#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/72/4117276.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_4117276
loop_
_publ_author_name
'Yan-Zhen Zheng'
'Marco Evangelisti'
'Floriana Tuna'
'Richard E. P. Winpenny'
_publ_section_title
;
 Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic
 Refrigerants
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1057
_journal_page_last               1065
_journal_paper_doi               10.1021/ja208367k
_journal_volume                  134
_journal_year                    2012
_chemical_formula_sum            'C111 H220.5 Co6 Dy8 N3.5 O60 P6'
_chemical_formula_weight         4403.81
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.303(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.519(2)
_cell_length_b                   23.373(3)
_cell_length_c                   22.376(3)
_cell_measurement_temperature    100(2)
_cell_volume                     8569.3(19)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0705
_diffrn_reflns_av_sigmaI/netI    0.0657
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            60838
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.24
_exptl_absorpt_coefficient_mu    4.135
_exptl_absorpt_correction_T_max  0.5232
_exptl_absorpt_correction_T_min  0.2095
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.707
_exptl_crystal_description       plate
_exptl_crystal_F_000             4342
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.53
_exptl_crystal_size_min          0.18
_refine_diff_density_max         4.801
_refine_diff_density_min         -3.840
_refine_diff_density_rms         0.261
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.126
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1260
_refine_ls_number_reflns         15474
_refine_ls_number_restraints     1982
_refine_ls_restrained_S_all      1.291
_refine_ls_R_factor_all          0.1499
_refine_ls_R_factor_gt           0.1027
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1338P)²+195.6138P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2650
_refine_ls_wR_factor_ref         0.3141
_reflns_number_gt                9807
_reflns_number_total             15474
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja208367k_si_009.cif
_cod_data_source_block           codym
_cod_original_cell_volume        8569(2)
_cod_original_formula_sum        'C111 H220.50 Co6 Dy8 N3.50 O60 P6'
_cod_database_code               4117276
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.18639(6) 0.33499(4) 0.39086(4) 0.0468(3) Uani 1 1 d U . .
Dy2 Dy 0.14383(7) 0.33204(5) 0.13373(5) 0.0559(3) Uani 1 1 d U . .
Dy3 Dy 0.47892(7) 0.33364(7) 0.23114(6) 0.0785(5) Uani 1 1 d U . .
Co1 Co 0.3113(2) 0.2500 0.18181(17) 0.0536(9) Uani 1 2 d SU . .
Co2 Co 0.2110(3) 0.54841(17) 0.19754(19) 0.0902(11) Uani 1 1 d U . .
Co3 Co 0.1661(2) 0.2500 0.26259(16) 0.0403(8) Uani 1 2 d SU . .
Co4 Co 0.2083(5) 0.4869(4) 0.3243(4) 0.0536(16) Uani 0.507(5) 1 d PU . 1
Dy4 Dy 0.3778(2) 0.48571(15) 0.25354(17) 0.0612(9) Uani 0.507(5) 1 d PU . 1
O1 O 0.4165(18) 0.3927(14) 0.2996(13) 0.061(2) Uani 0.507(5) 1 d PU . 1
O2 O 0.3347(17) 0.4572(13) 0.3440(13) 0.056(2) Uani 0.507(5) 1 d PU . 1
O3 O 0.3128(16) 0.3506(13) 0.3572(13) 0.051(3) Uani 0.507(5) 1 d PU . 1
O17 O 0.107(2) 0.5388(17) 0.306(2) 0.092(4) Uani 0.507(5) 1 d PU . 1
O18 O 0.116(3) 0.5921(18) 0.225(2) 0.101(5) Uani 0.507(5) 1 d PU . 1
C13 C 0.083(3) 0.582(2) 0.269(3) 0.099(4) Uani 0.507(5) 1 d PDU . 1
C14 C 0.022(2) 0.6161(14) 0.3000(17) 0.105(5) Uani 0.507(5) 1 d PDU . 1
C15 C 0.036(3) 0.6782(14) 0.286(3) 0.108(8) Uani 0.507(5) 1 d PDU . 1
H15A H -0.0066 0.7018 0.2998 0.162 Uiso 0.507(5) 1 calc PR . 1
H15B H 0.0358 0.6829 0.2424 0.162 Uiso 0.507(5) 1 calc PR . 1
H15C H 0.0896 0.6902 0.3067 0.162 Uiso 0.507(5) 1 calc PR . 1
C16 C 0.040(4) 0.604(3) 0.3665(17) 0.113(8) Uani 0.507(5) 1 d PDU . 1
H16A H -0.0003 0.6223 0.3881 0.169 Uiso 0.507(5) 1 calc PR . 1
H16B H 0.0949 0.6180 0.3815 0.169 Uiso 0.507(5) 1 calc PR . 1
H16C H 0.0386 0.5621 0.3730 0.169 Uiso 0.507(5) 1 calc PR . 1
C17 C -0.062(2) 0.596(2) 0.274(3) 0.118(10) Uani 0.507(5) 1 d PDU . 1
H17A H -0.1032 0.6193 0.2901 0.177 Uiso 0.507(5) 1 calc PR . 1
H17B H -0.0685 0.5558 0.2846 0.177 Uiso 0.507(5) 1 calc PR . 1
H17C H -0.0678 0.5999 0.2299 0.177 Uiso 0.507(5) 1 calc PR . 1
O27 O 0.414(2) 0.5723(15) 0.3099(18) 0.088(3) Uani 0.507(5) 1 d PU . 1
O28 O 0.284(2) 0.5624(14) 0.2967(18) 0.080(3) Uani 0.507(5) 1 d PU . 1
C50 C 0.348(4) 0.585(4) 0.322(3) 0.085(3) Uani 0.507(5) 1 d PDU . 1
C51 C 0.345(2) 0.635(2) 0.367(2) 0.090(4) Uani 0.507(5) 1 d PDU . 1
C52 C 0.275(3) 0.673(2) 0.346(3) 0.112(10) Uani 0.507(5) 1 d PDU . 1
H52A H 0.2736 0.7045 0.3746 0.169 Uiso 0.507(5) 1 calc PR . 1
H52B H 0.2245 0.6507 0.3443 0.169 Uiso 0.507(5) 1 calc PR . 1
H52C H 0.2815 0.6876 0.3063 0.169 Uiso 0.507(5) 1 calc PR . 1
C53 C 0.421(3) 0.668(2) 0.371(3) 0.093(7) Uani 0.507(5) 1 d PDU . 1
H53A H 0.4185 0.7004 0.3991 0.140 Uiso 0.507(5) 1 calc PR . 1
H53B H 0.4279 0.6834 0.3310 0.140 Uiso 0.507(5) 1 calc PR . 1
H53C H 0.4673 0.6437 0.3853 0.140 Uiso 0.507(5) 1 calc PR . 1
C54 C 0.335(3) 0.613(2) 0.427(2) 0.095(7) Uani 0.507(5) 1 d PDU . 1
H54A H 0.3325 0.6445 0.4555 0.142 Uiso 0.507(5) 1 calc PR . 1
H54B H 0.3816 0.5881 0.4415 0.142 Uiso 0.507(5) 1 calc PR . 1
H54C H 0.2845 0.5903 0.4250 0.142 Uiso 0.507(5) 1 calc PR . 1
O19 O 0.268(3) 0.618(2) 0.172(2) 0.107(5) Uani 0.507(5) 1 d PU . 1
O20 O 0.350(3) 0.545(2) 0.175(2) 0.106(4) Uani 0.507(5) 1 d PU . 1
C18 C 0.329(4) 0.601(2) 0.167(2) 0.108(4) Uani 0.507(5) 1 d PDU . 1
C19 C 0.390(3) 0.6374(17) 0.1396(17) 0.113(5) Uani 0.507(5) 1 d PDU . 1
C20 C 0.463(3) 0.603(3) 0.124(3) 0.117(8) Uani 0.507(5) 1 d PDU . 1
H20A H 0.5012 0.6286 0.1080 0.176 Uiso 0.507(5) 1 calc PR . 1
H20B H 0.4438 0.5738 0.0945 0.176 Uiso 0.507(5) 1 calc PR . 1
H20C H 0.4894 0.5846 0.1610 0.176 Uiso 0.507(5) 1 calc PR . 1
C21 C 0.353(4) 0.666(2) 0.082(2) 0.117(8) Uani 0.507(5) 1 d PDU . 1
H21A H 0.3936 0.6900 0.0660 0.176 Uiso 0.507(5) 1 calc PR . 1
H21B H 0.3061 0.6893 0.0896 0.176 Uiso 0.507(5) 1 calc PR . 1
H21C H 0.3341 0.6363 0.0518 0.176 Uiso 0.507(5) 1 calc PR . 1
C22 C 0.424(4) 0.685(2) 0.182(2) 0.122(9) Uani 0.507(5) 1 d PDU . 1
H22A H 0.4625 0.7079 0.1619 0.184 Uiso 0.507(5) 1 calc PR . 1
H22B H 0.4519 0.6683 0.2187 0.184 Uiso 0.507(5) 1 calc PR . 1
H22C H 0.3791 0.7093 0.1912 0.184 Uiso 0.507(5) 1 calc PR . 1
Dy4' Dy 0.2461(2) 0.47932(13) 0.32961(14) 0.0525(8) Uani 0.493(5) 1 d PU . 2
Co4' Co 0.3845(8) 0.4800(6) 0.2297(5) 0.068(2) Uani 0.493(5) 1 d PU . 2
O1' O 0.4034(18) 0.3409(14) 0.3102(14) 0.061(3) Uani 0.493(5) 1 d PU . 2
O2' O 0.3810(18) 0.4496(13) 0.3233(13) 0.057(2) Uani 0.493(5) 1 d PU . 2
O3' O 0.2956(17) 0.3842(14) 0.3691(13) 0.053(3) Uani 0.493(5) 1 d PU . 2
O17' O 0.146(3) 0.5411(18) 0.292(2) 0.090(4) Uani 0.493(5) 1 d PU . 2
O18' O 0.162(3) 0.6132(19) 0.235(2) 0.099(5) Uani 0.493(5) 1 d PU . 2
C13' C 0.129(3) 0.588(2) 0.276(3) 0.097(4) Uani 0.493(5) 1 d PDU . 2
C14' C 0.075(2) 0.6292(17) 0.3053(18) 0.103(5) Uani 0.493(5) 1 d PDU . 2
C15' C 0.130(4) 0.673(2) 0.350(3) 0.116(10) Uani 0.493(5) 1 d PDU . 2
H15D H 0.1608 0.6976 0.3256 0.174 Uiso 0.493(5) 1 calc PR . 2
H15E H 0.1672 0.6508 0.3782 0.174 Uiso 0.493(5) 1 calc PR . 2
H15F H 0.0940 0.6961 0.3715 0.174 Uiso 0.493(5) 1 calc PR . 2
C16' C 0.020(4) 0.666(2) 0.254(3) 0.108(8) Uani 0.493(5) 1 d PDU . 2
H16D H 0.0552 0.6891 0.2319 0.161 Uiso 0.493(5) 1 calc PR . 2
H16E H -0.0177 0.6906 0.2726 0.161 Uiso 0.493(5) 1 calc PR . 2
H16F H -0.0121 0.6395 0.2257 0.161 Uiso 0.493(5) 1 calc PR . 2
C17' C 0.015(3) 0.594(3) 0.344(3) 0.110(8) Uani 0.493(5) 1 d PDU . 2
H17D H 0.0475 0.5706 0.3742 0.166 Uiso 0.493(5) 1 calc PR . 2
H17E H -0.0211 0.5693 0.3169 0.166 Uiso 0.493(5) 1 calc PR . 2
H17F H -0.0184 0.6210 0.3640 0.166 Uiso 0.493(5) 1 calc PR . 2
O27' O 0.331(3) 0.5572(15) 0.2777(19) 0.082(3) Uani 0.493(5) 1 d PU . 2
O29' O 0.312(2) 0.5620(15) 0.3743(18) 0.084(3) Uani 0.493(5) 1 d PU . 2
C50' C 0.344(4) 0.581(4) 0.330(3) 0.086(3) Uani 0.493(5) 1 d PDU . 2
C51' C 0.404(3) 0.6296(19) 0.3378(16) 0.089(4) Uani 0.493(5) 1 d PDU . 2
C52' C 0.386(4) 0.663(2) 0.392(2) 0.095(7) Uani 0.493(5) 1 d PDU . 2
H52D H 0.3900 0.6381 0.4273 0.142 Uiso 0.493(5) 1 calc PR . 2
H52E H 0.3314 0.6797 0.3846 0.142 Uiso 0.493(5) 1 calc PR . 2
H52F H 0.4265 0.6943 0.3998 0.142 Uiso 0.493(5) 1 calc PR . 2
C53' C 0.489(3) 0.604(2) 0.347(2) 0.098(7) Uani 0.493(5) 1 d PDU . 2
H53D H 0.4973 0.5807 0.3126 0.147 Uiso 0.493(5) 1 calc PR . 2
H53E H 0.4946 0.5806 0.3838 0.147 Uiso 0.493(5) 1 calc PR . 2
H53F H 0.5290 0.6352 0.3521 0.147 Uiso 0.493(5) 1 calc PR . 2
C54' C 0.392(4) 0.666(2) 0.282(3) 0.114(10) Uani 0.493(5) 1 d PDU . 2
H54D H 0.4015 0.6424 0.2468 0.170 Uiso 0.493(5) 1 calc PR . 2
H54E H 0.4299 0.6979 0.2857 0.170 Uiso 0.493(5) 1 calc PR . 2
H54F H 0.3355 0.6802 0.2755 0.170 Uiso 0.493(5) 1 calc PR . 2
O19' O 0.278(3) 0.590(2) 0.140(2) 0.110(5) Uani 0.493(5) 1 d PU . 2
O20' O 0.386(3) 0.531(2) 0.158(2) 0.106(5) Uani 0.493(5) 1 d PU . 2
C18' C 0.354(3) 0.571(2) 0.134(2) 0.109(4) Uani 0.493(5) 1 d PDU . 2
C19' C 0.400(3) 0.6096(17) 0.0952(17) 0.113(5) Uani 0.493(5) 1 d PDU . 2
C20' C 0.488(3) 0.588(3) 0.099(3) 0.115(9) Uani 0.493(5) 1 d PDU . 2
H20D H 0.5179 0.6120 0.0737 0.173 Uiso 0.493(5) 1 calc PR . 2
H20E H 0.4878 0.5484 0.0858 0.173 Uiso 0.493(5) 1 calc PR . 2
H20F H 0.5133 0.5908 0.1412 0.173 Uiso 0.493(5) 1 calc PR . 2
C21' C 0.358(4) 0.606(3) 0.0308(17) 0.115(10) Uani 0.493(5) 1 d PDU . 2
H21D H 0.3864 0.6301 0.0047 0.173 Uiso 0.493(5) 1 calc PR . 2
H21E H 0.3011 0.6194 0.0295 0.173 Uiso 0.493(5) 1 calc PR . 2
H21F H 0.3577 0.5663 0.0169 0.173 Uiso 0.493(5) 1 calc PR . 2
C22' C 0.397(4) 0.6701(17) 0.120(3) 0.118(7) Uani 0.493(5) 1 d PDU . 2
H22D H 0.4252 0.6962 0.0953 0.177 Uiso 0.493(5) 1 calc PR . 2
H22E H 0.4231 0.6710 0.1616 0.177 Uiso 0.493(5) 1 calc PR . 2
H22F H 0.3396 0.6821 0.1184 0.177 Uiso 0.493(5) 1 calc PR . 2
P1 P 0.0873(3) 0.3773(2) 0.2742(3) 0.0524(12) Uani 1 1 d U . .
P2 P 0.3780(3) 0.3945(3) 0.3528(3) 0.0554(11) Uani 1 1 d U . .
P3 P 0.3486(5) 0.3774(4) 0.1319(3) 0.0765(15) Uani 1 1 d U . .
O4 O 0.1011(8) 0.3160(6) 0.2989(6) 0.051(2) Uani 1 1 d U . .
O5 O 0.1048(8) 0.3860(6) 0.2108(7) 0.057(2) Uani 1 1 d U . .
O6 O 0.1423(8) 0.4134(6) 0.3202(7) 0.056(2) Uani 1 1 d U . .
O7 O 0.2572(11) 0.3847(8) 0.1248(7) 0.074(3) Uani 1 1 d U . .
O8 O 0.3782(10) 0.3161(8) 0.1463(7) 0.073(2) Uani 1 1 d U . .
O9 O 0.3935(11) 0.4139(8) 0.1836(7) 0.077(2) Uani 1 1 d U . .
O10 O 0.4103(12) 0.2500 0.2503(10) 0.068(3) Uani 1 2 d SU . .
H10D H 0.3924 0.2500 0.2913 0.082 Uiso 1 2 calc SR . .
O11 O 0.0966(11) 0.2500 0.1777(9) 0.052(3) Uani 1 2 d SU . .
H11D H 0.0363 0.2500 0.1793 0.062 Uiso 1 2 calc SR . .
O12 O 0.2375(7) 0.3064(6) 0.2200(6) 0.044(2) Uani 1 1 d U . .
H12D H 0.2647 0.3383 0.2448 0.053 Uiso 1 1 calc R . .
O13 O 0.2150(13) 0.2500 0.1111(7) 0.062(3) Uani 1 2 d SU . .
H13A H 0.2326 0.2500 0.0700 0.074 Uiso 1 2 calc SRD . .
O14 O 0.2313(11) 0.2500 0.3516(8) 0.046(3) Uani 1 2 d SU . .
H14A H 0.2918 0.2500 0.3509 0.056 Uiso 1 2 calc SR . .
O15 O 0.204(3) 0.4118(14) 0.4499(14) 0.075(4) Uani 0.56(4) 1 d PU . 1
O15' O 0.153(3) 0.4078(19) 0.4574(18) 0.077(4) Uani 0.44(4) 1 d PU . 2
O16 O 0.2052(10) 0.4923(8) 0.4175(8) 0.077(3) Uani 1 1 d U . .
O21 O 0.5102(11) 0.4921(9) 0.2496(10) 0.095(4) Uani 1 1 d U . .
O22 O 0.5571(12) 0.4090(12) 0.2432(13) 0.126(4) Uani 1 1 d U . .
O23 O 0.5758(9) 0.2964(12) 0.3034(10) 0.110(5) Uani 1 1 d U . .
O24 O 0.543(3) 0.278(2) 0.176(2) 0.100(5) Uani 0.46(4) 1 d PU . 1
O24' O 0.574(2) 0.306(2) 0.1684(19) 0.103(5) Uani 0.54(4) 1 d PU . 2
O25 O 0.2589(9) 0.2979(8) 0.4765(6) 0.063(3) Uani 1 1 d U . .
O26 O 0.0789(18) 0.3036(16) 0.4354(14) 0.069(4) Uani 0.50 1 d PU . 1
O26' O 0.0890(15) 0.2500 0.4219(12) 0.079(3) Uani 1 2 d SU . 2
O30 O 0.057(2) 0.4127(17) 0.0895(18) 0.095(5) Uani 0.519(13) 1 d PU A 1
O31 O 0.006(3) 0.3271(19) 0.106(2) 0.092(5) Uani 0.519(13) 1 d PU A 1
C69 C -0.008(3) 0.378(2) 0.085(2) 0.099(5) Uani 0.519(13) 1 d PDU A 1
C70 C -0.086(3) 0.4031(14) 0.0523(16) 0.110(7) Uani 0.519(13) 1 d PDU A 1
C71 C -0.085(3) 0.4667(15) 0.050(2) 0.120(11) Uani 0.519(13) 1 d PDU A 1
H71A H -0.1166 0.4800 0.0127 0.180 Uiso 0.519(13) 1 calc PR A 1
H71B H -0.0285 0.4800 0.0518 0.180 Uiso 0.519(13) 1 calc PR A 1
H71C H -0.1091 0.4822 0.0846 0.180 Uiso 0.519(13) 1 calc PR A 1
C72 C -0.103(3) 0.384(2) -0.0113(17) 0.120(11) Uani 0.519(13) 1 d PDU A 1
H72A H -0.1598 0.3930 -0.0271 0.179 Uiso 0.519(13) 1 calc PR A 1
H72B H -0.0944 0.3427 -0.0134 0.179 Uiso 0.519(13) 1 calc PR A 1
H72C H -0.0662 0.4039 -0.0354 0.179 Uiso 0.519(13) 1 calc PR A 1
C73 C -0.160(2) 0.388(2) 0.081(2) 0.119(10) Uani 0.519(13) 1 d PDU A 1
H73A H -0.1811 0.4222 0.0985 0.179 Uiso 0.519(13) 1 calc PR A 1
H73B H -0.1448 0.3595 0.1126 0.179 Uiso 0.519(13) 1 calc PR A 1
H73C H -0.2014 0.3718 0.0505 0.179 Uiso 0.519(13) 1 calc PR A 1
N3S N 0.131(3) 0.3500(17) 0.0166(12) 0.107(5) Uani 0.519(13) 1 d PDU . 1
C5S C 0.141(2) 0.3067(17) 0.0093(9) 0.107(6) Uani 0.519(13) 1 d PDU . 1
C6S C 0.156(2) 0.2418(17) -0.0255(9) 0.170(16) Uani 0.519(13) 1 d PRDU . 1
H6SA H 0.1577 0.2502 -0.0671 0.255 Uiso 1.04(3) 2 d SPRD A 1
H6SB H 0.2074 0.2351 -0.0092 0.255 Uiso 0.519(13) 1 d PRD A 1
H6SC H 0.1132 0.2247 -0.0218 0.255 Uiso 0.519(13) 1 d PRD A 1
O30' O 0.103(3) 0.4079(18) 0.0605(12) 0.098(5) Uani 0.481(13) 1 d PDU A 2
O31' O 0.134(4) 0.3310(14) 0.0321(15) 0.101(5) Uani 0.481(13) 1 d PDU A 2
C69' C 0.122(3) 0.3821(13) 0.0154(15) 0.105(5) Uani 0.481(13) 1 d PDU A 2
C70' C 0.099(2) 0.4007(13) -0.0498(15) 0.111(7) Uani 0.481(13) 1 d PDU A 2
C71' C 0.090(4) 0.4653(13) -0.052(2) 0.118(11) Uani 0.481(13) 1 d PDU A 2
H71D H 0.1417 0.4829 -0.0338 0.178 Uiso 0.481(13) 1 calc PR A 2
H71E H 0.0464 0.4768 -0.0287 0.178 Uiso 0.481(13) 1 calc PR A 2
H71F H 0.0775 0.4778 -0.0935 0.178 Uiso 0.481(13) 1 calc PR A 2
C72' C 0.166(3) 0.382(2) -0.0859(18) 0.116(11) Uani 0.481(13) 1 d PDU A 2
H72D H 0.2189 0.3963 -0.0668 0.174 Uiso 0.481(13) 1 calc PR A 2
H72E H 0.1553 0.3967 -0.1270 0.174 Uiso 0.481(13) 1 calc PR A 2
H72F H 0.1680 0.3398 -0.0872 0.174 Uiso 0.481(13) 1 calc PR A 2
C73' C 0.019(2) 0.372(2) -0.074(2) 0.118(11) Uani 0.481(13) 1 d PDU A 2
H73D H -0.0235 0.3837 -0.0493 0.178 Uiso 0.481(13) 1 calc PR A 2
H73E H 0.0254 0.3305 -0.0719 0.178 Uiso 0.481(13) 1 calc PR A 2
H73F H 0.0028 0.3838 -0.1157 0.178 Uiso 0.481(13) 1 calc PR A 2
N3S' N -0.007(4) 0.332(2) 0.094(3) 0.096(5) Uani 0.481(13) 1 d PDU . 2
C5S' C -0.054(3) 0.3018(19) 0.064(3) 0.100(6) Uani 0.481(13) 1 d PDU . 2
C6S' C -0.078(3) 0.2381(17) 0.046(2) 0.105(8) Uani 0.481(13) 1 d PDU . 2
H6SE H -0.1080 0.2198 0.0743 0.126 Uiso 0.481(13) 1 d PR A 2
H6SF H -0.0392 0.2123 0.0329 0.126 Uiso 0.481(13) 1 d PR A 2
H6SD H -0.1157 0.2503 0.0123 0.158 Uiso 0.96(3) 2 d SPR A 2
O33 O 0.2467(9) 0.4718(7) 0.2311(7) 0.0654(19) Uani 1 1 d U . .
H3D H 0.2273 0.4366 0.2083 0.079 Uiso 1 1 calc R B 1
O1W O 0.162(3) 0.516(2) 0.117(2) 0.113(9) Uani 0.507(5) 1 d PU . 1
H1WA H 0.1502 0.4803 0.1142 0.136 Uiso 0.507(5) 1 d PR . 1
H1WB H 0.1554 0.5367 0.0861 0.136 Uiso 0.507(5) 1 d PR . 1
O1W' O 0.115(3) 0.514(2) 0.140(2) 0.109(9) Uani 0.493(5) 1 d PU . 2
H1WC H 0.0901 0.4852 0.1514 0.130 Uiso 0.493(5) 1 d PR . 2
H1WD H 0.1016 0.5287 0.1058 0.130 Uiso 0.493(5) 1 d PR . 2
C1 C 0.4527(14) 0.3943(13) 0.4205(11) 0.072(4) Uani 1 1 d U . .
C2 C 0.5276(16) 0.4261(15) 0.4074(13) 0.093(7) Uani 1 1 d U . .
H2A H 0.5680 0.4265 0.4435 0.140 Uiso 1 1 calc R . .
H2B H 0.5128 0.4655 0.3957 0.140 Uiso 1 1 calc R . .
H2C H 0.5509 0.4071 0.3745 0.140 Uiso 1 1 calc R . .
C3 C 0.4699(16) 0.3336(12) 0.4395(12) 0.079(6) Uani 1 1 d U . .
H3A H 0.5099 0.3330 0.4758 0.118 Uiso 1 1 calc R . .
H3B H 0.4919 0.3129 0.4070 0.118 Uiso 1 1 calc R . .
H3C H 0.4193 0.3152 0.4480 0.118 Uiso 1 1 calc R . .
C4 C 0.4120(16) 0.4260(13) 0.4711(11) 0.082(6) Uani 1 1 d U . .
H4A H 0.4503 0.4271 0.5083 0.123 Uiso 1 1 calc R . .
H4B H 0.3624 0.4056 0.4784 0.123 Uiso 1 1 calc R . .
H4C H 0.3979 0.4652 0.4580 0.123 Uiso 1 1 calc R . .
C5 C -0.0195(13) 0.3943(11) 0.2772(12) 0.066(4) Uani 1 1 d U . .
C6 C -0.0421(14) 0.4490(11) 0.2374(13) 0.077(6) Uani 1 1 d U . .
H6A H -0.0996 0.4587 0.2385 0.116 Uiso 1 1 calc R . .
H6B H -0.0330 0.4412 0.1957 0.116 Uiso 1 1 calc R . .
H6C H -0.0077 0.4812 0.2531 0.116 Uiso 1 1 calc R . .
C7 C -0.0725(15) 0.3460(12) 0.2490(14) 0.086(7) Uani 1 1 d U . .
H7A H -0.1301 0.3554 0.2501 0.129 Uiso 1 1 calc R . .
H7B H -0.0591 0.3106 0.2715 0.129 Uiso 1 1 calc R . .
H7C H -0.0626 0.3408 0.2071 0.129 Uiso 1 1 calc R . .
C8 C -0.0339(14) 0.4045(12) 0.3415(12) 0.077(6) Uani 1 1 d U . .
H8A H -0.0915 0.4141 0.3427 0.115 Uiso 1 1 calc R . .
H8B H 0.0005 0.4362 0.3584 0.115 Uiso 1 1 calc R . .
H8C H -0.0202 0.3698 0.3653 0.115 Uiso 1 1 calc R . .
C9 C 0.385(2) 0.3964(17) 0.0608(13) 0.111(7) Uani 1 1 d U . .
C10 C 0.473(2) 0.4084(17) 0.0705(14) 0.116(8) Uani 1 1 d U . .
H10A H 0.4913 0.4198 0.0322 0.174 Uiso 1 1 calc R . .
H10B H 0.5024 0.3740 0.0859 0.174 Uiso 1 1 calc R . .
H10C H 0.4837 0.4396 0.0998 0.174 Uiso 1 1 calc R . .
C11 C 0.363(2) 0.3488(17) 0.0143(14) 0.126(9) Uani 1 1 d U . .
H11A H 0.3821 0.3596 -0.0239 0.189 Uiso 1 1 calc R . .
H11B H 0.3041 0.3433 0.0082 0.189 Uiso 1 1 calc R . .
H11C H 0.3901 0.3132 0.0290 0.189 Uiso 1 1 calc R . .
C12 C 0.339(2) 0.4500(17) 0.0356(14) 0.123(8) Uani 1 1 d U . .
H12A H 0.3589 0.4609 -0.0024 0.184 Uiso 1 1 calc R . .
H12B H 0.3495 0.4814 0.0646 0.184 Uiso 1 1 calc R . .
H12C H 0.2808 0.4420 0.0284 0.184 Uiso 1 1 calc R . .
C23 C 0.571(2) 0.4610(18) 0.2425(19) 0.116(4) Uani 1 1 d U . .
C24 C 0.656(2) 0.4855(19) 0.241(2) 0.124(6) Uani 1 1 d U . .
C25 C 0.719(2) 0.4470(19) 0.281(2) 0.138(9) Uani 1 1 d U . .
H25A H 0.7163 0.4077 0.2658 0.208 Uiso 1 1 calc R . .
H25B H 0.7059 0.4469 0.3230 0.208 Uiso 1 1 calc R . .
H25C H 0.7741 0.4622 0.2807 0.208 Uiso 1 1 calc R . .
C26 C 0.673(2) 0.479(2) 0.181(2) 0.154(9) Uani 1 1 d U . .
H26A H 0.6365 0.5040 0.1540 0.230 Uiso 1 1 calc R . .
H26B H 0.6643 0.4393 0.1679 0.230 Uiso 1 1 calc R . .
H26C H 0.7297 0.4899 0.1781 0.230 Uiso 1 1 calc R . .
C27 C 0.657(2) 0.5458(17) 0.2652(19) 0.129(8) Uani 1 1 d U . .
H27A H 0.6183 0.5694 0.2387 0.193 Uiso 1 1 calc R . .
H27B H 0.7117 0.5617 0.2667 0.193 Uiso 1 1 calc R . .
H27C H 0.6404 0.5456 0.3058 0.193 Uiso 1 1 calc R . .
C28 C 0.1888(18) 0.4602(13) 0.4588(12) 0.081(3) Uani 1 1 d U . .
C29 C 0.175(2) 0.4871(14) 0.5179(14) 0.096(5) Uani 1 1 d U . .
C30 C 0.137(3) 0.4513(18) 0.5624(17) 0.133(9) Uani 1 1 d U . .
H30A H 0.0783 0.4469 0.5490 0.199 Uiso 1 1 calc R . .
H30B H 0.1445 0.4701 0.6019 0.199 Uiso 1 1 calc R . .
H30C H 0.1629 0.4136 0.5655 0.199 Uiso 1 1 calc R . .
C31 C 0.261(3) 0.4922(18) 0.5539(17) 0.136(9) Uani 1 1 d U . .
H31A H 0.2568 0.5080 0.5939 0.205 Uiso 1 1 calc R . .
H31B H 0.2948 0.5176 0.5324 0.205 Uiso 1 1 calc R . .
H31C H 0.2864 0.4543 0.5581 0.205 Uiso 1 1 calc R . .
C32 C 0.154(3) 0.5469(15) 0.5155(16) 0.128(8) Uani 1 1 d U . .
H32A H 0.1008 0.5521 0.4906 0.192 Uiso 1 1 calc R . .
H32B H 0.1956 0.5685 0.4979 0.192 Uiso 1 1 calc R . .
H32C H 0.1498 0.5610 0.5563 0.192 Uiso 1 1 calc R . .
C33 C 0.271(2) 0.2500 0.5003(14) 0.068(5) Uani 1 2 d SU . .
C34 C 0.312(2) 0.2500 0.5706(15) 0.083(6) Uani 1 2 d SU . .
C35 C 0.395(2) 0.2500 0.5753(17) 0.100(9) Uani 1 2 d SU . .
H35A H 0.4182 0.2500 0.6179 0.150 Uiso 1 2 calc SR . .
H35B H 0.4140 0.2842 0.5556 0.150 Uiso 0.50 1 calc PR . .
H35C H 0.4140 0.2158 0.5556 0.150 Uiso 0.50 1 calc PR . .
C36 C 0.278(3) 0.2982(19) 0.6030(15) 0.135(9) Uani 1 1 d U . .
H36A H 0.3019 0.2979 0.6454 0.203 Uiso 1 1 calc R . .
H36B H 0.2186 0.2939 0.6004 0.203 Uiso 1 1 calc R . .
H36C H 0.2908 0.3345 0.5845 0.203 Uiso 1 1 calc R . .
C37 C 0.052(2) 0.2500 0.4487(17) 0.073(4) Uani 1 2 d SU . .
C38 C -0.009(2) 0.2500 0.4869(17) 0.074(5) Uani 1 2 d SU . .
C39 C -0.0684(17) 0.3044(13) 0.4762(14) 0.093(7) Uani 1 1 d U . .
H39A H -0.0966 0.3036 0.4349 0.139 Uiso 1 1 calc R . .
H39B H -0.0364 0.3397 0.4824 0.139 Uiso 1 1 calc R . .
H39C H -0.1087 0.3031 0.5048 0.139 Uiso 1 1 calc R . .
C40 C 0.036(2) 0.2500 0.5499(17) 0.087(8) Uani 1 2 d SU . .
H40A H 0.0713 0.2161 0.5556 0.130 Uiso 0.50 1 calc PR . .
H40B H -0.0032 0.2494 0.5790 0.130 Uiso 1 2 calc SR . .
H40C H 0.0700 0.2845 0.5560 0.130 Uiso 0.50 1 calc PR . .
C41 C 0.590(3) 0.2500 0.159(2) 0.105(5) Uani 1 2 d SU . .
C42 C 0.656(3) 0.2500 0.123(2) 0.115(6) Uani 1 2 d SU . .
C43 C 0.625(3) 0.2500 0.062(2) 0.134(10) Uani 1 2 d SU . .
H43A H 0.5848 0.2193 0.0541 0.200 Uiso 0.50 1 calc PR . .
H43B H 0.6699 0.2437 0.0378 0.200 Uiso 0.50 1 calc PR . .
H43C H 0.5993 0.2869 0.0513 0.200 Uiso 0.50 1 calc PR . .
C44 C 0.717(2) 0.2951(3) 0.142(2) 0.163(11) Uani 1 1 d U . .
H44A H 0.7307 0.2945 0.1854 0.244 Uiso 1 1 calc R . .
H44B H 0.6934 0.3325 0.1291 0.244 Uiso 1 1 calc R . .
H44C H 0.7658 0.2885 0.1223 0.244 Uiso 1 1 calc RD . .
C45 C 0.602(2) 0.2500 0.321(2) 0.115(6) Uani 1 2 d SU . .
C46 C 0.685(2) 0.2500 0.364(2) 0.123(7) Uani 1 2 d SU . .
C47 C 0.693(2) 0.3034(3) 0.401(2) 0.168(11) Uani 1 1 d DU . .
H47A H 0.7448 0.3026 0.4282 0.252 Uiso 1 1 calc R . .
H47B H 0.6476 0.3057 0.4254 0.252 Uiso 1 1 calc R . .
H47C H 0.6921 0.3369 0.3748 0.252 Uiso 1 1 calc R . .
C48 C 0.753(2) 0.2500 0.324(2) 0.127(10) Uani 1 2 d SU . .
H48A H 0.8056 0.2500 0.3495 0.191 Uiso 1 2 calc SR . .
H48B H 0.7479 0.2842 0.2988 0.191 Uiso 0.50 1 calc PR . .
H48C H 0.7479 0.2158 0.2988 0.191 Uiso 0.50 1 calc PR . .
N1S N 0.188(7) 0.7500 0.186(5) 0.36(4) Uiso 1 2 d SDU . .
C1S C 0.167(7) 0.7500 0.134(5) 0.35(4) Uiso 1 2 d SDU . .
C2S C 0.165(8) 0.7500 0.066(5) 0.35(4) Uiso 1 2 d SDU . .
H2SA H 0.1531 0.7887 0.0508 0.520 Uiso 0.50 1 calc PR . .
H2SB H 0.1225 0.7237 0.0483 0.520 Uiso 0.50 1 calc PR . .
H2SC H 0.2181 0.7376 0.0559 0.520 Uiso 0.50 1 calc PR . .
N2S N 0.187(9) 0.2500 -0.201(5) 0.25(6) Uiso 0.50 2 d SPDU . .
C3S C 0.247(9) 0.2801(8) -0.179(5) 0.25(6) Uiso 0.25 1 d PDU . .
C4S C 0.330(9) 0.2500 -0.156(5) 0.25(6) Uiso 0.50 2 d SPDU . .
H4SA H 0.3620 0.2729 -0.1255 0.382 Uiso 0.25 1 d PRD . .
H4SB H 0.3187 0.2138 -0.1386 0.382 Uiso 0.25 1 d PRD . .
H4SC H 0.3611 0.2441 -0.1887 0.382 Uiso 0.25 1 d PRD . .
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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'
N N 0.0061 0.0033 '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
O15 Dy1 O3' 70.4(13) . .
O15 Dy1 O26 93.0(14) . .
O3' Dy1 O26 163.3(12) . .
O15 Dy1 O25 78.0(10) . .
O3' Dy1 O25 91.5(8) . .
O26 Dy1 O25 82.3(9) . .
O15 Dy1 O14 152.3(11) . .
O3' Dy1 O14 93.0(9) . .
O26 Dy1 O14 101.3(10) . .
O25 Dy1 O14 80.5(6) . .
O15 Dy1 O3 90.4(13) . .
O3' Dy1 O3 22.2(8) . .
O26 Dy1 O3 167.1(11) . .
O25 Dy1 O3 86.3(8) . .
O14 Dy1 O3 70.8(9) . .
O15 Dy1 O15' 22.2(11) . .
O3' Dy1 O15' 91.6(15) . .
O26 Dy1 O15' 72.3(15) . .
O25 Dy1 O15' 83.5(12) . .
O14 Dy1 O15' 163.5(11) . .
O3 Dy1 O15' 112.4(15) . .
O15 Dy1 O4 133.1(10) . .
O3' Dy1 O4 108.2(8) . .
O26 Dy1 O4 84.8(9) . .
O25 Dy1 O4 147.0(6) . .
O14 Dy1 O4 72.4(5) . .
O3 Dy1 O4 101.9(8) . .
O15' Dy1 O4 121.0(12) . .
O15 Dy1 O6 77.8(10) . .
O3' Dy1 O6 70.2(8) . .
O26 Dy1 O6 109.8(9) . .
O25 Dy1 O6 153.5(5) . .
O14 Dy1 O6 118.2(5) . .
O3 Dy1 O6 83.1(8) . .
O15' Dy1 O6 78.3(11) . .
O4 Dy1 O6 59.4(5) . .
O15 Dy1 O26' 118.6(11) . .
O3' Dy1 O26' 162.5(9) . .
O26 Dy1 O26' 28.8(10) . .
O25 Dy1 O26' 76.8(7) . .
O14 Dy1 O26' 72.5(5) . .
O3 Dy1 O26' 141.6(9) . .
O15' Dy1 O26' 99.8(13) . .
O4 Dy1 O26' 77.2(7) . .
O6 Dy1 O26' 125.0(6) . .
O15 Dy1 P1 105.2(9) . .
O3' Dy1 P1 90.4(7) . .
O26 Dy1 P1 96.6(8) . .
O25 Dy1 P1 176.7(4) . .
O14 Dy1 P1 96.6(4) . .
O3 Dy1 P1 94.4(7) . .
O15' Dy1 P1 99.2(11) . .
O4 Dy1 P1 29.7(4) . .
O6 Dy1 P1 29.8(3) . .
O26' Dy1 P1 100.7(6) . .
O15 Dy1 Co3 160.7(9) . .
O3' Dy1 Co3 96.3(8) . .
O26 Dy1 Co3 100.4(9) . .
O25 Dy1 Co3 117.3(4) . .
O14 Dy1 Co3 37.1(4) . .
O3 Dy1 Co3 79.6(7) . .
O15' Dy1 Co3 157.4(12) . .
O4 Dy1 Co3 36.4(3) . .
O6 Dy1 Co3 84.6(3) . .
O26' Dy1 Co3 78.1(5) . .
P1 Dy1 Co3 59.69(12) . .
O7 Dy2 O31' 82.5(14) . .
O7 Dy2 O31 143.8(12) . .
O31' Dy2 O31 78(2) . .
O7 Dy2 O5 94.7(6) . .
O31' Dy2 O5 140.6(10) . .
O31 Dy2 O5 82.3(15) . .
O7 Dy2 O11 143.7(6) . .
O31' Dy2 O11 115.6(11) . .
O31 Dy2 O11 72.5(12) . .
O5 Dy2 O11 89.6(5) . .
O7 Dy2 O13 89.0(6) . .
O31' Dy2 O13 75.3(11) . .
O31 Dy2 O13 114.3(13) . .
O5 Dy2 O13 144.2(5) . .
O11 Dy2 O13 67.8(6) . .
O7 Dy2 O12 75.6(5) . .
O31' Dy2 O12 139.9(14) . .
O31 Dy2 O12 136.6(13) . .
O5 Dy2 O12 75.3(5) . .
O11 Dy2 O12 70.8(5) . .
O13 Dy2 O12 71.2(5) . .
O7 Dy2 O30' 73.2(12) . .
O31' Dy2 O30' 50.0(11) . .
O31 Dy2 O30' 70.9(16) . .
O5 Dy2 O30' 91.4(8) . .
O11 Dy2 O30' 142.8(12) . .
O13 Dy2 O30' 123.6(9) . .
O12 Dy2 O30' 144.7(11) . .
O7 Dy2 O30 89.8(11) . .
O31' Dy2 O30 69.4(15) . .
O31 Dy2 O30 54.9(14) . .
O5 Dy2 O30 71.3(11) . .
O11 Dy2 O30 125.4(11) . .
O13 Dy2 O30 144.4(11) . .
O12 Dy2 O30 142.1(10) . .
O30' Dy2 O30 24.9(11) . .
O7 Dy2 N3S' 138.8(15) . .
O31' Dy2 N3S' 73(2) . .
O31 Dy2 N3S' 6(3) . .
O5 Dy2 N3S' 84.8(17) . .
O11 Dy2 N3S' 77.4(14) . .
O13 Dy2 N3S' 114.9(14) . .
O12 Dy2 N3S' 142.2(18) . .
O30' Dy2 N3S' 65.7(18) . .
O30 Dy2 N3S' 50.9(15) . .
O7 Dy2 N3S 77.9(10) . .
O31' Dy2 N3S 9.8(11) . .
O31 Dy2 N3S 77.5(17) . .
O5 Dy2 N3S 131.6(9) . .
O11 Dy2 N3S 124.1(10) . .
O13 Dy2 N3S 84.0(10) . .
O12 Dy2 N3S 143.7(10) . .
O30' Dy2 N3S 40.5(11) . .
O30 Dy2 N3S 61.1(14) . .
N3S' Dy2 N3S 72(2) . .
O7 Dy2 C69 117.6(11) . .
O31' Dy2 C69 70.8(17) . .
O31 Dy2 C69 26.7(15) . .
O5 Dy2 C69 76.0(11) . .
O11 Dy2 C69 98.4(11) . .
O13 Dy2 C69 132.6(11) . .
O12 Dy2 C69 149.3(11) . .
O30' Dy2 C69 46.3(15) . .
O30 Dy2 C69 28.3(13) . .
N3S' Dy2 C69 22.8(13) . .
N3S Dy2 C69 66.3(14) . .
O24 Dy3 O22 103.5(16) . .
O24 Dy3 O1' 146.9(17) . .
O22 Dy3 O1' 102.5(10) . .
O24 Dy3 O23 80.1(14) . .
O22 Dy3 O23 82.6(10) . .
O1' Dy3 O23 83.3(9) . .
O24 Dy3 O10 83.3(16) . .
O22 Dy3 O10 161.9(9) . .
O1' Dy3 O10 66.1(9) . .
O23 Dy3 O10 82.2(8) . .
O24 Dy3 O24' 21.8(15) . .
O22 Dy3 O24' 82.2(15) . .
O1' Dy3 O24' 163.6(14) . .
O23 Dy3 O24' 81.6(12) . .
O10 Dy3 O24' 105.1(14) . .
O24 Dy3 O1 175.1(15) . .
O22 Dy3 O1 75.6(10) . .
O1' Dy3 O1 31.0(10) . .
O23 Dy3 O1 95.0(9) . .
O10 Dy3 O1 96.2(8) . .
O24' Dy3 O1 157.8(15) . .
O24 Dy3 O8 77.4(14) . .
O22 Dy3 O8 125.2(9) . .
O1' Dy3 O8 103.5(8) . .
O23 Dy3 O8 147.6(8) . .
O10 Dy3 O8 72.3(7) . .
O24' Dy3 O8 86.0(12) . .
O1 Dy3 O8 107.1(8) . .
O24 Dy3 O9 119.8(14) . .
O22 Dy3 O9 74.9(8) . .
O1' Dy3 O9 86.6(9) . .
O23 Dy3 O9 152.7(8) . .
O10 Dy3 O9 116.5(6) . .
O24' Dy3 O9 109.9(12) . .
O1 Dy3 O9 64.8(8) . .
O8 Dy3 O9 59.6(6) . .
O24 Dy3 P3 97.7(13) . .
O22 Dy3 P3 99.8(8) . .
O1' Dy3 P3 97.6(8) . .
O23 Dy3 P3 177.1(7) . .
O10 Dy3 P3 95.7(5) . .
O24' Dy3 P3 97.1(11) . .
O1 Dy3 P3 87.2(7) . .
O8 Dy3 P3 29.5(5) . .
O9 Dy3 P3 30.2(4) . .
O24 Dy3 Co1 84.5(14) . .
O22 Dy3 Co1 159.2(7) . .
O1' Dy3 Co1 78.3(8) . .
O23 Dy3 Co1 118.0(6) . .
O10 Dy3 Co1 36.3(5) . .
O24' Dy3 Co1 103.1(13) . .
O1 Dy3 Co1 97.9(7) . .
O8 Dy3 Co1 37.1(4) . .
O9 Dy3 Co1 84.4(4) . .
P3 Dy3 Co1 59.79(15) . .
O24 Dy3 Dy3 52.9(15) . 4_565
O22 Dy3 Dy3 143.9(7) . 4_565
O1' Dy3 Dy3 94.2(8) . 4_565
O23 Dy3 Dy3 67.7(7) . 4_565
O10 Dy3 Dy3 32.8(4) . 4_565
O24' Dy3 Dy3 73.9(14) . 4_565
O1 Dy3 Dy3 125.3(7) . 4_565
O8 Dy3 Dy3 80.2(5) . 4_565
O9 Dy3 Dy3 138.6(4) . 4_565
P3 Dy3 Dy3 109.51(15) . 4_565
Co1 Dy3 Dy3 55.52(4) . 4_565
O12 Co1 O12 79.8(7) . 4_565
O12 Co1 O10 98.4(6) . .
O12 Co1 O10 98.4(6) 4_565 .
O12 Co1 O13 83.1(6) . .
O12 Co1 O13 83.1(6) 4_565 .
O10 Co1 O13 178.1(8) . .
O12 Co1 O8 172.9(6) . 4_565
O12 Co1 O8 93.1(6) 4_565 4_565
O10 Co1 O8 83.0(6) . 4_565
O13 Co1 O8 95.7(6) . 4_565
O12 Co1 O8 93.1(6) . .
O12 Co1 O8 172.9(6) 4_565 .
O10 Co1 O8 83.0(6) . .
O13 Co1 O8 95.7(6) . .
O8 Co1 O8 94.0(10) 4_565 .
O12 Co1 Dy2 43.3(3) . .
O12 Co1 Dy2 89.5(4) 4_565 .
O10 Co1 Dy2 139.0(3) . .
O13 Co1 Dy2 42.1(3) . .
O8 Co1 Dy2 137.0(5) 4_565 .
O8 Co1 Dy2 85.0(5) . .
O12 Co1 Dy2 89.5(4) . 4_565
O12 Co1 Dy2 43.3(3) 4_565 4_565
O10 Co1 Dy2 139.0(3) . 4_565
O13 Co1 Dy2 42.1(3) . 4_565
O8 Co1 Dy2 85.0(5) 4_565 4_565
O8 Co1 Dy2 137.0(5) . 4_565
Dy2 Co1 Dy2 68.08(8) . 4_565
O12 Co1 Dy3 136.4(4) . 4_565
O12 Co1 Dy3 89.9(4) 4_565 4_565
O10 Co1 Dy3 41.1(3) . 4_565
O13 Co1 Dy3 137.9(3) . 4_565
O8 Co1 Dy3 43.1(5) 4_565 4_565
O8 Co1 Dy3 95.6(5) . 4_565
Dy2 Co1 Dy3 179.37(11) . 4_565
Dy2 Co1 Dy3 111.48(3) 4_565 4_565
O12 Co1 Dy3 89.9(4) . .
O12 Co1 Dy3 136.4(4) 4_565 .
O10 Co1 Dy3 41.1(3) . .
O13 Co1 Dy3 137.9(3) . .
O8 Co1 Dy3 95.6(5) 4_565 .
O8 Co1 Dy3 43.1(5) . .
Dy2 Co1 Dy3 111.48(3) . .
Dy2 Co1 Dy3 179.38(11) 4_565 .
Dy3 Co1 Dy3 68.96(9) 4_565 .
O18' Co2 O33 130.5(14) . .
O18' Co2 O19 74(2) . .
O33 Co2 O19 135.2(15) . .
O18' Co2 O1W 122(2) . .
O33 Co2 O1W 93.5(15) . .
O19 Co2 O1W 102(2) . .
O18' Co2 O18 26.3(16) . .
O33 Co2 O18 122.6(14) . .
O19 Co2 O18 95(2) . .
O1W Co2 O18 103(2) . .
O18' Co2 O19' 101(2) . .
O33 Co2 O19' 120.2(16) . .
O19 Co2 O19' 28.7(17) . .
O1W Co2 O19' 79(2) . .
O18 Co2 O19' 117(2) . .
O18' Co2 O1W' 104(2) . .
O33 Co2 O1W' 93.2(14) . .
O19 Co2 O1W' 119.2(19) . .
O1W Co2 O1W' 28.0(16) . .
O18 Co2 O1W' 80(2) . .
O19' Co2 O1W' 103(2) . .
O18' Co2 C18 97(2) . .
O33 Co2 C18 110.0(14) . .
O19 Co2 C18 26.1(18) . .
O1W Co2 C18 100(2) . .
O18 Co2 C18 120.1(19) . .
O19' Co2 C18 23.3(18) . .
O1W' Co2 C18 126.1(19) . .
O18' Co2 Dy4 124.2(15) . .
O33 Co2 Dy4 41.6(5) . .
O19 Co2 Dy4 94.1(14) . .
O1W Co2 Dy4 113.4(13) . .
O18 Co2 Dy4 139.9(14) . .
O19' Co2 Dy4 87.4(15) . .
O1W' Co2 Dy4 128.0(14) . .
C18 Co2 Dy4 70.6(13) . .
O18' Co2 Dy4' 91.6(13) . .
O33 Co2 Dy4' 39.5(5) . .
O19 Co2 Dy4' 127.5(15) . .
O1W Co2 Dy4' 127.2(15) . .
O18 Co2 Dy4' 91.7(13) . .
O19' Co2 Dy4' 137.3(15) . .
O1W' Co2 Dy4' 113.2(13) . .
C18 Co2 Dy4' 115.4(13) . .
Dy4 Co2 Dy4' 52.86(9) . .
O12 Co3 O12 78.8(7) . 4_565
O12 Co3 O11 82.1(6) . .
O12 Co3 O11 82.1(6) 4_565 .
O12 Co3 O4 93.4(5) . .
O12 Co3 O4 172.1(5) 4_565 .
O11 Co3 O4 95.9(5) . .
O12 Co3 O4 172.1(5) . 4_565
O12 Co3 O4 93.4(5) 4_565 4_565
O11 Co3 O4 95.9(5) . 4_565
O4 Co3 O4 94.4(8) . 4_565
O12 Co3 O14 100.3(5) . .
O12 Co3 O14 100.3(5) 4_565 .
O11 Co3 O14 176.9(7) . .
O4 Co3 O14 82.1(5) . .
O4 Co3 O14 82.1(5) 4_565 .
O12 Co3 Dy2 43.1(3) . .
O12 Co3 Dy2 88.6(4) 4_565 .
O11 Co3 Dy2 41.5(3) . .
O4 Co3 Dy2 84.8(4) . .
O4 Co3 Dy2 136.6(4) 4_565 .
O14 Co3 Dy2 140.1(2) . .
O12 Co3 Dy2 88.6(4) . 4_565
O12 Co3 Dy2 43.1(3) 4_565 4_565
O11 Co3 Dy2 41.5(3) . 4_565
O4 Co3 Dy2 136.6(4) . 4_565
O4 Co3 Dy2 84.8(4) 4_565 4_565
O14 Co3 Dy2 140.1(2) . 4_565
Dy2 Co3 Dy2 67.68(8) . 4_565
O12 Co3 Dy1 90.9(4) . .
O12 Co3 Dy1 137.8(4) 4_565 .
O11 Co3 Dy1 137.3(3) . .
O4 Co3 Dy1 42.3(4) . .
O4 Co3 Dy1 95.8(4) 4_565 .
O14 Co3 Dy1 41.1(2) . .
Dy2 Co3 Dy1 111.25(3) . .
Dy2 Co3 Dy1 178.81(8) 4_565 .
O12 Co3 Dy1 137.8(4) . 4_565
O12 Co3 Dy1 90.9(4) 4_565 4_565
O11 Co3 Dy1 137.3(3) . 4_565
O4 Co3 Dy1 95.8(4) . 4_565
O4 Co3 Dy1 42.3(4) 4_565 4_565
O14 Co3 Dy1 41.1(2) . 4_565
Dy2 Co3 Dy1 178.81(8) . 4_565
Dy2 Co3 Dy1 111.25(3) 4_565 4_565
Dy1 Co3 Dy1 69.81(7) . 4_565
O6 Co4 O17 94.2(13) . .
O6 Co4 O16 90.9(7) . .
O17 Co4 O16 92.3(14) . .
O6 Co4 O2 103.5(9) . .
O17 Co4 O2 162.3(15) . .
O16 Co4 O2 87.8(10) . .
O6 Co4 O33 92.2(7) . .
O17 Co4 O33 102.8(14) . .
O16 Co4 O33 164.3(8) . .
O2 Co4 O33 76.5(9) . .
O6 Co4 O28 161.3(12) . .
O17 Co4 O28 87.0(16) . .
O16 Co4 O28 107.7(11) . .
O2 Co4 O28 76.0(13) . .
O33 Co4 O28 69.4(11) . .
O6 Co4 Dy4 116.3(5) . .
O17 Co4 Dy4 127.4(13) . .
O16 Co4 Dy4 126.3(6) . .
O2 Co4 Dy4 43.0(8) . .
O33 Co4 Dy4 39.6(4) . .
O28 Co4 Dy4 50.9(10) . .
O33 Dy4 O21 163.8(7) . .
O33 Dy4 O20 79.5(14) . .
O21 Dy4 O20 91.7(14) . .
O33 Dy4 O2 75.7(8) . .
O21 Dy4 O2 118.0(9) . .
O20 Dy4 O2 143.6(15) . .
O33 Dy4 O9 86.0(6) . .
O21 Dy4 O9 80.0(7) . .
O20 Dy4 O9 87.2(14) . .
O2 Dy4 O9 116.8(8) . .
O33 Dy4 O27 114.5(11) . .
O21 Dy4 O27 77.6(11) . .
O20 Dy4 O27 84.2(16) . .
O2 Dy4 O27 82.4(11) . .
O9 Dy4 O27 155.7(10) . .
O33 Dy4 O1 99.3(8) . .
O21 Dy4 O1 82.5(9) . .
O20 Dy4 O1 153.5(15) . .
O2 Dy4 O1 58.2(10) . .
O9 Dy4 O1 66.4(8) . .
O27 Dy4 O1 119.2(12) . .
O33 Dy4 O28 64.7(9) . .
O21 Dy4 O28 127.0(10) . .
O20 Dy4 O28 78.1(15) . .
O2 Dy4 O28 67.4(11) . .
O9 Dy4 O28 149.1(10) . .
O27 Dy4 O28 49.9(12) . .
O1 Dy4 O28 125.7(11) . .
O33 Dy4 C50 90.7(14) . .
O21 Dy4 C50 101.8(14) . .
O20 Dy4 C50 83.5(17) . .
O2 Dy4 C50 70.8(13) . .
O9 Dy4 C50 170.5(13) . .
O27 Dy4 C50 24.3(15) . .
O1 Dy4 C50 123.0(13) . .
O28 Dy4 C50 26.0(15) . .
O33 Dy4 P2 88.4(4) . .
O21 Dy4 P2 99.5(6) . .
O20 Dy4 P2 167.7(13) . .
O2 Dy4 P2 31.4(8) . .
O9 Dy4 P2 89.8(5) . .
O27 Dy4 P2 103.1(9) . .
O1 Dy4 P2 26.8(7) . .
O28 Dy4 P2 98.9(8) . .
C50 Dy4 P2 99.1(11) . .
O33 Dy4 Co2 37.5(4) . .
O21 Dy4 Co2 139.1(6) . .
O20 Dy4 Co2 48.5(13) . .
O2 Dy4 Co2 97.3(7) . .
O9 Dy4 Co2 103.2(5) . .
O27 Dy4 Co2 87.9(10) . .
O1 Dy4 Co2 136.7(7) . .
O28 Dy4 Co2 47.2(9) . .
C50 Dy4 Co2 69.2(13) . .
P2 Dy4 Co2 121.13(16) . .
O33 Dy4 Co4 41.8(4) . .
O21 Dy4 Co4 154.3(6) . .
O20 Dy4 Co4 105.3(13) . .
O2 Dy4 Co4 39.9(7) . .
O9 Dy4 Co4 119.3(4) . .
O27 Dy4 Co4 85.0(9) . .
O1 Dy4 Co4 89.9(7) . .
O28 Dy4 Co4 42.5(7) . .
C50 Dy4 Co4 62.2(12) . .
P2 Dy4 Co4 66.0(2) . .
Co2 Dy4 Co4 57.48(17) . .
P2 O1 Dy3 146(2) . .
P2 O1 Dy4 101.9(16) . .
Dy3 O1 Dy4 110.6(11) . .
P2 O2 Co4 134.5(15) . .
P2 O2 Dy4 100.6(14) . .
Co4 O2 Dy4 97.1(11) . .
P2 O3 Dy1 143.8(19) . .
C13 O17 Co4 138(3) . .
C13 O18 Co2 126(4) . .
O18 C13 O17 122(4) . .
O18 C13 C14 131(4) . .
O17 C13 C14 107(4) . .
C17 C14 C16 112.5(17) . .
C17 C14 C15 112.4(15) . .
C16 C14 C15 112.0(13) . .
C17 C14 C13 106.7(16) . .
C16 C14 C13 106.3(16) . .
C15 C14 C13 106.4(18) . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C14 C16 H16A 109.5 . .
C14 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C14 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C14 C17 H17A 109.5 . .
C14 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C14 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C50 O27 Dy4 99(5) . .
C50 O28 Co4 131(4) . .
C50 O28 Dy4 87(4) . .
Co4 O28 Dy4 86.6(11) . .
O27 C50 O28 122(9) . .
O27 C50 C51 117(6) . .
O28 C50 C51 121(5) . .
O27 C50 Dy4 57(4) . .
O28 C50 Dy4 67(5) . .
C51 C50 Dy4 170(3) . .
C53 C51 C52 109(3) . .
C53 C51 C54 109(3) . .
C52 C51 C54 109(3) . .
C53 C51 C50 110(3) . .
C52 C51 C50 110(3) . .
C54 C51 C50 110(3) . .
C51 C52 H52A 109.5 . .
C51 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C51 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
C51 C53 H53A 109.5 . .
C51 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
C51 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
C51 C54 H54A 109.5 . .
C51 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
C51 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
C18 O19 Co2 101(4) . .
C18 O20 Dy4 137(4) . .
O19 C18 O20 125(5) . .
O19 C18 C19 119(4) . .
O20 C18 C19 115(4) . .
O19 C18 Co2 53(3) . .
O20 C18 Co2 72(3) . .
C19 C18 Co2 170(3) . .
C22 C19 C21 107(3) . .
C22 C19 C20 107(3) . .
C21 C19 C20 107(3) . .
C22 C19 C18 112(2) . .
C21 C19 C18 112(2) . .
C20 C19 C18 112(2) . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C19 C21 H21A 109.5 . .
C19 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C19 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C19 C22 H22A 109.5 . .
C19 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C19 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
O16 Dy4' O33 162.0(7) . .
O16 Dy4' O17' 87.2(13) . .
O33 Dy4' O17' 77.1(13) . .
O16 Dy4' O6 82.2(6) . .
O33 Dy4' O6 87.3(6) . .
O17' Dy4' O6 83.8(12) . .
O16 Dy4' O2' 119.9(9) . .
O33 Dy4' O2' 78.0(8) . .
O17' Dy4' O2' 144.5(13) . .
O6 Dy4' O2' 119.8(8) . .
O16 Dy4' O29' 71.7(10) . .
O33 Dy4' O29' 115.0(10) . .
O17' Dy4' O29' 85.1(16) . .
O6 Dy4' O29' 152.1(10) . .
O2' Dy4' O29' 82.9(12) . .
O16 Dy4' O3' 86.0(9) . .
O33 Dy4' O3' 103.9(8) . .
O17' Dy4' O3' 152.6(13) . .
O6 Dy4' O3' 68.9(7) . .
O2' Dy4' O3' 59.2(10) . .
O29' Dy4' O3' 117.6(12) . .
O16 Dy4' O27' 122.7(10) . .
O33 Dy4' O27' 63.1(10) . .
O17' Dy4' O27' 78.5(14) . .
O6 Dy4' O27' 148.2(10) . .
O2' Dy4' O27' 67.7(12) . .
O29' Dy4' O27' 52.1(13) . .
O3' Dy4' O27' 126.9(11) . .
O16 Dy4' C50' 97.1(14) . .
O33 Dy4' C50' 89.5(13) . .
O17' Dy4' C50' 81.9(16) . .
O6 Dy4' C50' 165.7(12) . .
O2' Dy4' C50' 72.9(14) . .
O29' Dy4' C50' 25.8(16) . .
O3' Dy4' C50' 125.3(13) . .
O27' Dy4' C50' 26.4(16) . .
O16 Dy4' P2 104.0(5) . .
O33 Dy4' P2 91.4(4) . .
O17' Dy4' P2 168.5(12) . .
O6 Dy4' P2 95.2(4) . .
O2' Dy4' P2 29.2(7) . .
O29' Dy4' P2 100.5(10) . .
O3' Dy4' P2 30.0(7) . .
O27' Dy4' P2 96.9(9) . .
C50' Dy4' P2 98.8(12) . .
O16 Dy4' Co2 133.6(5) . .
O33 Dy4' Co2 35.2(4) . .
O17' Dy4' Co2 48.1(11) . .
O6 Dy4' Co2 101.5(4) . .
O2' Dy4' Co2 98.5(7) . .
O29' Dy4' Co2 89.9(10) . .
O3' Dy4' Co2 139.0(7) . .
O27' Dy4' Co2 47.5(9) . .
C50' Dy4' Co2 68.6(12) . .
P2 Dy4' Co2 121.40(16) . .
O16 Dy4' Co4' 154.8(5) . .
O33 Dy4' Co4' 41.9(5) . .
O17' Dy4' Co4' 105.8(11) . .
O6 Dy4' Co4' 120.0(4) . .
O2' Dy4' Co4' 40.5(8) . .
O29' Dy4' Co4' 87.7(9) . .
O3' Dy4' Co4' 91.1(7) . .
O27' Dy4' Co4' 43.3(9) . .
C50' Dy4' Co4' 64.5(13) . .
P2 Dy4' Co4' 64.7(2) . .
Co2 Dy4' Co4' 58.2(2) . .
O9 Co4' O20' 92.1(16) . .
O9 Co4' O21 94.7(10) . .
O20' Co4' O21 88.4(17) . .
O9 Co4' O2' 105.7(11) . .
O20' Co4' O2' 162.2(18) . .
O21 Co4' O2' 89.3(10) . .
O9 Co4' O33 95.0(8) . .
O20' Co4' O33 100.3(16) . .
O21 Co4' O33 166.7(9) . .
O2' Co4' O33 79.3(9) . .
O9 Co4' O27' 162.2(13) . .
O20' Co4' O27' 87.4(18) . .
O21 Co4' O27' 103.0(13) . .
O2' Co4' O27' 75.9(13) . .
O33 Co4' O27' 67.6(11) . .
O9 Co4' Dy4' 117.8(7) . .
O20' Co4' Dy4' 127.7(16) . .
O21 Co4' Dy4' 126.6(7) . .
O2' Co4' Dy4' 43.7(8) . .
O33 Co4' Dy4' 40.2(4) . .
O27' Co4' Dy4' 51.1(9) . .
P2 O1' Dy3 134.4(18) . .
P2 O2' Co4' 136.1(19) . .
P2 O2' Dy4' 98.5(14) . .
Co4' O2' Dy4' 95.8(12) . .
P2 O3' Dy1 159(2) . .
P2 O3' Dy4' 92.2(14) . .
Dy1 O3' Dy4' 107.3(12) . .
C13' O17' Dy4' 146(4) . .
C13' O18' Co2 101(3) . .
O17' C13' O18' 123(5) . .
O17' C13' C14' 126(4) . .
O18' C13' C14' 110(4) . .
C13' C14' C15' 110(2) . .
C13' C14' C16' 110(2) . .
C15' C14' C16' 109(2) . .
C13' C14' C17' 110(2) . .
C15' C14' C17' 109(2) . .
C16' C14' C17' 109(2) . .
C14' C15' H15D 109.5 . .
C14' C15' H15E 109.5 . .
H15D C15' H15E 109.5 . .
C14' C15' H15F 109.5 . .
H15D C15' H15F 109.5 . .
H15E C15' H15F 109.5 . .
C14' C16' H16D 109.5 . .
C14' C16' H16E 109.5 . .
H16D C16' H16E 109.5 . .
C14' C16' H16F 109.5 . .
H16D C16' H16F 109.5 . .
H16E C16' H16F 109.5 . .
C14' C17' H17D 109.5 . .
C14' C17' H17E 109.5 . .
H17D C17' H17E 109.5 . .
C14' C17' H17F 109.5 . .
H17D C17' H17F 109.5 . .
H17E C17' H17F 109.5 . .
C50' O27' Co4' 136(4) . .
C50' O27' Dy4' 86(4) . .
Co4' O27' Dy4' 85.6(11) . .
C50' O29' Dy4' 100(5) . .
O29' C50' O27' 122(8) . .
O29' C50' C51' 120(6) . .
O27' C50' C51' 118(4) . .
O29' C50' Dy4' 55(4) . .
O27' C50' Dy4' 67(4) . .
C51' C50' Dy4' 171(3) . .
C50' C51' C53' 108(2) . .
C50' C51' C54' 108(2) . .
C53' C51' C54' 111(2) . .
C50' C51' C52' 108(2) . .
C53' C51' C52' 111(2) . .
C54' C51' C52' 111(2) . .
C51' C52' H52D 109.5 . .
C51' C52' H52E 109.5 . .
H52D C52' H52E 109.5 . .
C51' C52' H52F 109.5 . .
H52D C52' H52F 109.5 . .
H52E C52' H52F 109.5 . .
C51' C53' H53D 109.5 . .
C51' C53' H53E 109.5 . .
H53D C53' H53E 109.5 . .
C51' C53' H53F 109.5 . .
H53D C53' H53F 109.5 . .
H53E C53' H53F 109.5 . .
C51' C54' H54D 109.5 . .
C51' C54' H54E 109.5 . .
H54D C54' H54E 109.5 . .
C51' C54' H54F 109.5 . .
H54D C54' H54F 109.5 . .
H54E C54' H54F 109.5 . .
C18' O19' Co2 119(3) . .
C18' O20' Co4' 142(4) . .
O20' C18' O19' 126(5) . .
O20' C18' C19' 120(4) . .
O19' C18' C19' 113(3) . .
C21' C19' C18' 108(2) . .
C21' C19' C20' 111(2) . .
C18' C19' C20' 108(2) . .
C21' C19' C22' 111(2) . .
C18' C19' C22' 108(2) . .
C20' C19' C22' 111(2) . .
C19' C20' H20D 109.5 . .
C19' C20' H20E 109.5 . .
H20D C20' H20E 109.5 . .
C19' C20' H20F 109.5 . .
H20D C20' H20F 109.5 . .
H20E C20' H20F 109.5 . .
C19' C21' H21D 109.5 . .
C19' C21' H21E 109.5 . .
H21D C21' H21E 109.5 . .
C19' C21' H21F 109.5 . .
H21D C21' H21F 109.5 . .
H21E C21' H21F 109.5 . .
C19' C22' H22D 109.5 . .
C19' C22' H22E 109.5 . .
H22D C22' H22E 109.5 . .
C19' C22' H22F 109.5 . .
H22D C22' H22F 109.5 . .
H22E C22' H22F 109.5 . .
O5 P1 O6 113.1(9) . .
O5 P1 O4 115.3(8) . .
O6 P1 O4 102.9(8) . .
O5 P1 C5 108.1(10) . .
O6 P1 C5 110.5(10) . .
O4 P1 C5 106.8(10) . .
O5 P1 Dy1 134.8(6) . .
O6 P1 Dy1 53.1(6) . .
O4 P1 Dy1 49.9(5) . .
C5 P1 Dy1 117.1(9) . .
O1 P2 O2' 66.4(18) . .
O1 P2 O3' 136.8(17) . .
O2' P2 O3' 110.1(18) . .
O1 P2 O3 115.9(17) . .
O2' P2 O3 134.7(17) . .
O3' P2 O3 34.7(13) . .
O1 P2 O2 99.3(17) . .
O2' P2 O2 35.7(13) . .
O3' P2 O2 76.8(16) . .
O3 P2 O2 108.3(15) . .
O1 P2 O1' 47.4(15) . .
O2' P2 O1' 112.5(17) . .
O3' P2 O1' 109.2(17) . .
O3 P2 O1' 76.0(16) . .
O2 P2 O1' 138.4(15) . .
O1 P2 C1 111.6(15) . .
O2' P2 C1 108.8(15) . .
O3' P2 C1 109.9(14) . .
O3 P2 C1 111.0(14) . .
O2 P2 C1 110.0(14) . .
O1' P2 C1 106.3(14) . .
O1 P2 Dy4' 105.8(13) . .
O2' P2 Dy4' 52.3(12) . .
O3' P2 Dy4' 57.8(13) . .
O3 P2 Dy4' 87.1(12) . .
O2 P2 Dy4' 21.6(10) . .
O1' P2 Dy4' 130.0(11) . .
C1 P2 Dy4' 123.7(9) . .
O1 P2 Dy4 51.3(13) . .
O2' P2 Dy4 18.9(12) . .
O3' P2 Dy4 112.0(12) . .
O3 P2 Dy4 125.9(11) . .
O2 P2 Dy4 48.0(10) . .
O1' P2 Dy4 94.9(11) . .
C1 P2 Dy4 122.6(9) . .
Dy4' P2 Dy4 58.21(14) . .
O7 P3 O8 114.6(10) . .
O7 P3 O9 113.3(11) . .
O8 P3 O9 104.4(11) . .
O7 P3 C9 108.4(14) . .
O8 P3 C9 106.1(16) . .
O9 P3 C9 109.7(12) . .
O7 P3 Dy3 135.8(7) . .
O8 P3 Dy3 50.3(7) . .
O9 P3 Dy3 54.4(8) . .
C9 P3 Dy3 115.7(13) . .
P1 O4 Co3 127.0(8) . .
P1 O4 Dy1 100.4(7) . .
Co3 O4 Dy1 101.3(5) . .
P1 O5 Dy2 138.1(9) . .
P1 O6 Co4 139.8(10) . .
P1 O6 Dy4' 143.3(9) . .
Co4 O6 Dy4' 15.7(3) . .
P1 O6 Dy1 97.1(7) . .
Co4 O6 Dy1 119.1(7) . .
Dy4' O6 Dy1 106.5(5) . .
P3 O7 Dy2 139.1(11) . .
P3 O8 Co1 126.4(10) . .
P3 O8 Dy3 100.2(9) . .
Co1 O8 Dy3 99.8(7) . .
P3 O9 Co4' 143.3(13) . .
P3 O9 Dy4 144.5(11) . .
Co4' O9 Dy4 9.5(4) . .
P3 O9 Dy3 95.4(9) . .
Co4' O9 Dy3 117.6(9) . .
Dy4 O9 Dy3 111.0(7) . .
Co1 O10 Dy3 102.6(6) . 4_565
Co1 O10 Dy3 102.6(6) . .
Dy3 O10 Dy3 114.3(9) 4_565 .
Co1 O10 H10D 112.1 . .
Dy3 O10 H10D 112.1 4_565 .
Dy3 O10 H10D 112.1 . .
Co3 O11 Dy2 102.0(5) . .
Co3 O11 Dy2 102.0(5) . 4_565
Dy2 O11 Dy2 110.4(8) . 4_565
Co3 O11 H11D 113.7 . .
Dy2 O11 H11D 113.7 . .
Dy2 O11 H11D 113.7 4_565 .
Co1 O12 Co3 100.6(6) . .
Co1 O12 Dy2 100.5(5) . .
Co3 O12 Dy2 100.5(5) . .
Co1 O12 H12D 117.4 . .
Co3 O12 H12D 117.4 . .
Dy2 O12 H12D 117.4 . .
Co1 O13 Dy2 101.0(5) . .
Co1 O13 Dy2 101.0(5) . 4_565
Dy2 O13 Dy2 110.2(9) . 4_565
Co1 O13 H13A 114.4 . .
Dy2 O13 H13A 114.4 . .
Dy2 O13 H13A 114.4 4_565 .
Co3 O14 Dy1 101.8(5) . 4_565
Co3 O14 Dy1 101.8(5) . .
Dy1 O14 Dy1 116.8(7) 4_565 .
Co3 O14 H14A 111.8 . .
Dy1 O14 H14A 111.8 4_565 .
Dy1 O14 H14A 111.8 . .
C28 O15 Dy1 149(3) . .
C28 O15' Dy1 121(3) . .
C28 O16 Co4 137.3(17) . .
C28 O16 Dy4' 134.9(17) . .
Co4 O16 Dy4' 17.2(2) . .
C23 O21 Co4' 133(2) . .
C23 O21 Dy4 140(2) . .
Co4' O21 Dy4 15.0(3) . .
C23 O22 Dy3 154(2) . .
C45 O23 Dy3 139(3) . .
C41 O24 O24 54(3) . 4_565
C41 O24 Dy3 163(5) . .
O24 O24 Dy3 127.1(15) 4_565 .
C41 O24' Dy3 121(3) . .
C33 O25 Dy1 137.5(18) . .
C37 O26 Dy1 133(2) . .
C37 O26' Dy1 129.8(10) . 4_565
C37 O26' Dy1 129.8(11) . .
Dy1 O26' Dy1 94.6(7) 4_565 .
C69 O30 Dy2 89(3) . .
C69 O31 Dy2 100(3) . .
O31 C69 O30 116(4) . .
O31 C69 C70 129(4) . .
O30 C69 C70 115(3) . .
O31 C69 Dy2 53(3) . .
O30 C69 Dy2 63(2) . .
C70 C69 Dy2 174(2) . .
C73 C70 C72 106(3) . .
C73 C70 C71 106(2) . .
C72 C70 C71 106(2) . .
C73 C70 C69 113(2) . .
C72 C70 C69 113(2) . .
C71 C70 C69 113(2) . .
C70 C71 H71A 109.5 . .
C70 C71 H71B 109.5 . .
H71A C71 H71B 109.5 . .
C70 C71 H71C 109.5 . .
H71A C71 H71C 109.5 . .
H71B C71 H71C 109.5 . .
C70 C72 H72A 109.5 . .
C70 C72 H72B 109.5 . .
H72A C72 H72B 109.5 . .
C70 C72 H72C 109.5 . .
H72A C72 H72C 109.5 . .
H72B C72 H72C 109.5 . .
C70 C73 H73A 109.5 . .
C70 C73 H73B 109.5 . .
H73A C73 H73B 109.5 . .
C70 C73 H73C 109.5 . .
H73A C73 H73C 109.5 . .
H73B C73 H73C 109.5 . .
C5S N3S Dy2 90.3(15) . .
N3S C5S C6S 155(2) . 4_565
N3S C5S C6S 162.3(13) . .
C6S C5S C6S 7.6(19) 4_565 .
N3S C5S Dy2 68.2(14) . .
C6S C5S Dy2 136(2) 4_565 .
C6S C5S Dy2 129.5(8) . .
C6S C6S C5S 143.1(19) 4_565 4_565
C6S C6S C5S 29.3 4_565 .
C5S C6S C5S 113.8(19) 4_565 .
C6S C6S H6SA 78.0 4_565 .
C5S C6S H6SA 136.9 4_565 .
C5S C6S H6SA 106.2 . .
C6S C6S H6SB 100.1 4_565 .
C5S C6S H6SB 82.1 4_565 .
C5S C6S H6SB 99.0 . .
H6SA C6S H6SB 107.2 . .
C6S C6S H6SC 118.9 4_565 .
C5S C6S H6SC 48.8 4_565 .
C5S C6S H6SC 101.5 . .
H6SA C6S H6SC 109.1 . .
H6SB C6S H6SC 130.9 . .
C69' O30' Dy2 96(2) . .
C69' O31' Dy2 106(3) . .
O30' C69' O31' 105(4) . .
O30' C69' C70' 125(2) . .
O31' C69' C70' 124(2) . .
O30' C69' Dy2 58(2) . .
O31' C69' Dy2 49(2) . .
C70' C69' Dy2 170(2) . .
C71' C70' C73' 110.6(14) . .
C71' C70' C72' 110.4(13) . .
C73' C70' C72' 110.3(12) . .
C71' C70' C69' 108.7(13) . .
C73' C70' C69' 108.3(13) . .
C72' C70' C69' 108.5(14) . .
C70' C71' H71D 109.5 . .
C70' C71' H71E 109.5 . .
H71D C71' H71E 109.5 . .
C70' C71' H71F 109.5 . .
H71D C71' H71F 109.5 . .
H71E C71' H71F 109.5 . .
C70' C72' H72D 109.5 . .
C70' C72' H72E 109.5 . .
H72D C72' H72E 109.5 . .
C70' C72' H72F 109.5 . .
H72D C72' H72F 109.5 . .
H72E C72' H72F 109.5 . .
C70' C73' H73D 109.5 . .
C70' C73' H73E 109.5 . .
H73D C73' H73E 109.5 . .
C70' C73' H73F 109.5 . .
H73D C73' H73F 109.5 . .
H73E C73' H73F 109.5 . .
C5S' N3S' Dy2 138(5) . .
C6S' C5S' N3S' 156(5) 4_565 .
C6S' C5S' C6S' 10(2) 4_565 .
N3S' C5S' C6S' 146(4) . .
C6S' C6S' C5S' 151(3) 4_565 4_565
C6S' C6S' C5S' 19(2) 4_565 .
C5S' C6S' C5S' 131(5) 4_565 .
C6S' C6S' H6SE 116.9 4_565 .
C5S' C6S' H6SE 64.0 4_565 .
C5S' C6S' H6SE 113.4 . .
C6S' C6S' H6SF 128.8 4_565 .
C5S' C6S' H6SF 48.4 4_565 .
C5S' C6S' H6SF 120.8 . .
H6SE C6S' H6SF 110.6 . .
C6S' C6S' H6SD 72.7 4_565 .
C5S' C6S' H6SD 136.3 4_565 .
C5S' C6S' H6SD 92.0 . .
H6SE C6S' H6SD 109.0 . .
H6SF C6S' H6SD 109.0 . .
Co2 O33 Dy4 100.9(7) . .
Co2 O33 Dy4' 105.3(7) . .
Dy4 O33 Dy4' 83.7(5) . .
Co2 O33 Co4 95.8(7) . .
Dy4 O33 Co4 98.6(6) . .
Dy4' O33 Co4 16.4(2) . .
Co2 O33 Co4' 99.6(7) . .
Dy4 O33 Co4' 14.5(3) . .
Dy4' O33 Co4' 97.9(6) . .
Co4 O33 Co4' 113.1(7) . .
Co2 O33 H3D 119.0 . .
Dy4 O33 H3D 119.0 . .
Dy4' O33 H3D 122.1 . .
Co4 O33 H3D 119.0 . .
Co4' O33 H3D 108.5 . .
Co2 O1W H1WA 119.7 . .
Co2 O1W H1WB 120.1 . .
H1WA O1W H1WB 120.1 . .
Co2 O1W H1WD 111.3 . .
H1WA O1W H1WD 93.5 . .
H1WB O1W H1WD 67.1 . .
Co2 O1W' H1WA 100.3 . .
Co2 O1W' H1WC 119.5 . .
H1WA O1W' H1WC 83.6 . .
Co2 O1W' H1WD 120.4 . .
H1WA O1W' H1WD 84.2 . .
H1WC O1W' H1WD 120.2 . .
C3 C1 C2 113(2) . .
C3 C1 C4 109(2) . .
C2 C1 C4 110(2) . .
C3 C1 P2 108.8(17) . .
C2 C1 P2 108.8(18) . .
C4 C1 P2 106.8(17) . .
C1 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
C1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
C1 C3 H3A 109.5 . .
C1 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
C1 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C1 C4 H4A 109.5 . .
C1 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C1 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C8 C5 C7 111(2) . .
C8 C5 C6 111(2) . .
C7 C5 C6 107(2) . .
C8 C5 P1 110.0(16) . .
C7 C5 P1 109.4(17) . .
C6 C5 P1 108.5(17) . .
C5 C6 H6A 109.5 . .
C5 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C5 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C5 C7 H7A 109.5 . .
C5 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C5 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C5 C8 H8A 109.5 . .
C5 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C5 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C10 C9 C11 112(3) . .
C10 C9 C12 109(3) . .
C11 C9 C12 106(3) . .
C10 C9 P3 110(2) . .
C11 C9 P3 110(2) . .
C12 C9 P3 109(3) . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C9 C11 H11A 109.5 . .
C9 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C9 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C9 C12 H12A 109.5 . .
C9 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C9 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
O22 C23 O21 115(3) . .
O22 C23 C24 123(4) . .
O21 C23 C24 122(4) . .
C26 C24 C27 116(4) . .
C26 C24 C23 106(3) . .
C27 C24 C23 108(3) . .
C26 C24 C25 107(4) . .
C27 C24 C25 111(3) . .
C23 C24 C25 109(4) . .
C24 C25 H25A 109.5 . .
C24 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C24 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C24 C26 H26A 109.5 . .
C24 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C24 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C24 C27 H27A 109.5 . .
C24 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C24 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
O15 C28 O16 112(3) . .
O15 C28 O15' 41(2) . .
O16 C28 O15' 131(3) . .
O15 C28 C29 127(3) . .
O16 C28 C29 118(3) . .
O15' C28 C29 106(3) . .
C32 C29 C30 117(3) . .
C32 C29 C28 116(3) . .
C30 C29 C28 118(3) . .
C32 C29 C31 98(3) . .
C30 C29 C31 98(3) . .
C28 C29 C31 105(3) . .
C29 C30 H30A 109.5 . .
C29 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C29 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C29 C31 H31A 109.5 . .
C29 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C29 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C29 C32 H32A 109.5 . .
C29 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C29 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
O25 C33 O25 128(3) 4_565 .
O25 C33 C34 116.0(15) 4_565 .
O25 C33 C34 116.0(15) . .
C35 C34 C36 114(3) . 4_565
C35 C34 C36 114(3) . .
C36 C34 C36 98(4) 4_565 .
C35 C34 C33 111(3) . .
C36 C34 C33 110(2) 4_565 .
C36 C34 C33 110(2) . .
C34 C35 H35A 109.5 . .
C34 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C34 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C34 C36 H36A 109.5 . .
C34 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C34 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
O26' C37 O26 66.3(18) . .
O26' C37 O26 66.3(18) . 4_565
O26 C37 O26 132(3) . 4_565
O26' C37 C38 176(5) . .
O26 C37 C38 114.0(18) . .
O26 C37 C38 114.0(18) 4_565 .
C37 C38 C40 105(3) . .
C37 C38 C39 113(2) . .
C40 C38 C39 111(2) . .
C37 C38 C39 113(2) . 4_565
C40 C38 C39 111(2) . 4_565
C39 C38 C39 104(3) . 4_565
C38 C39 H39A 109.5 . .
C38 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C38 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
C38 C40 H40A 109.5 . .
C38 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C38 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
O24 C41 O24 71(6) 4_565 .
O24 C41 O24' 111(5) 4_565 .
O24 C41 O24' 40(2) . .
O24 C41 O24' 40(2) 4_565 4_565
O24 C41 O24' 111(5) . 4_565
O24' C41 O24' 150(5) . 4_565
O24 C41 C42 143(3) 4_565 .
O24 C41 C42 143(3) . .
O24' C41 C42 105(2) . .
O24' C41 C42 105(2) 4_565 .
C43 C42 C41 109(5) . .
C43 C42 C44 115(3) . 4_565
C41 C42 C44 113(3) . 4_565
C43 C42 C44 115(3) . .
C41 C42 C44 113(3) . .
C44 C42 C44 91(4) 4_565 .
C42 C43 H43A 109.5 . .
C42 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
C42 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
C42 C44 H44A 109.5 . .
C42 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
C42 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
O23 C45 O23 127(5) . 4_565
O23 C45 C46 116(2) . .
O23 C45 C46 116(2) 4_565 .
C47 C46 C47 113(4) . 4_565
C47 C46 C48 108(3) . .
C47 C46 C48 108(3) 4_565 .
C47 C46 C45 110(2) . .
C47 C46 C45 110(2) 4_565 .
C48 C46 C45 107(4) . .
C46 C47 H47A 109.5 . .
C46 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
C46 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
C46 C48 H48A 109.5 . .
C46 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C46 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
N1S C1S C2S 164(10) . .
C1S C2S H2SA 109.5 . .
C1S C2S H2SB 109.5 . .
H2SA C2S H2SB 109.5 . .
C1S C2S H2SC 109.5 . .
H2SA C2S H2SC 109.5 . .
H2SB C2S H2SC 109.5 . .
C3S N2S C3S 68(2) . 4_565
N2S C3S C3S 56.1(11) . 4_565
N2S C3S C4S 119.2(15) . .
C3S C3S C4S 63.4(5) 4_565 .
C3S C4S C3S 53.1(11) 4_565 .
C3S C4S H4SA 148.7 4_565 .
C3S C4S H4SA 110.9 . .
C3S C4S H4SB 61.5 4_565 .
C3S C4S H4SB 108.3 . .
H4SA C4S H4SB 109.5 . .
C3S C4S H4SC 101.7 4_565 .
C3S C4S H4SC 109.5 . .
H4SA C4S H4SC 109.3 . .
H4SB C4S H4SC 109.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O15 2.23(3) .
Dy1 O3' 2.24(3) .
Dy1 O26 2.27(3) .
Dy1 O25 2.296(15) .
Dy1 O14 2.332(9) .
Dy1 O3 2.34(3) .
Dy1 O15' 2.37(4) .
Dy1 O4 2.383(13) .
Dy1 O6 2.469(15) .
Dy1 O26' 2.702(16) .
Dy1 P1 3.063(6) .
Dy1 Co3 3.471(3) .
Dy2 O7 2.271(16) .
Dy2 O31' 2.26(3) .
Dy2 O31 2.29(4) .
Dy2 O5 2.293(15) .
Dy2 O11 2.335(12) .
Dy2 O13 2.338(13) .
Dy2 O12 2.391(12) .
Dy2 O30' 2.45(3) .
Dy2 O30 2.50(3) .
Dy2 N3S' 2.54(5) .
Dy2 N3S 2.64(3) .
Dy2 C69 2.81(5) .
Dy3 O24 2.16(4) .
Dy3 O22 2.18(2) .
Dy3 O1' 2.30(3) .
Dy3 O23 2.30(2) .
Dy3 O10 2.327(11) .
Dy3 O24' 2.33(4) .
Dy3 O1 2.39(3) .
Dy3 O8 2.395(17) .
Dy3 O9 2.50(2) .
Dy3 P3 3.065(8) .
Dy3 Co1 3.454(3) .
Dy3 Dy3 3.910(3) 4_565
Co1 O12 2.056(13) .
Co1 O12 2.056(13) 4_565
Co1 O10 2.09(2) .
Co1 O13 2.096(19) .
Co1 O8 2.113(17) 4_565
Co1 O8 2.113(17) .
Co1 Dy2 3.426(3) 4_565
Co1 Dy3 3.453(3) 4_565
Co2 O18' 1.96(5) .
Co2 O33 2.002(16) .
Co2 O19 2.00(4) .
Co2 O1W 2.03(5) .
Co2 O18 2.03(4) .
Co2 O19' 2.05(4) .
Co2 O1W' 2.06(5) .
Co2 C18 2.46(5) .
Co2 Dy4 3.230(6) .
Co2 Dy4' 3.353(5) .
Co3 O12 2.079(13) .
Co3 O12 2.079(13) 4_565
Co3 O11 2.091(18) .
Co3 O4 2.101(13) .
Co3 O4 2.101(13) 4_565
Co3 O14 2.140(18) .
Co3 Dy2 3.443(3) 4_565
Co3 Dy1 3.472(3) 4_565
Co4 O6 2.030(16) .
Co4 O17 2.06(4) .
Co4 O16 2.098(19) .
Co4 O2 2.19(3) .
Co4 O33 2.282(19) .
Co4 O28 2.29(3) .
Co4 Dy4 3.387(9) .
Dy4 O33 2.184(16) .
Dy4 O21 2.206(18) .
Dy4 O20 2.24(4) .
Dy4 O2 2.33(3) .
Dy4 O9 2.331(18) .
Dy4 O27 2.42(4) .
Dy4 O1 2.46(3) .
Dy4 O28 2.63(4) .
Dy4 C50 2.86(10) .
Dy4 P2 3.078(7) .
O1 P2 1.42(3) .
O2 P2 1.63(3) .
O3 P2 1.50(3) .
O17 C13 1.33(6) .
O18 C13 1.22(6) .
C13 C14 1.522(12) .
C14 C17 1.505(14) .
C14 C16 1.508(14) .
C14 C15 1.510(10) .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
O27 C50 1.19(7) .
O28 C50 1.25(9) .
C50 C51 1.55(12) .
C51 C53 1.47(4) .
C51 C52 1.47(4) .
C51 C54 1.47(4) .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
C52 H52C 0.9800 .
C53 H53A 0.9800 .
C53 H53B 0.9800 .
C53 H53C 0.9800 .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
O19 C18 1.10(7) .
O20 C18 1.35(7) .
C18 C19 1.518(12) .
C19 C22 1.515(16) .
C19 C21 1.516(16) .
C19 C20 1.516(12) .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
Dy4' O16 2.181(16) .
Dy4' O33 2.212(16) .
Dy4' O17' 2.28(4) .
Dy4' O6 2.295(14) .
Dy4' O2' 2.36(3) .
Dy4' O29' 2.38(3) .
Dy4' O3' 2.49(3) .
Dy4' O27' 2.65(3) .
Dy4' C50' 2.87(9) .
Dy4' P2 2.944(7) .
Dy4' Co4' 3.395(11) .
Co4' O9 1.87(2) .
Co4' O20' 2.01(4) .
Co4' O21 2.09(2) .
Co4' O2' 2.22(3) .
Co4' O33 2.29(2) .
Co4' O27' 2.33(4) .
O1' P2 1.66(3) .
O2' P2 1.45(3) .
O3' P2 1.47(3) .
O17' C13' 1.17(6) .
O18' C13' 1.27(7) .
C13' C14' 1.520(12) .
C14' C15' 1.61(4) .
C14' C16' 1.62(4) .
C14' C17' 1.62(4) .
C15' H15D 0.9800 .
C15' H15E 0.9800 .
C15' H15F 0.9800 .
C16' H16D 0.9800 .
C16' H16E 0.9800 .
C16' H16F 0.9800 .
C17' H17D 0.9800 .
C17' H17E 0.9800 .
C17' H17F 0.9800 .
O27' C50' 1.28(9) .
O29' C50' 1.27(6) .
C50' C51' 1.51(11) .
C51' C53' 1.51(4) .
C51' C54' 1.51(4) .
C51' C52' 1.51(4) .
C52' H52D 0.9800 .
C52' H52E 0.9800 .
C52' H52F 0.9800 .
C53' H53D 0.9800 .
C53' H53E 0.9800 .
C53' H53F 0.9800 .
C54' H54D 0.9800 .
C54' H54E 0.9800 .
C54' H54F 0.9800 .
O19' C18' 1.36(7) .
O20' C18' 1.16(6) .
C18' C19' 1.521(12) .
C19' C21' 1.521(16) .
C19' C20' 1.521(12) .
C19' C22' 1.522(16) .
C20' H20D 0.9800 .
C20' H20E 0.9800 .
C20' H20F 0.9800 .
C21' H21D 0.9800 .
C21' H21E 0.9800 .
C21' H21F 0.9800 .
C22' H22D 0.9800 .
C22' H22E 0.9800 .
C22' H22F 0.9800 .
P1 O5 1.498(16) .
P1 O6 1.535(15) .
P1 O4 1.543(15) .
P1 C5 1.82(2) .
P2 C1 1.83(2) .
P3 O7 1.508(19) .
P3 O8 1.53(2) .
P3 O9 1.548(18) .
P3 C9 1.83(3) .
O10 Dy3 2.326(11) 4_565
O10 H10D 1.0000 .
O11 Dy2 2.335(12) 4_565
O11 H11D 1.0000 .
O12 H12D 1.0000 .
O13 Dy2 2.338(13) 4_565
O13 H13A 1.0000 .
O14 Dy1 2.332(9) 4_565
O14 H14A 1.0000 .
O15 C28 1.18(4) .
O15' C28 1.36(5) .
O16 C28 1.25(3) .
O21 C23 1.26(4) .
O22 C23 1.24(4) .
O23 C45 1.21(3) .
O24 C41 1.12(4) .
O24 O24 1.30(11) 4_565
O24' C41 1.35(5) .
O25 C33 1.25(2) .
O26 C37 1.37(4) .
O26' C37 0.90(3) .
O26' Dy1 2.702(16) 4_565
O30 C69 1.33(6) .
O31 C69 1.28(6) .
C69 C70 1.53(7) .
C70 C73 1.48(2) .
C70 C72 1.48(2) .
C70 C71 1.49(2) .
C71 H71A 0.9800 .
C71 H71B 0.9800 .
C71 H71C 0.9800 .
C72 H72A 0.9800 .
C72 H72B 0.9800 .
C72 H72C 0.9800 .
C73 H73A 0.9800 .
C73 H73B 0.9800 .
C73 H73C 0.9800 .
N3S C5S 1.042(16) .
C5S C6S 1.42(6) 4_565
C5S C6S 1.7390 .
C6S C6S 0.38(8) 4_565
C6S C5S 1.42(6) 4_565
C6S H6SA 0.9548 .
C6S H6SB 0.8905 .
C6S H6SC 0.8290 .
O30' C69' 1.250(12) .
O31' C69' 1.261(12) .
C69' C70' 1.523(12) .
C70' C71' 1.516(13) .
C70' C73' 1.521(13) .
C70' C72' 1.521(10) .
C71' H71D 0.9800 .
C71' H71E 0.9800 .
C71' H71F 0.9800 .
C72' H72D 0.9800 .
C72' H72E 0.9800 .
C72' H72F 0.9800 .
C73' H73D 0.9800 .
C73' H73E 0.9800 .
C73' H73F 0.9800 .
N3S' C5S' 1.18(2) .
C5S' C6S' 1.07(7) 4_565
C5S' C6S' 1.58(2) .
C6S' C6S' 0.56(8) 4_565
C6S' C5S' 1.07(7) 4_565
C6S' H6SE 0.9427 .
C6S' H6SF 0.9597 .
C6S' H6SD 0.9619 .
O33 H3D 1.0000 .
O1W H1WA 0.8479 .
O1W H1WB 0.8471 .
O1W H1WD 1.0443 .
O1W' H1WA 1.1851 .
O1W' H1WC 0.8491 .
O1W' H1WD 0.8465 .
C1 C3 1.50(4) .
C1 C2 1.51(3) .
C1 C4 1.57(4) .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 C8 1.51(3) .
C5 C7 1.52(3) .
C5 C6 1.58(4) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 C10 1.47(4) .
C9 C11 1.53(5) .
C9 C12 1.53(5) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C23 C24 1.52(4) .
C24 C26 1.43(5) .
C24 C27 1.51(5) .
C24 C25 1.57(6) .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 C29 1.51(4) .
C29 C32 1.44(4) .
C29 C30 1.50(5) .
C29 C31 1.55(5) .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 O25 1.25(2) 4_565
C33 C34 1.63(4) .
C34 C35 1.37(5) .
C34 C36 1.49(4) 4_565
C34 C36 1.49(4) .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C37 O26 1.37(4) 4_565
C37 C38 1.40(4) .
C38 C40 1.51(5) .
C38 C39 1.61(3) .
C38 C39 1.61(3) 4_565
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
C41 O24 1.12(4) 4_565
C41 O24' 1.35(5) 4_565
C41 C42 1.44(5) .
C42 C43 1.40(7) .
C42 C44 1.47(4) 4_565
C42 C44 1.47(4) .
C43 H43A 0.9800 .
C43 H43B 0.9800 .
C43 H43C 0.9800 .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
C45 O23 1.21(3) 4_565
C45 C46 1.58(6) .
C46 C47 1.50(4) .
C46 C47 1.50(4) 4_565
C46 C48 1.51(6) .
C47 H47A 0.9800 .
C47 H47B 0.9800 .
C47 H47C 0.9800 .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
N1S C1S 1.16(2) .
C1S C2S 1.52(2) .
C2S H2SA 0.9800 .
C2S H2SB 0.9800 .
C2S H2SC 0.9800 .
N2S C3S 1.262(18) .
N2S C3S 1.262(18) 4_565
C3S C3S 1.41(4) 4_565
C3S C4S 1.57(2) .
C4S C3S 1.57(2) 4_565
C4S H4SA 0.9610 .
C4S H4SB 0.9588 .
C4S H4SC 0.9575 .
