 111.5(3) . .
O5 Dy4 Ni1 86.4(2) . .
O2A Dy4 Ni1 34.97(19) . .
O4 Dy4 Ni1 37.24(18) . .
O1E Dy4 Ni1 83.3(3) . .
O2B Dy4 Ni1 135.6(2) . .
O13 Dy4 Ni1 90.7(3) . .
O23 Dy4 Ni1 141.3(2) . .
N13 Dy4 Ni1 116.6(3) . .
N1A Ni1 O2A 88.3(4) . .
N1A Ni1 O1A 80.3(4) . .
O2A Ni1 O1A 164.6(3) . .
N1A Ni1 O1F 169.7(4) . .
O2A Ni1 O1F 102.0(3) . .
O1A Ni1 O1F 89.7(3) . .
N1A Ni1 O4 103.9(3) . .
O2A Ni1 O4 83.5(3) . .
O1A Ni1 O4 89.2(3) . .
O1F Ni1 O4 78.4(3) . .
N1A Ni1 N1F 98.5(4) . .
O2A Ni1 N1F 98.3(4) . .
O1A Ni1 N1F 93.5(4) . .
O1F Ni1 N1F 79.3(3) . .
O4 Ni1 N1F 157.5(3) . .
N1A Ni1 Dy12 138.9(5) . .
O2A Ni1 Dy12 112.2(5) . .
O1A Ni1 Dy12 71.6(5) . .
O1F Ni1 Dy12 37.2(4) . .
O4 Ni1 Dy12 47.9(5) . .
N1F Ni1 Dy12 112.3(5) . .
N1A Ni1 Dy42 103.9(6) . .
O2A Ni1 Dy42 35.0(6) . .
O1A Ni1 Dy42 138.7(6) . .
O1F Ni1 Dy42 85.4(6) . .
O4 Ni1 Dy42 49.6(6) . .
N1F Ni1 Dy42 125.4(6) . .
Dy12 Ni1 Dy42 80.3(7) . .
N1A Ni1 Dy4 105.4(3) . .
O2A Ni1 Dy4 41.7(2) . .
O1A Ni1 Dy4 132.2(2) . .
O1F Ni1 Dy4 83.2(2) . .
O4 Ni1 Dy4 43.0(2) . .
N1F Ni1 Dy4 130.8(3) . .
Dy12 Ni1 Dy4 74.7(4) . .
Dy42 Ni1 Dy4 6.7(5) . .
N1A Ni1 Dy1 136.8(3) . .
O2A Ni1 Dy1 107.4(2) . .
O1A Ni1 Dy1 75.1(2) . .
O1F Ni1 Dy1 40.7(2) . .
O4 Ni1 Dy1 41.89(18) . .
N1F Ni1 Dy1 117.7(3) . .
Dy12 Ni1 Dy1 6.3(4) . .
Dy42 Ni1 Dy1 74.7(5) . .
Dy4 Ni1 Dy1 68.97(5) . .
N1B Ni2 O2B 90.6(4) . .
N1B Ni2 O1G 167.9(4) . .
O2B Ni2 O1G 100.6(3) . .
N1B Ni2 O3B 81.4(4) . .
O2B Ni2 O3B 164.3(3) . .
O1G Ni2 O3B 88.8(3) . .
N1B Ni2 N1G 94.9(5) . .
O2B Ni2 N1G 98.2(4) . .
O1G Ni2 N1G 79.1(4) . .
O3B Ni2 N1G 95.9(4) . .
N1B Ni2 O5 103.1(4) . .
O2B Ni2 O5 83.5(3) . .
O1G Ni2 O5 82.9(3) . .
O3B Ni2 O5 85.2(3) . .
N1G Ni2 O5 162.0(4) . .
N1B Ni2 Dy41 96.2(5) . .
O2B Ni2 Dy41 41.1(4) . .
O1G Ni2 Dy41 95.3(4) . .
O3B Ni2 Dy41 126.1(4) . .
N1G Ni2 Dy41 137.7(4) . .
O5 Ni2 Dy41 42.5(4) . .
N1B Ni2 Dy11 136.9(4) . .
O2B Ni2 Dy11 112.2(4) . .
O1G Ni2 Dy11 41.9(3) . .
O3B Ni2 Dy11 66.9(4) . .
N1G Ni2 Dy11 116.0(4) . .
O5 Ni2 Dy11 48.1(4) . .
Dy41 Ni2 Dy11 81.0(5) . .
N1B Ni2 Dy4 103.5(3) . .
O2B Ni2 Dy4 42.6(2) . .
O1G Ni2 Dy4 88.0(2) . .
O3B Ni2 Dy4 126.3(2) . .
N1G Ni2 Dy4 135.6(3) . .
O5 Ni2 Dy4 41.2(2) . .
Dy41 Ni2 Dy4 7.3(4) . .
Dy11 Ni2 Dy4 75.7(3) . .
N1B Ni2 Dy1 137.7(3) . .
O2B Ni2 Dy1 105.6(3) . .
O1G Ni2 Dy1 43.2(2) . .
O3B Ni2 Dy1 72.7(3) . .
N1G Ni2 Dy1 120.1(3) . .
O5 Ni2 Dy1 43.1(2) . .
Dy41 Ni2 Dy1 74.3(3) . .
Dy11 Ni2 Dy1 6.9(3) . .
Dy4 Ni2 Dy1 68.85(5) . .
O2C Ni3 N1C 95.2(5) . .
O2C Ni3 O1M 92.6(4) . .
N1C Ni3 O1M 171.7(4) . .
O2C Ni3 O1C 177.7(5) . .
N1C Ni3 O1C 87.1(4) . .
O1M Ni3 O1C 85.2(4) . .
O2C Ni3 Dy2 131.3(3) . .
N1C Ni3 Dy2 129.4(4) . .
O1M Ni3 Dy2 42.2(2) . .
O1C Ni3 Dy2 46.7(3) . .
Dy3 O1 Dy1 107.2(3) . .
Dy3 O1 Dy2 99.4(2) . .
Dy1 O1 Dy2 128.4(4) . .
Dy3 O1 H1 106.7 . .
Dy1 O1 H1 106.7 . .
Dy2 O1 H1 106.7 . .
Dy2 O2 Dy1 128.9(4) 2_666 .
Dy2 O2 Dy3 99.0(3) 2_666 2_666
Dy12 O2 Dy3 96.9(6) . 2_666
Dy1 O2 Dy3 108.9(3) . 2_666
Ni1 O2A Dy41 104.3(4) . .
C2A C1A C9A 117.8(13) . .
C2A C1A C11A 121.2(11) . .
C9A C1A C11A 121.0(13) . .
O2A C2A C1A 122.8(11) . .
O2A C2A C3A 118.8(13) . .
C1A C2A C3A 118.4(12) . .
C1A C2A Dy42 132.4(10) . .
C3A C2A Dy42 104.1(11) . .
C4A C3A C2A 123.0(15) . .
C4A C3A H3A 118.5 . .
C2A C3A H3A 118.5 . .
C3A C4A C10A 121.2(14) . .
C3A C4A H4A 119.4 . .
C10A C4A H4A 119.4 . .
C6A C5A C10A 120.1(18) . .
C6A C5A H5A 119.9 . .
C10A C5A H5A 119.9 . .
C5A C6A C7A 121.4(16) . .
C5A C6A H6A 119.3 . .
C7A C6A H6A 119.3 . .
C8A C7A C6A 117.4(18) . .
C8A C7A H7A 121.3 . .
C6A C7A H7A 121.3 . .
C7A C8A C9A 122.8(17) . .
C7A C8A H8A 118.6 . .
C9A C8A H8A 118.6 . .
C10A C9A C8A 115.9(14) . .
C10A C9A C1A 121.5(15) . .
C8A C9A C1A 122.3(14) . .
C9A C10A C4A 117.9(13) . .
C9A C10A C5A 122.3(16) . .
C4A C10A C5A 119.8(15) . .
N1A C11A C1A 125.7(12) . .
N1A C11A H11A 117.2 . .
C1A C11A H11A 117.2 . .
C11A N1A C12A 120.9(10) . .
C11A N1A Ni1 122.8(9) . .
C12A N1A Ni1 116.2(6) . .
C13A C12A N1A 113.7(10) . .
C13A C12A C14A 112.9(11) . .
N1A C12A C14A 109.1(11) . .
C13A C12A C15A 108.3(12) . .
N1A C12A C15A 104.1(9) . .
C14A C12A C15A 108.3(10) . .
C12A C13A H13A 109.5 . .
C12A C13A H13B 109.5 . .
H13A C13A H13B 109.5 . .
C12A C13A H13C 109.5 . .
H13A C13A H13C 109.5 . .
H13B C13A H13C 109.5 . .
C12A C14A H14A 109.5 . .
C12A C14A H14B 109.5 . .
H14A C14A H14B 109.5 . .
C12A C14A H14C 109.5 . .
H14A C14A H14C 109.5 . .
H14B C14A H14C 109.5 . .
O1A C15A O3A 119.9(11) . .
O1A C15A C12A 121.6(12) . .
O3A C15A C12A 118.5(11) . .
C2B O2B Dy41 117.5(9) . .
C2B O2B Ni2 122.7(9) . .
Dy41 O2B Ni2 96.6(6) . .
C2B O2B Dy4 120.5(7) . .
Ni2 O2B Dy4 102.5(3) . .
C2B C1B C11B 125.2(11) . .
C2B C1B C9B 116.7(11) . .
C11B C1B C9B 117.7(12) . .
O2B C2B C1B 123.2(11) . .
O2B C2B C3B 115.3(14) . .
C1B C2B C3B 121.4(11) . .
C4B C3B C2B 119.1(14) . .
C4B C3B H3B 120.4 . .
C2B C3B H3B 120.4 . .
C3B C4B C10B 122.6(12) . .
C3B C4B H4B 118.7 . .
C10B C4B H4B 118.7 . .
C6B C5B C10B 120.7(13) . .
C6B C5B H5B 119.6 . .
C10B C5B H5B 119.6 . .
C5B C6B C7B 120.0(13) . .
C5B C6B H6B 120.0 . .
C7B C6B H6B 120.0 . .
C8B C7B C6B 120.5(15) . .
C8B C7B H7B 119.8 . .
C6B C7B H7B 119.8 . .
C7B C8B C9B 119.8(14) . .
C7B C8B H8B 120.1 . .
C9B C8B H8B 120.1 . .
C10B C9B C8B 119.1(12) . .
C10B C9B C1B 120.8(13) . .
C8B C9B C1B 120.1(12) . .
C4B C10B C9B 119.3(12) . .
C4B C10B C5B 120.7(12) . .
C9B C10B C5B 119.9(14) . .
N1B C11B C1B 123.8(13) . .
N1B C11B H11B 118.1 . .
C1B C11B H11B 118.1 . .
C11B N1B C12B 117.8(12) . .
C11B N1B Ni2 126.0(9) . .
C12B N1B Ni2 116.2(8) . .
N1B C12B C13B 112.4(12) . .
N1B C12B C15B 106.9(11) . .
C13B C12B C15B 109.6(12) . .
N1B C12B C14B 108.7(12) . .
C13B C12B C14B 112.0(14) . .
C15B C12B C14B 107.1(13) . .
C12B C13B H13D 109.5 . .
C12B C13B H13E 109.5 . .
H13D C13B H13E 109.5 . .
C12B C13B H13F 109.5 . .
H13D C13B H13F 109.5 . .
H13E C13B H13F 109.5 . .
C12B C14B H14D 109.5 . .
C12B C14B H14E 109.5 . .
H14D C14B H14E 109.5 . .
C12B C14B H14F 109.5 . .
H14D C14B H14F 109.5 . .
H14E C14B H14F 109.5 . .
O1B C15B O3B 120.1(13) . .
O1B C15B C12B 119.5(13) . .
O3B C15B C12B 120.3(11) . .
C2C C1C C11C 121.8(14) . .
C2C C1C C9C 119.9(13) . .
C11C C1C C9C 118.3(15) . .
O2C C2C C1C 124.8(13) . .
O2C C2C C3C 114.5(15) . .
C1C C2C C3C 120.7(14) . .
C4C C3C C2C 119.6(17) . .
C4C C3C H3C 120.2 . .
C2C C3C H3C 120.2 . .
C3C C4C C10C 121.6(15) . .
C3C C4C H4C 119.2 . .
C10C C4C H4C 119.2 . .
C6C C5C C10C 117.7(16) . .
C6C C5C H5C 121.1 . .
C10C C5C H5C 121.1 . .
C7C C6C C5C 121.5(18) . .
C7C C6C H6C 119.2 . .
C5C C6C H6C 119.2 . .
C6C C7C C8C 122(2) . .
C6C C7C H7C 118.9 . .
C8C C7C H7C 118.9 . .
C7C C8C C9C 119.7(16) . .
C7C C8C H8C 120.1 . .
C9C C8C H8C 120.1 . .
C10C C9C C8C 115.5(15) . .
C10C C9C C1C 119.5(16) . .
C8C C9C C1C 124.8(14) . .
C5C C10C C9C 123.0(18) . .
C5C C10C C4C 118.4(15) . .
C9C C10C C4C 118.5(15) . .
N1C C11C C1C 123.5(15) . .
N1C C11C H11C 118.3 . .
C1C C11C H11C 118.3 . .
C11C N1C C12C 121.9(13) . .
C11C N1C Ni3 126.8(10) . .
C12C N1C Ni3 111.3(9) . .
N1C C12C C15C 106.7(10) . .
N1C C12C C13C 109.0(12) . .
C15C C12C C13C 106.8(12) . .
N1C C12C C14C 112.2(12) . .
C15C C12C C14C 109.9(12) . .
C13C C12C C14C 111.9(12) . .
C12C C13C H13G 109.5 . .
C12C C13C H13H 109.5 . .
H13G C13C H13H 109.5 . .
C12C C13C H13I 109.5 . .
H13G C13C H13I 109.5 . .
H13H C13C H13I 109.5 . .
C12C C14C H14G 109.5 . .
C12C C14C H14H 109.5 . .
H14G C14C H14H 109.5 . .
C12C C14C H14I 109.5 . .
H14G C14C H14I 109.5 . .
H14H C14C H14I 109.5 . .
O3C C15C O1C 123.5(12) . .
O3C C15C C12C 123.1(12) . .
O1C C15C C12C 113.4(12) . .
C2D C1D C11D 116.8(15) . .
C2D C1D C9D 123.9(18) . .
C11D C1D C9D 119.3(17) . .
O2D C2D C1D 123.4(16) . .
O2D C2D C3D 121.4(15) . .
C1D C2D C3D 115.0(16) . .
C4D C3D C2D 123(2) . .
C4D C3D H3D 118.3 . .
C2D C3D H3D 118.3 . .
C3D C4D C10D 122(2) . .
C3D C4D H4D 119.1 . .
C10D C4D H4D 119.1 . .
C10D C5D C6D 120(3) . .
C10D C5D H5D 120.2 . .
C6D C5D H5D 120.2 . .
C5D C6D C7D 122(2) . .
C5D C6D H6D 119.0 . .
C7D C6D H6D 119.0 . .
C8D C7D C6D 120(3) . .
C8D C7D H7D 120.1 . .
C6D C7D H7D 120.1 . .
C7D C8D C9D 119(3) . .
C7D C8D H8D 120.7 . .
C9D C8D H8D 120.7 . .
C8D C9D C10D 123.0(19) . .
C8D C9D C1D 122(2) . .
C10D C9D C1D 114.9(18) . .
C4D C10D C5D 123(3) . .
C4D C10D C9D 120.1(18) . .
C5D C10D C9D 117(2) . .
O1D C11D C1D 129.7(17) . .
O1D C11D H11D 115.1 . .
C1D C11D H11D 115.1 . .
C11E C1E C2E 126.5(18) . .
C11E C1E C9E 117.9(17) . .
C2E C1E C9E 115.4(15) . .
O2E C2E C1E 124.3(15) . .
O2E C2E C3E 113.8(17) . .
C1E C2E C3E 121.9(18) . .
C4E C3E C2E 123.1(18) . .
C4E C3E H3E 118.4 . .
C2E C3E H3E 118.4 . .
C3E C4E C10E 115.4(15) . .
C3E C4E H4E 122.3 . .
C10E C4E H4E 122.3 . .
C6E C5E C10E 117.2(19) . .
C6E C5E H5E 121.4 . .
C10E C5E H5E 121.4 . .
C5E C6E C7E 125(2) . .
C5E C6E H6E 117.4 . .
C7E C6E H6E 117.4 . .
C6E C7E C8E 116(2) . .
C6E C7E H7E 121.8 . .
C8E C7E H7E 121.8 . .
C9E C8E C7E 116.3(17) . .
C9E C8E H8E 121.9 . .
C7E C8E H8E 121.9 . .
C10E C9E C8E 125.5(17) . .
C10E C9E C1E 116.9(16) . .
C8E C9E C1E 117.6(15) . .
C9E C10E C4E 126.4(18) . .
C9E C10E C5E 118.6(18) . .
C4E C10E C5E 114.8(16) . .
C1E C11E O1E 120.8(19) . .
C1E C11E H11E 119.6 . .
O1E C11E H11E 119.6 . .
O2F C1F O1F 122.5(11) . .
O2F C1F C2F 119.9(10) . .
O1F C1F C2F 117.1(9) . .
C1F C2F N1F 106.7(9) . .
C1F C2F C4F 107.4(12) . .
N1F C2F C4F 108.8(10) . .
C1F C2F C3F 110.8(10) . .
N1F C2F C3F 111.3(12) . .
C4F C2F C3F 111.6(10) . .
C2F N1F Ni1 110.5(7) . .
C2F N1F H1F1 109.6 . .
Ni1 N1F H1F1 109.6 . .
C2F N1F H1F2 109.6 . .
Ni1 N1F H1F2 109.6 . .
H1F1 N1F H1F2 108.1 . .
C2F C3F H3F1 109.5 . .
C2F C3F H3F2 109.5 . .
H3F1 C3F H3F2 109.5 . .
C2F C3F H3F3 109.5 . .
H3F1 C3F H3F3 109.5 . .
H3F2 C3F H3F3 109.5 . .
C2F C4F H4F1 109.5 . .
C2F C4F H4F2 109.5 . .
H4F1 C4F H4F2 109.5 . .
C2F C4F H4F3 109.5 . .
H4F1 C4F H4F3 109.5 . .
H4F2 C4F H4F3 109.5 . .
C1G O1G Ni2 117.5(8) . .
O2G C1G O1G 125.2(12) . .
O2G C1G C2G 116.6(10) . .
O1G C1G C2G 118.2(12) . .
N1G C2G C3G 109.0(11) . .
N1G C2G C4G 111.4(12) . .
C3G C2G C4G 111.6(12) . .
N1G C2G C1G 105.2(10) . .
C3G C2G C1G 106.1(11) . .
C4G C2G C1G 113.1(12) . .
C2G N1G Ni2 112.4(8) . .
C2G N1G H1G1 109.1 . .
Ni2 N1G H1G1 109.1 . .
C2G N1G H1G2 109.1 . .
Ni2 N1G H1G2 109.1 . .
H1G1 N1G H1G2 107.9 . .
C2G C3G H3G1 109.5 . .
C2G C3G H3G2 109.5 . .
H3G1 C3G H3G2 109.5 . .
C2G C3G H3G3 109.5 . .
H3G1 C3G H3G3 109.5 . .
H3G2 C3G H3G3 109.5 . .
C2G C4G H4G1 109.5 . .
C2G C4G H4G2 109.5 . .
H4G1 C4G H4G2 109.5 . .
C2G C4G H4G3 109.5 . .
H4G1 C4G H4G3 109.5 . .
H4G2 C4G H4G3 109.5 . .
O33 N13 O23 120.7(15) . .
O33 N13 O13 121.2(13) . .
O23 N13 O13 117.9(13) . .
O1M C1M H1M1 109.5 . .
O1M C1M H1M2 109.5 . .
H1M1 C1M H1M2 109.5 . .
O1M C1M H1M3 109.5 . .
H1M1 C1M H1M3 109.5 . .
H1M2 C1M H1M3 109.5 . .
O1X N1X O3X 122(2) . .
O1X N1X O2X 115(2) . .
O3X N1X O2X 122(2) . .
O3Y N1Y O1Y 118(3) . .
O3Y N1Y O2Y 123(3) . .
O1Y N1Y O2Y 114(3) . .
O3Y N1Y Dy31 153(3) . .
O1Y N1Y Dy31 67.5(17) . .
O2Y N1Y Dy31 47.0(17) . .
N2N C3N C4N 174(5) . .
C3N C4N H4N1 109.5 . .
C3N C4N H4N2 109.5 . .
H4N1 C4N H4N2 109.5 . .
C3N C4N H4N3 109.5 . .
H4N1 C4N H4N3 109.5 . .
H4N2 C4N H4N3 109.5 . .
N1N C1N C2N 170(8) . .
C1N C2N H2N1 109.5 . .
C1N C2N H2N2 109.5 . .
H2N1 C2N H2N2 109.5 . .
C1N C2N H2N3 109.5 . .
H2N1 C2N H2N3 109.5 . .
H2N2 C2N H2N3 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy11 Dy1 0.543(18) .
Dy11 Dy12 1.15(3) .
Dy11 O3 2.028(17) 2_666
Dy11 O1G 2.077(17) .
Dy11 O1 2.242(15) .
Dy11 O5 2.297(16) .
Dy11 O2 2.567(17) .
Dy11 O4 2.695(17) .
Dy11 O3 2.766(19) .
Dy11 O1F 2.816(19) .
Dy11 Ni2 3.088(17) .
Dy11 Dy32 3.21(3) .
Dy12 Dy1 0.61(2) .
Dy12 O1F 1.84(2) .
Dy12 O3 2.19(2) .
Dy12 O4 2.23(2) .
Dy12 O2 2.34(2) .
Dy12 O1 2.54(2) .
Dy12 O5 2.65(2) .
Dy12 O3 2.78(2) 2_666
Dy12 C1F 2.89(2) .
Dy12 Ni1 3.00(2) .
Dy12 Dy32 3.32(3) 2_666
Dy12 H3 2.5354 .
Dy21 Dy2 0.501(18) .
Dy21 Dy22 1.16(3) .
Dy21 O2D 1.90(2) .
Dy21 O2 2.029(19) 2_666
Dy21 O1 2.214(18) .
Dy21 O1D 2.267(19) .
Dy21 O1C 2.566(19) .
Dy21 O1M 2.572(19) .
Dy21 O2G 2.58(2) 2_666
Dy21 Dy32 2.64(3) .
Dy21 O2F 2.76(2) .
Dy21 C2D 2.84(2) .
Dy22 Dy2 0.67(2) .
Dy22 O2F 1.88(2) .
Dy22 O2G 1.89(2) 2_666
Dy22 O1M 2.10(2) .
Dy22 O1C 2.59(2) .
Dy22 O2 2.71(2) 2_666
Dy22 O1 2.75(2) .
Dy22 O1D 2.79(2) .
Dy22 Ni3 3.341(19) .
Dy22 Dy32 3.64(3) .
Dy31 Dy3 0.59(2) .
Dy31 Dy32 1.13(4) .
Dy31 O1X 1.89(3) .
Dy31 O2Y 1.91(3) .
Dy31 O3A 2.211(17) 2_666
Dy31 O1A 2.271(17) 2_666
Dy31 O1B 2.294(19) .
Dy31 O1Y 2.36(3) .
Dy31 O3B 2.526(17) .
Dy31 N1Y 2.54(4) .
Dy31 C15A 2.58(2) 2_666
Dy31 O3 2.689(19) 2_666
Dy32 Dy3 0.55(2) .
Dy32 O1 1.93(2) .
Dy32 O2 1.94(3) 2_666
Dy32 O2D 2.22(2) .
Dy32 O3 2.30(2) 2_666
Dy32 O3A 2.66(2) 2_666
Dy32 O1A 2.67(2) 2_666
Dy32 O1B 2.72(3) .
Dy32 O3B 2.78(2) .
Dy32 Dy2 3.06(2) .
Dy32 H1 2.4088 .
Dy41 Dy4 0.62(2) .
Dy41 Dy42 1.09(4) .
Dy41 O2B 1.980(19) .
Dy41 O5 2.023(17) .
Dy41 O23 2.09(2) .
Dy41 O13 2.422(17) .
Dy41 O2E 2.537(19) .
Dy41 N13 2.62(2) .
Dy41 O4 2.69(2) .
Dy41 O1E 2.74(2) .
Dy41 C2B 2.86(2) .
Dy41 O2A 2.88(2) .
Dy41 H5 2.4457 .
Dy42 Dy4 0.53(3) .
Dy42 O2A 1.81(3) .
Dy42 O2E 2.23(3) .
Dy42 O13 2.26(3) .
Dy42 O4 2.32(3) .
Dy42 O1E 2.47(3) .
Dy42 O5 2.58(3) .
Dy42 O23 2.79(3) .
Dy42 C2A 2.89(3) .
Dy42 N13 2.93(3) .
Dy42 Ni1 3.04(3) .
Dy1 O1F 2.351(8) .
Dy1 O3 2.358(7) 2_666
Dy1 O2 2.360(8) .
Dy1 O1 2.364(7) .
Dy1 O4 2.385(7) .
Dy1 O5 2.407(8) .
Dy1 O1G 2.417(8) .
Dy1 O3 2.459(8) .
Dy1 Ni2 3.464(2) .
Dy1 Ni1 3.492(2) .
Dy2 O1M 2.278(7) .
Dy2 O2G 2.305(9) 2_666
Dy2 O2D 2.328(10) .
Dy2 O2 2.335(8) 2_666
Dy2 O2F 2.336(8) .
Dy2 O1 2.368(7) .
Dy2 O1C 2.422(8) .
Dy2 O1D 2.475(9) .
Dy2 Ni3 3.287(2) .
Dy3 O1 2.341(7) .
Dy3 O2 2.387(9) 2_666
Dy3 O3 2.394(8) 2_666
Dy3 O1X 2.40(2) .
Dy3 O1B 2.427(11) .
Dy3 O3A 2.466(8) 2_666
Dy3 O1A 2.484(8) 2_666
Dy3 O2D 2.488(9) .
Dy3 O2Y 2.49(3) .
Dy3 O3B 2.515(8) .
Dy4 O2E 2.285(9) .
Dy4 O5 2.333(7) .
Dy4 O2A 2.333(8) .
Dy4 O4 2.362(8) .
Dy4 O1E 2.363(10) .
Dy4 O2B 2.396(9) .
Dy4 O13 2.450(9) .
Dy4 O23 2.540(11) .
Dy4 N13 2.900(14) .
Dy4 Ni1 3.415(2) .
Ni1 N1A 2.000(9) .
Ni1 O2A 2.012(8) .
Ni1 O1A 2.039(8) .
Ni1 O1F 2.071(7) .
Ni1 O4 2.097(8) .
Ni1 N1F 2.100(10) .
Ni2 N1B 1.969(11) .
Ni2 O2B 2.024(8) .
Ni2 O1G 2.063(8) .
Ni2 O3B 2.073(8) .
Ni2 N1G 2.086(10) .
Ni2 O5 2.096(8) .
Ni3 O2C 1.806(9) .
Ni3 N1C 1.841(12) .
Ni3 O1M 1.876(8) .
Ni3 O1C 1.876(8) .
O1 H1 0.8600 .
O2 Dy32 1.94(3) 2_666
O2 Dy21 2.028(19) 2_666
O2 Dy2 2.335(8) 2_666
O2 Dy3 2.387(9) 2_666
O2 Dy22 2.71(2) 2_666
O2 Dy31 2.83(2) 2_666
O2 H2 0.8600 .
O3 Dy11 2.028(17) 2_666
O3 Dy32 2.30(2) 2_666
O3 Dy1 2.358(7) 2_666
O3 Dy3 2.394(8) 2_666
O3 Dy31 2.689(19) 2_666
O3 Dy12 2.78(2) 2_666
O3 H3 0.8600 .
O4 H4 0.8600 .
O5 H5 0.8600 .
O2A C2A 1.323(14) .
C1A C2A 1.410(19) .
C1A C9A 1.445(18) .
C1A C11A 1.474(18) .
C2A C3A 1.411(17) .
C3A C4A 1.336(17) .
C3A H3A 0.9500 .
C4A C10A 1.41(2) .
C4A H4A 0.9500 .
C5A C6A 1.33(3) .
C5A C10A 1.419(19) .
C5A H5A 0.9500 .
C6A C7A 1.44(3) .
C6A H6A 0.9500 .
C7A C8A 1.39(2) .
C7A H7A 0.9500 .
C8A C9A 1.44(2) .
C8A H8A 0.9500 .
C9A C10A 1.40(2) .
C11A N1A 1.269(14) .
C11A H11A 0.9500 .
N1A C12A 1.492(15) .
C12A C13A 1.48(2) .
C12A C14A 1.524(17) .
C12A C15A 1.559(16) .
C13A H13A 0.9800 .
C13A H13B 0.9800 .
C13A H13C 0.9800 .
C14A H14A 0.9800 .
C14A H14B 0.9800 .
C14A H14C 0.9800 .
C15A O1A 1.243(15) .
C15A O3A 1.263(15) .
C15A Dy31 2.58(2) 2_666
C15A Dy3 2.849(12) 2_666
O1A Dy31 2.271(17) 2_666
O1A Dy3 2.484(8) 2_666
O1A Dy32 2.67(2) 2_666
O3A Dy31 2.211(17) 2_666
O3A Dy3 2.466(8) 2_666
O3A Dy32 2.66(2) 2_666
O2B C2B 1.348(15) .
C1B C2B 1.399(19) .
C1B C11B 1.433(17) .
C1B C9B 1.468(17) .
C2B C3B 1.431(17) .
C3B C4B 1.367(18) .
C3B H3B 0.9500 .
C4B C10B 1.38(2) .
C4B H4B 0.9500 .
C5B C6B 1.36(2) .
C5B C10B 1.416(18) .
C5B H5B 0.9500 .
C6B C7B 1.401(19) .
C6B H6B 0.9500 .
C7B C8B 1.40(2) .
C7B H7B 0.9500 .
C8B C9B 1.41(2) .
C8B H8B 0.9500 .
C9B C10B 1.397(17) .
C11B N1B 1.320(15) .
C11B H11B 0.9500 .
N1B C12B 1.484(16) .
C12B C13B 1.52(2) .
C12B C15B 1.527(19) .
C12B C14B 1.53(2) .
C13B H13D 0.9800 .
C13B H13E 0.9800 .
C13B H13F 0.9800 .
C14B H14D 0.9800 .
C14B H14E 0.9800 .
C14B H14F 0.9800 .
C15B O1B 1.256(14) .
C15B O3B 1.263(16) .
O2C C2C 1.323(17) .
C1C C2C 1.38(2) .
C1C C11C 1.436(18) .
C1C C9C 1.46(2) .
C2C C3C 1.426(19) .
C3C C4C 1.39(2) .
C3C H3C 0.9500 .
C4C C10C 1.43(2) .
C4C H4C 0.9500 .
C5C C6C 1.39(3) .
C5C C10C 1.39(2) .
C5C H5C 0.9500 .
C6C C7C 1.35(2) .
C6C H6C 0.9500 .
C7C C8C 1.37(2) .
C7C H7C 0.9500 .
C8C C9C 1.45(2) .
C8C H8C 0.9500 .
C9C C10C 1.418(19) .
C11C N1C 1.257(17) .
C11C H11C 0.9500 .
N1C C12C 1.504(16) .
C12C C15C 1.532(18) .
C12C C13C 1.55(2) .
C12C C14C 1.57(2) .
C13C H13G 0.9800 .
C13C H13H 0.9800 .
C13C H13I 0.9800 .
C14C H14G 0.9800 .
C14C H14H 0.9800 .
C14C H14I 0.9800 .
C15C O3C 1.227(14) .
C15C O1C 1.309(15) .
O2D C2D 1.250(17) .
C1D C2D 1.40(2) .
C1D C11D 1.41(3) .
C1D C9D 1.49(2) .
C2D C3D 1.47(3) .
C3D C4D 1.34(3) .
C3D H3D 0.9500 .
C4D C10D 1.41(3) .
C4D H4D 0.9500 .
C5D C10D 1.41(3) .
C5D C6D 1.43(4) .
C5D H5D 0.9500 .
C6D C7D 1.46(4) .
C6D H6D 0.9500 .
C7D C8D 1.37(3) .
C7D H7D 0.9500 .
C8D C9D 1.44(3) .
C8D H8D 0.9500 .
C9D C10D 1.47(3) .
C11D O1D 1.25(2) .
C11D H11D 0.9500 .
O2E C2E 1.38(2) .
C1E C11E 1.31(2) .
C1E C2E 1.40(2) .
C1E C9E 1.55(2) .
C2E C3E 1.42(2) .
C3E C4E 1.38(2) .
C3E H3E 0.9500 .
C4E C10E 1.40(2) .
C4E H4E 0.9500 .
C5E C6E 1.33(3) .
C5E C10E 1.47(2) .
C5E H5E 0.9500 .
C6E C7E 1.45(3) .
C6E H6E 0.9500 .
C7E C8E 1.47(2) .
C7E H7E 0.9500 .
C8E C9E 1.39(2) .
C8E H8E 0.9500 .
C9E C10E 1.38(2) .
C11E O1E 1.321(19) .
C11E H11E 0.9500 .
O1F C1F 1.286(13) .
O2F C1F 1.243(12) .
C1F C2F 1.506(16) .
C2F N1F 1.507(15) .
C2F C4F 1.533(19) .
C2F C3F 1.534(17) .
N1F H1F1 0.9100 .
N1F H1F2 0.9100 .
C3F H3F1 0.9800 .
C3F H3F2 0.9800 .
C3F H3F3 0.9800 .
C4F H4F1 0.9800 .
C4F H4F2 0.9800 .
C4F H4F3 0.9800 .
O1G C1G 1.266(13) .
O2G C1G 1.251(14) .
O2G Dy22 1.89(2) 2_666
O2G Dy2 2.305(9) 2_666
O2G Dy21 2.58(2) 2_666
C1G C2G 1.556(18) .
C2G N1G 1.512(18) .
C2G C3G 1.530(17) .
C2G C4G 1.531(18) .
N1G H1G1 0.9100 .
N1G H1G2 0.9100 .
C3G H3G1 0.9800 .
C3G H3G2 0.9800 .
C3G H3G3 0.9800 .
C4G H4G1 0.9800 .
C4G H4G2 0.9800 .
C4G H4G3 0.9800 .
O13 N13 1.296(16) .
O23 N13 1.263(14) .
N13 O33 1.250(15) .
O1M C1M 1.410(13) .
C1M H1M1 0.9800 .
C1M H1M2 0.9800 .
C1M H1M3 0.9800 .
O1X N1X 1.271(17) .
O2X N1X 1.304(17) .
O3X N1X 1.292(16) .
O1Y N1Y 1.279(18) .
O2Y N1Y 1.289(19) .
O3Y N1Y 1.268(18) .
N2N C3N 1.12(5) .
C3N C4N 1.46(6) .
C4N H4N1 0.9800 .
C4N H4N2 0.9800 .
C4N H4N3 0.9800 .
N1N C1N 1.01(6) .
C1N C2N 1.24(7) .
C2N H2N1 0.9800 .
C2N H2N2 0.9800 .
C2N H2N3 0.9800 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1 H1 O3C 0.86 2.04 2.873(12) 162.3 .
O2 H2 O1D 0.86 2.36 2.820(12) 114.0 2_666
O3 H3 O2F 0.86 2.45 3.138(11) 137.9 .
O3 H3 O2X 0.86 2.19 2.88(2) 138.2 2_666
O3 H3 O1Y 0.86 2.24 2.71(2) 113.7 2_666
O5 H5 O3C 0.86 2.10 2.948(11) 170.5 .
C3A H3A O13 0.95 2.43 3.191(18) 137.4 .
C13B H13E O3C 0.98 2.50 3.41(2) 153.0 .
C3D H3D O1B 0.95 2.25 3.03(2) 139.1 .
N1F H1F1 O3Y 0.91 2.44 3.33(4) 165.8 2_666
C3F H3F1 O2X 0.98 2.44 3.23(3) 137.4 2_666
C4F H4F3 O2A 0.98 2.60 3.450(15) 145.7 .
N1G H1G1 O3X 0.91 2.26 3.16(2) 167.4 .
C4G H4G1 O2X 0.98 2.34 3.11(3) 135.6 .
