#------------------------------------------------------------------------------
#$Date: 2019-11-17 10:57:28 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229460 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/49/7044984.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_7044984
loop_
_publ_author_name
'Rasamsetty, Amaleswari'
'Das, Chinmoy'
'Sañudo, E Carolina'
'Shanmugam, Maheswaran'
'Baskar, Viswanathan'
_publ_section_title
;
 Effect of coordination geometry on the magnetic properties of a series of
 Ln₂ and Ln₄ hydroxo clusters.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1726
_journal_page_last               1738
_journal_paper_doi               10.1039/c7dt00172j
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C92 H116 Dy4 O32'
_chemical_formula_sum            'C92 H116 Dy4 O32'
_chemical_formula_weight         2383.84
_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yac'
_space_group_name_H-M_alt        'P 1 2/n 1'
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-12-17 deposited with the CCDC.
2017-12-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.308(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.136(5)
_cell_length_b                   14.190(3)
_cell_length_c                   27.383(5)
_cell_measurement_reflns_used    9402
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.07
_cell_measurement_theta_min      2.21
_cell_volume                     9577(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0391
_diffrn_reflns_av_unetI/netI     0.0282
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            90520
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         1.226
_exptl_absorpt_coefficient_mu    3.165
_exptl_absorpt_correction_T_max  0.6657
_exptl_absorpt_correction_T_min  0.5997
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.653
_exptl_crystal_description       block
_exptl_crystal_F_000             4752
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         3.011
_refine_diff_density_min         -1.589
_refine_diff_density_rms         0.122
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1177
_refine_ls_number_reflns         16853
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0398
_refine_ls_R_factor_gt           0.0360
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0335P)²+48.2589P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0849
_refine_ls_wR_factor_ref         0.0869
_reflns_Friedel_coverage         0.000
_reflns_number_gt                15447
_reflns_number_total             16853
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt00172j2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7044982--7044987.cif.'
_cod_database_code               7044984
_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   0.450
_shelx_estimated_absorpt_t_max   0.743
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Dy2 Dy 0.71600(2) 1.00454(2) 0.80502(2) 0.01693(6) Uani 1 1 d . .
Dy1 Dy 0.81803(2) 0.80908(2) 0.79307(2) 0.01646(6) Uani 1 1 d . .
Dy4 Dy 0.80542(2) 0.40337(2) 0.21359(2) 0.02491(7) Uani 1 1 d . .
O11 O 0.79956(12) 0.9725(2) 0.78200(12) 0.0180(7) Uani 1 1 d . .
O10 O 0.72481(12) 0.8404(2) 0.79028(12) 0.0182(7) Uani 1 1 d . .
C19 C 0.90590(19) 0.9059(3) 0.73229(19) 0.0230(11) Uani 1 1 d . .
O24 O 0.79111(13) 0.5694(3) 0.22357(12) 0.0247(8) Uani 1 1 d . .
O15 O 0.67408(14) 1.1337(2) 0.75690(12) 0.0241(8) Uani 1 1 d . .
C24 C 0.7985(2) 0.9048(3) 0.90073(18) 0.0222(10) Uani 1 1 d . .
O25 O 0.71120(13) 0.4375(3) 0.20686(13) 0.0258(8) Uani 1 1 d . .
O8 O 0.82730(14) 0.8604(2) 0.87517(12) 0.0241(7) Uani 1 1 d . .
O14 O 0.67514(14) 1.1020(2) 0.85741(12) 0.0234(7) Uani 1 1 d . .
O6 O 0.87156(13) 0.9493(2) 0.70114(12) 0.0240(8) Uani 1 1 d . .
O23 O 0.67809(14) 0.7424(3) 0.23855(13) 0.0307(8) Uani 1 1 d . .
O3 O 0.77470(13) 0.6772(2) 0.82086(12) 0.0211(7) Uani 1 1 d . .
C53 C 0.8088(2) 0.8186(4) 0.13123(19) 0.0335(13) Uani 1 1 d . .
O5 O 0.89628(13) 0.8666(2) 0.77115(13) 0.0240(8) Uani 1 1 d . .
O4 O 0.69903(14) 0.7155(2) 0.88020(13) 0.0269(8) Uani 1 1 d . .
C7 C 0.6080(2) 1.2393(4) 0.71482(19) 0.0273(11) Uani 1 1 d . .
O28 O 0.89206(14) 0.4531(3) 0.24731(14) 0.0305(8) Uani 1 1 d . .
O31 O 0.75029(15) 0.2730(3) 0.18228(14) 0.0328(9) Uani 1 1 d . .
O12 O 0.77951(14) 1.1395(2) 0.82267(13) 0.0238(7) Uani 1 1 d . .
C57 C 0.6178(2) 0.7414(5) 0.0452(2) 0.0402(16) Uani 1 1 d . .
O22 O 0.79182(15) 0.4605(3) 0.13432(13) 0.0315(9) Uani 1 1 d . .
O2 O 0.88532(13) 0.7125(2) 0.83978(12) 0.0221(7) Uani 1 1 d . .
O27 O 0.89093(14) 0.5529(3) 0.31003(13) 0.0307(8) Uani 1 1 d . .
O7 O 0.82572(14) 0.6747(2) 0.73640(12) 0.0244(8) Uani 1 1 d . .
O9 O 0.75594(14) 0.9493(2) 0.88230(12) 0.0248(8) Uani 1 1 d . .
O16 O 0.59336(15) 1.0954(3) 0.67089(14) 0.0309(8) Uani 1 1 d . .
C77 C 0.5974(3) 0.1772(5) 0.1045(2) 0.0447(16) Uani 1 1 d . .
H77 H 0.5656 0.2124 0.0968 0.054 Uiso 1 1 calc R U
C34 C 1.0337(2) 0.5876(4) 0.9024(2) 0.0387(14) Uani 1 1 d . .
H34 H 1.0605 0.5731 0.8846 0.046 Uiso 1 1 calc R U
C30 C 0.9269(3) 0.6726(5) 1.0325(2) 0.0508(17) Uani 1 1 d . .
H30A H 0.9411 0.6171 1.0505 0.076 Uiso 1 1 calc R U
H30B H 0.8953 0.6937 1.0442 0.076 Uiso 1 1 calc R U
H30C H 0.9540 0.7213 1.0378 0.076 Uiso 1 1 calc R U
O18 O 0.64762(15) 0.6952(3) 0.12835(13) 0.0331(9) Uani 1 1 d . .
C12 C 0.6469(3) 1.1966(4) 0.9379(2) 0.0370(14) Uani 1 1 d . .
H12 H 0.6838 1.1879 0.9392 0.044 Uiso 1 1 calc R U
C76 C 0.6469(2) 0.2225(4) 0.1145(2) 0.0381(14) Uani 1 1 d . .
O1 O 0.91266(17) 0.6513(3) 0.98067(14) 0.0405(10) Uani 1 1 d . .
C52 C 0.8103(3) 0.9131(4) 0.1179(2) 0.0421(15) Uani 1 1 d . .
H52 H 0.7781 0.9460 0.1078 0.051 Uiso 1 1 calc R U
C51 C 0.8597(3) 0.9589(5) 0.1197(2) 0.0517(18) Uani 1 1 d . .
H51 H 0.8606 1.0224 0.1113 0.062 Uiso 1 1 calc R U
C5 C 0.5852(3) 1.3874(5) 0.6729(2) 0.0491(17) Uani 1 1 d . .
H5 H 0.5837 1.4529 0.6741 0.059 Uiso 1 1 calc R U
O30 O 0.85543(15) 0.3050(3) 0.16746(14) 0.0336(9) Uani 1 1 d . .
C62 C 0.6062(3) 0.8159(5) 0.0122(2) 0.0503(18) Uani 1 1 d . .
C18 C 0.7679(2) 1.2338(4) 0.8370(2) 0.0350(13) Uani 1 1 d . .
H18A H 0.7437 1.2638 0.8099 0.052 Uiso 1 1 calc R U
H18B H 0.8011 1.2691 0.8448 0.052 Uiso 1 1 calc R U
H18C H 0.7513 1.2314 0.8656 0.052 Uiso 1 1 calc R U
O19 O 0.75414(14) 0.7263(3) 0.17304(12) 0.0282(8) Uani 1 1 d . .
C59 C 0.5525(3) 0.6462(7) -0.0104(3) 0.064(2) Uani 1 1 d . .
H59 H 0.5349 0.5889 -0.0182 0.077 Uiso 1 1 calc R U
O26 O 0.83190(16) 0.2673(3) 0.26905(14) 0.0356(9) Uani 1 1 d . .
C84 C 0.8409(2) 0.2478(4) 0.1305(2) 0.0341(13) Uani 1 1 d . .
C61 C 0.5664(3) 0.8057(7) -0.0317(2) 0.058(2) Uani 1 1 d . .
H61 H 0.5570 0.8565 -0.0531 0.070 Uiso 1 1 calc R U
C14 C 0.5737(4) 1.2362(6) 0.9774(3) 0.065(2) Uani 1 1 d . .
H14 H 0.5613 1.2560 1.0056 0.078 Uiso 1 1 calc R U
C13 C 0.6285(3) 1.2255(5) 0.9805(2) 0.0538(18) Uani 1 1 d . .
H13 H 0.6528 1.2372 1.0101 0.065 Uiso 1 1 calc R U
C9 C 0.6109(2) 1.1944(4) 0.8026(2) 0.0279(12) Uani 1 1 d . .
H9 H 0.5793 1.2296 0.8002 0.033 Uiso 1 1 calc R U
C65 C 0.7555(2) 0.5029(4) 0.1040(2) 0.0299(12) Uani 1 1 d . .
C38 C 0.8394(2) 0.6124(3) 0.88692(18) 0.0223(10) Uani 1 1 d . .
H38 H 0.8439 0.5736 0.9148 0.027 Uiso 1 1 calc R U
C45 C 0.6959(2) 0.6191(4) 0.88234(18) 0.0232(11) Uani 1 1 d . .
C83 C 0.7886(2) 0.2081(4) 0.1160(2) 0.0359(13) Uani 1 1 d . .
H83 H 0.7813 0.1718 0.0872 0.043 Uiso 1 1 calc R U
C4 C 0.5684(3) 1.3408(5) 0.6286(2) 0.0467(16) Uani 1 1 d . .
H4 H 0.5557 1.3751 0.5997 0.056 Uiso 1 1 calc R U
O32 O 0.65453(16) 0.3179(3) 0.11297(17) 0.0441(10) Uani 1 1 d . .
O13 O 0.52036(16) 1.1719(3) 0.84939(18) 0.0486(11) Uani 1 1 d . .
C2 C 0.5900(2) 1.1916(4) 0.66925(19) 0.0270(11) Uani 1 1 d . .
C8 C 0.6327(2) 1.1846(4) 0.76039(19) 0.0254(11) Uani 1 1 d . .
C37 C 0.8857(2) 0.6558(3) 0.87540(18) 0.0220(10) Uani 1 1 d . .
C73 C 0.9971(3) 0.4406(7) 0.3362(3) 0.070(2) Uani 1 1 d . .
H73A H 1.0359 0.4355 0.3415 0.105 Uiso 1 1 calc R U
H73B H 0.9811 0.3796 0.3286 0.105 Uiso 1 1 calc R U
H73C H 0.9868 0.4646 0.3658 0.105 Uiso 1 1 calc R U
C60 C 0.5421(3) 0.7207(8) -0.0422(3) 0.065(2) Uani 1 1 d . .
H60 H 0.5175 0.7130 -0.0721 0.078 Uiso 1 1 calc R U
C40 C 0.7412(2) 0.5700(4) 0.87303(17) 0.0217(10) Uani 1 1 d . .
C39 C 0.7877(2) 0.6238(3) 0.85940(18) 0.0208(10) Uani 1 1 d . .
C63 C 0.6252(5) 0.9776(7) -0.0078(3) 0.096(4) Uani 1 1 d . .
H63A H 0.6290 0.9598 -0.0408 0.144 Uiso 1 1 calc R U
H63B H 0.6511 1.0259 0.0046 0.144 Uiso 1 1 calc R U
H63C H 0.5892 1.0009 -0.0087 0.144 Uiso 1 1 calc R U
C74 C 0.9983(3) 0.6041(5) 0.3052(3) 0.064(2) Uani 1 1 d . .
H74A H 0.9903 0.6239 0.3365 0.096 Uiso 1 1 calc R U
H74B H 0.9810 0.6460 0.2793 0.096 Uiso 1 1 calc R U
H74C H 1.0368 0.6054 0.3070 0.096 Uiso 1 1 calc R U
C43 C 0.6522(2) 0.4732(4) 0.8938(2) 0.0321(13) Uani 1 1 d . .
H43 H 0.6224 0.4408 0.9005 0.039 Uiso 1 1 calc R U
C44 C 0.6520(2) 0.5708(4) 0.89328(18) 0.0260(11) Uani 1 1 d . .
H44 H 0.6224 0.6037 0.9003 0.031 Uiso 1 1 calc R U
C1 C 0.5809(3) 1.0460(5) 0.6250(2) 0.0467(16) Uani 1 1 d . .
H1A H 0.5433 1.0550 0.6103 0.070 Uiso 1 1 calc R U
H1B H 0.5879 0.9800 0.6308 0.070 Uiso 1 1 calc R U
H1C H 0.6030 1.0695 0.6028 0.070 Uiso 1 1 calc R U
C56 C 0.6602(2) 0.7416(4) 0.0930(2) 0.0353(14) Uani 1 1 d . .
C11 C 0.6103(2) 1.1807(4) 0.8938(2) 0.0283(12) Uani 1 1 d . .
C20 C 0.9641(2) 0.8990(4) 0.7237(2) 0.0294(12) Uani 1 1 d . .
C36 C 0.9406(2) 0.6304(3) 0.90459(19) 0.0252(11) Uani 1 1 d . .
C35 C 0.9812(2) 0.6108(4) 0.8780(2) 0.0305(12) Uani 1 1 d . .
H35 H 0.9732 0.6131 0.8434 0.037 Uiso 1 1 calc R U
C3 C 0.5702(2) 1.2434(4) 0.6263(2) 0.0365(14) Uani 1 1 d . .
H3 H 0.5581 1.2127 0.5962 0.044 Uiso 1 1 calc R U
C46 C 0.6560(2) 0.7683(4) 0.8939(2) 0.0393(14) Uani 1 1 d . .
H46A H 0.6225 0.7531 0.8719 0.059 Uiso 1 1 calc R U
H46B H 0.6633 0.8344 0.8917 0.059 Uiso 1 1 calc R U
H46C H 0.6533 0.7529 0.9275 0.059 Uiso 1 1 calc R U
C41 C 0.7407(2) 0.4726(4) 0.8743(2) 0.0305(12) Uani 1 1 d . .
H41 H 0.7706 0.4392 0.8683 0.037 Uiso 1 1 calc R U
O17 O 0.6348(2) 0.8966(4) 0.02452(18) 0.0680(16) Uani 1 1 d . .
C70 C 0.9152(2) 0.5036(4) 0.2825(2) 0.0303(12) Uani 1 1 d . .
C25 C 0.8154(2) 0.9024(4) 0.95743(19) 0.0286(12) Uani 1 1 d . .
C82 C 0.7477(2) 0.2204(4) 0.1426(2) 0.0335(13) Uani 1 1 d . .
C55 C 0.7108(2) 0.7847(4) 0.0943(2) 0.0365(14) Uani 1 1 d . .
H55 H 0.7148 0.8226 0.0675 0.044 Uiso 1 1 calc R U
C10 C 0.6338(2) 1.1541(4) 0.84928(19) 0.0256(11) Uani 1 1 d . .
C67 C 0.7594(2) 0.4997(4) 0.0490(2) 0.0334(13) Uani 1 1 d . .
C42 C 0.6962(2) 0.4240(4) 0.8843(2) 0.0349(13) Uani 1 1 d . .
H42 H 0.6962 0.3584 0.8846 0.042 Uiso 1 1 calc R U
C31 C 0.9530(2) 0.6290(4) 0.9566(2) 0.0325(13) Uani 1 1 d . .
C58 C 0.5895(2) 0.6577(5) 0.0334(2) 0.0450(16) Uani 1 1 d . .
H58 H 0.5959 0.6078 0.0558 0.054 Uiso 1 1 calc R U
C17 C 0.4635(3) 1.1678(6) 0.8486(4) 0.069(2) Uani 1 1 d . .
H17A H 0.4570 1.1287 0.8754 0.104 Uiso 1 1 calc R U
H17B H 0.4452 1.1419 0.8175 0.104 Uiso 1 1 calc R U
H17C H 0.4501 1.2302 0.8525 0.104 Uiso 1 1 calc R U
C16 C 0.5546(3) 1.1916(4) 0.8922(2) 0.0387(15) Uani 1 1 d . .
C68 C 0.7385(3) 0.5902(5) 0.0223(2) 0.0488(17) Uani 1 1 d . .
H68A H 0.7609 0.6421 0.0365 0.073 Uiso 1 1 calc R U
H68B H 0.7018 0.6011 0.0260 0.073 Uiso 1 1 calc R U
H68C H 0.7397 0.5848 -0.0124 0.073 Uiso 1 1 calc R U
C92 C 0.8477(3) 0.1726(5) 0.2566(3) 0.0476(16) Uani 1 1 d . .
H92A H 0.8172 0.1413 0.2367 0.071 Uiso 1 1 calc R U
H92B H 0.8599 0.1375 0.2867 0.071 Uiso 1 1 calc R U
H92C H 0.8766 0.1767 0.2384 0.071 Uiso 1 1 calc R U
C21 C 0.9671(2) 0.9272(5) 0.6706(2) 0.0410(15) Uani 1 1 d . .
H21A H 0.9433 0.8878 0.6475 0.061 Uiso 1 1 calc R U
H21B H 1.0037 0.9198 0.6657 0.061 Uiso 1 1 calc R U
H21C H 0.9563 0.9919 0.6652 0.061 Uiso 1 1 calc R U
C80 C 0.6908(3) 0.0735(5) 0.1287(2) 0.0428(15) Uani 1 1 d . .
H80 H 0.7224 0.0380 0.1370 0.051 Uiso 1 1 calc R U
C23 C 0.9836(2) 0.7978(4) 0.7333(3) 0.0418(15) Uani 1 1 d . .
H23A H 0.9815 0.7803 0.7667 0.063 Uiso 1 1 calc R U
H23B H 1.0205 0.7929 0.7290 0.063 Uiso 1 1 calc R U
H23C H 0.9612 0.7565 0.7102 0.063 Uiso 1 1 calc R U
C26 C 0.7924(4) 0.9876(5) 0.9795(2) 0.074(3) Uani 1 1 d . .
H26A H 0.7538 0.9889 0.9685 0.111 Uiso 1 1 calc R U
H26B H 0.8079 1.0439 0.9687 0.111 Uiso 1 1 calc R U
H26C H 0.8011 0.9839 1.0151 0.111 Uiso 1 1 calc R U
C71 C 0.9776(2) 0.5062(5) 0.2938(3) 0.0443(16) Uani 1 1 d . .
C29 C 0.8452(3) 0.5814(4) 0.7493(2) 0.0358(14) Uani 1 1 d . .
H29A H 0.8808 0.5847 0.7698 0.054 Uiso 1 1 calc R U
H29B H 0.8468 0.5467 0.7195 0.054 Uiso 1 1 calc R U
H29C H 0.8211 0.5502 0.7673 0.054 Uiso 1 1 calc R U
C72 C 0.9999(3) 0.4696(5) 0.2479(3) 0.0554(19) Uani 1 1 d . .
H72A H 0.9882 0.5108 0.2200 0.083 Uiso 1 1 calc R U
H72B H 0.9865 0.4071 0.2395 0.083 Uiso 1 1 calc R U
H72C H 1.0389 0.4684 0.2559 0.083 Uiso 1 1 calc R U
C33 C 1.0446(2) 0.5869(4) 0.9537(2) 0.0408(15) Uani 1 1 d . .
H33 H 1.0794 0.5717 0.9704 0.049 Uiso 1 1 calc R U
C32 C 1.0061(2) 0.6077(4) 0.9811(2) 0.0402(14) Uani 1 1 d . .
H32 H 1.0150 0.6078 1.0157 0.048 Uiso 1 1 calc R U
C28 C 0.7928(3) 0.8135(5) 0.9760(2) 0.0433(15) Uani 1 1 d . .
H28A H 0.8038 0.8099 1.0115 0.065 Uiso 1 1 calc R U
H28B H 0.8064 0.7597 0.9611 0.065 Uiso 1 1 calc R U
H28C H 0.7539 0.8146 0.9671 0.065 Uiso 1 1 calc R U
C79 C 0.6406(3) 0.0269(5) 0.1181(3) 0.0482(16) Uani 1 1 d . .
H79 H 0.6385 -0.0384 0.1195 0.058 Uiso 1 1 calc R U
C54 C 0.7551(2) 0.7742(4) 0.1331(2) 0.0314(12) Uani 1 1 d . .
C81 C 0.6947(2) 0.1690(4) 0.1271(2) 0.0350(13) Uani 1 1 d . .
O21 O 0.71563(15) 0.5440(3) 0.11594(13) 0.0302(8) Uani 1 1 d . .
O20 O 0.85406(16) 0.6753(3) 0.15303(16) 0.0415(10) Uani 1 1 d . .
O29 O 0.82795(18) 0.2325(3) 0.02420(15) 0.0466(11) Uani 1 1 d . .
C48 C 0.8576(2) 0.7690(4) 0.1442(2) 0.0350(13) Uani 1 1 d . .
C85 C 0.8839(2) 0.2166(4) 0.1033(2) 0.0366(13) Uani 1 1 d . .
C86 C 0.9350(3) 0.1971(4) 0.1319(2) 0.0404(14) Uani 1 1 d . .
H86 H 0.9409 0.2058 0.1662 0.049 Uiso 1 1 calc R U
C90 C 0.8767(3) 0.2072(4) 0.0520(2) 0.0410(14) Uani 1 1 d . .
C49 C 0.9067(3) 0.8161(5) 0.1457(2) 0.0451(16) Uani 1 1 d . .
H49 H 0.9393 0.7837 0.1549 0.054 Uiso 1 1 calc R U
C47 C 0.9032(3) 0.6230(5) 0.1648(3) 0.0526(18) Uani 1 1 d . .
H47A H 0.9229 0.6294 0.1383 0.079 Uiso 1 1 calc R U
H47B H 0.8950 0.5577 0.1689 0.079 Uiso 1 1 calc R U
H47C H 0.9248 0.6465 0.1952 0.079 Uiso 1 1 calc R U
C50 C 0.9071(3) 0.9095(5) 0.1339(2) 0.0512(18) Uani 1 1 d . .
H50 H 0.9401 0.9401 0.1355 0.061 Uiso 1 1 calc R U
C64 C 0.6718(3) 0.8381(4) 0.2226(2) 0.0430(15) Uani 1 1 d . .
H64A H 0.7068 0.8647 0.2219 0.065 Uiso 1 1 calc R U
H64B H 0.6549 0.8733 0.2453 0.065 Uiso 1 1 calc R U
H64C H 0.6496 0.8408 0.1899 0.065 Uiso 1 1 calc R U
C87 C 0.9779(3) 0.1645(5) 0.1101(3) 0.0483(17) Uani 1 1 d . .
H87 H 1.0115 0.1511 0.1300 0.058 Uiso 1 1 calc R U
C89 C 0.9196(3) 0.1744(5) 0.0308(3) 0.0512(18) Uani 1 1 d . .
H89 H 0.9143 0.1671 -0.0036 0.061 Uiso 1 1 calc R U
C88 C 0.9699(3) 0.1527(5) 0.0598(3) 0.0536(19) Uani 1 1 d . .
H88 H 0.9978 0.1304 0.0451 0.064 Uiso 1 1 calc R U
C91 C 0.8251(3) 0.2528(6) -0.0273(2) 0.0557(19) Uani 1 1 d . .
H91A H 0.8530 0.2970 -0.0307 0.083 Uiso 1 1 calc R U
H91B H 0.7902 0.2793 -0.0411 0.083 Uiso 1 1 calc R U
H91C H 0.8301 0.1957 -0.0447 0.083 Uiso 1 1 calc R U
C22 C 0.9982(2) 0.9666(5) 0.7603(2) 0.0396(14) Uani 1 1 d . .
H22A H 0.9848 1.0297 0.7539 0.059 Uiso 1 1 calc R U
H22B H 1.0353 0.9638 0.7564 0.059 Uiso 1 1 calc R U
H22C H 0.9961 0.9490 0.7937 0.059 Uiso 1 1 calc R U
C27 C 0.8772(3) 0.9006(5) 0.9733(2) 0.0442(16) Uani 1 1 d . .
H27A H 0.8921 0.9567 0.9618 0.066 Uiso 1 1 calc R U
H27B H 0.8913 0.8464 0.9591 0.066 Uiso 1 1 calc R U
H27C H 0.8870 0.8975 1.0090 0.066 Uiso 1 1 calc R U
C6 C 0.6045(3) 1.3358(4) 0.7157(2) 0.0377(14) Uani 1 1 d . .
H6 H 0.6153 1.3673 0.7458 0.045 Uiso 1 1 calc R U
C66 C 0.7225(3) 0.4173(5) 0.0256(2) 0.0494(17) Uani 1 1 d . .
H66A H 0.7244 0.4112 -0.0089 0.074 Uiso 1 1 calc R U
H66B H 0.6858 0.4298 0.0286 0.074 Uiso 1 1 calc R U
H66C H 0.7346 0.3598 0.0428 0.074 Uiso 1 1 calc R U
C78 C 0.5946(3) 0.0809(5) 0.1057(2) 0.0467(16) Uani 1 1 d . .
H78 H 0.5609 0.0515 0.0979 0.056 Uiso 1 1 calc R U
C15 C 0.5367(3) 1.2193(5) 0.9352(3) 0.0524(18) Uani 1 1 d . .
H15 H 0.4998 1.2260 0.9349 0.063 Uiso 1 1 calc R U
C75 C 0.6080(3) 0.3762(6) 0.1022(3) 0.066(2) Uani 1 1 d . .
H75A H 0.5872 0.3604 0.0699 0.099 Uiso 1 1 calc R U
H75B H 0.6190 0.4410 0.1024 0.099 Uiso 1 1 calc R U
H75C H 0.5862 0.3668 0.1269 0.099 Uiso 1 1 calc R U
Dy3 Dy 0.69793(2) 0.60106(2) 0.19113(2) 0.02369(7) Uani 1 1 d . .
C69 C 0.8164(3) 0.4795(6) 0.0433(2) 0.0503(17) Uani 1 1 d . .
H69A H 0.8396 0.5304 0.0573 0.075 Uiso 1 1 calc R U
H69B H 0.8174 0.4731 0.0086 0.075 Uiso 1 1 calc R U
H69C H 0.8286 0.4220 0.0604 0.075 Uiso 1 1 calc R U
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'
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
O9 Dy2 O6 100.93(12) . 2_656
O9 Dy2 O11 85.92(11) . .
O6 Dy2 O11 143.36(11) 2_656 .
O9 Dy2 O14 78.70(12) . .
O6 Dy2 O14 73.87(12) 2_656 .
O11 Dy2 O14 142.33(11) . .
O9 Dy2 O15 147.14(12) . .
O6 Dy2 O15 84.76(12) 2_656 .
O11 Dy2 O15 108.80(11) . .
O14 Dy2 O15 71.82(11) . .
O9 Dy2 O11 144.44(11) . 2_656
O6 Dy2 O11 83.97(11) 2_656 2_656
O11 Dy2 O11 71.04(12) . 2_656
O14 Dy2 O11 135.43(11) . 2_656
O15 Dy2 O11 67.98(11) . 2_656
O9 Dy2 O10 77.50(12) . .
O6 Dy2 O10 77.00(11) 2_656 .
O11 Dy2 O10 69.38(11) . .
O14 Dy2 O10 137.73(11) . .
O15 Dy2 O10 134.85(11) . .
O11 Dy2 O10 69.27(11) 2_656 .
O9 Dy2 O12 86.31(12) . .
O6 Dy2 O12 147.53(11) 2_656 .
O11 Dy2 O12 68.10(11) . .
O14 Dy2 O12 76.70(11) . .
O15 Dy2 O12 73.22(12) . .
O11 Dy2 O12 108.41(11) 2_656 .
O10 Dy2 O12 135.29(11) . .
O9 Dy2 Dy2 123.76(9) . 2_656
O6 Dy2 Dy2 121.32(8) 2_656 2_656
O11 Dy2 Dy2 38.00(8) . 2_656
O14 Dy2 Dy2 143.95(8) . 2_656
O15 Dy2 Dy2 77.10(8) . 2_656
O11 Dy2 Dy2 37.46(7) 2_656 2_656
O10 Dy2 Dy2 77.95(8) . 2_656
O12 Dy2 Dy2 77.22(8) . 2_656
O9 Dy2 Dy1 69.67(8) . .
O6 Dy2 Dy1 113.07(9) 2_656 .
O11 Dy2 Dy1 35.91(8) . .
O14 Dy2 Dy1 148.33(8) . .
O15 Dy2 Dy1 137.80(8) . .
O11 Dy2 Dy1 75.98(8) 2_656 .
O10 Dy2 Dy1 36.12(7) . .
O12 Dy2 Dy1 99.17(8) . .
Dy2 Dy2 Dy1 60.849(8) 2_656 .
O9 Dy2 Dy1 113.29(9) . 2_656
O6 Dy2 Dy1 68.02(8) 2_656 2_656
O11 Dy2 Dy1 76.17(8) . 2_656
O14 Dy2 Dy1 141.49(8) . 2_656
O15 Dy2 Dy1 98.93(8) . 2_656
O11 Dy2 Dy1 36.06(8) 2_656 2_656
O10 Dy2 Dy1 35.93(7) . 2_656
O12 Dy2 Dy1 137.82(8) . 2_656
Dy2 Dy2 Dy1 60.740(10) 2_656 2_656
Dy1 Dy2 Dy1 58.587(11) . 2_656
O5 Dy1 O8 102.17(12) . .
O5 Dy1 O2 77.84(12) . .
O8 Dy1 O2 74.47(12) . .
O5 Dy1 O3 146.18(12) . .
O8 Dy1 O3 84.37(12) . .
O2 Dy1 O3 72.01(11) . .
O5 Dy1 O10 86.15(11) . 2_656
O8 Dy1 O10 144.29(11) . 2_656
O2 Dy1 O10 140.96(11) . 2_656
O3 Dy1 O10 107.92(11) . 2_656
O5 Dy1 O10 144.11(12) . .
O8 Dy1 O10 83.33(11) . .
O2 Dy1 O10 136.70(11) . .
O3 Dy1 O10 69.15(11) . .
O10 Dy1 O10 70.96(13) 2_656 .
O5 Dy1 O11 77.14(11) . .
O8 Dy1 O11 78.36(11) . .
O2 Dy1 O11 137.85(11) . .
O3 Dy1 O11 136.35(11) . .
O10 Dy1 O11 69.67(11) 2_656 .
O10 Dy1 O11 69.22(11) . .
O5 Dy1 O7 86.23(12) . .
O8 Dy1 O7 146.62(11) . .
O2 Dy1 O7 75.94(11) . .
O3 Dy1 O7 72.04(11) . .
O10 Dy1 O7 67.60(11) 2_656 .
O10 Dy1 O7 108.69(11) . .
O11 Dy1 O7 134.90(11) . .
O5 Dy1 Dy1 123.55(8) . 2_656
O8 Dy1 Dy1 120.83(8) . 2_656
O2 Dy1 Dy1 144.22(8) . 2_656
O3 Dy1 Dy1 77.40(8) . 2_656
O10 Dy1 Dy1 37.63(7) 2_656 2_656
O10 Dy1 Dy1 37.55(8) . 2_656
O11 Dy1 Dy1 77.78(7) . 2_656
O7 Dy1 Dy1 77.34(8) . 2_656
O5 Dy1 Dy2 112.57(9) . .
O8 Dy1 Dy2 68.53(8) . .
O2 Dy1 Dy2 142.86(8) . .
O3 Dy1 Dy2 100.77(8) . .
O10 Dy1 Dy2 76.17(8) 2_656 .
O10 Dy1 Dy2 36.30(8) . .
O11 Dy1 Dy2 35.57(7) . .
O7 Dy1 Dy2 137.90(8) . .
Dy1 Dy1 Dy2 60.760(10) 2_656 .
O5 Dy1 Dy2 69.39(8) . 2_656
O8 Dy1 Dy2 114.56(9) . 2_656
O2 Dy1 Dy2 147.11(8) . 2_656
O3 Dy1 Dy2 138.02(8) . 2_656
O10 Dy1 Dy2 36.18(8) 2_656 2_656
O10 Dy1 Dy2 76.05(8) . 2_656
O11 Dy1 Dy2 36.22(8) . 2_656
O7 Dy1 Dy2 98.68(8) . 2_656
Dy1 Dy1 Dy2 60.652(8) 2_656 2_656
Dy2 Dy1 Dy2 58.410(11) . 2_656
O22 Dy4 O28 103.08(13) . .
O22 Dy4 O25 142.15(13) . 2_655
O28 Dy4 O25 83.75(12) . 2_655
O22 Dy4 O31 88.02(14) . .
O28 Dy4 O31 145.51(13) . .
O25 Dy4 O31 107.39(12) 2_655 .
O22 Dy4 O25 83.86(12) . .
O28 Dy4 O25 144.51(13) . .
O25 Dy4 O25 71.08(14) 2_655 .
O31 Dy4 O25 68.26(13) . .
O22 Dy4 O30 72.65(13) . .
O28 Dy4 O30 80.63(13) . .
O25 Dy4 O30 144.69(12) 2_655 .
O31 Dy4 O30 71.61(13) . .
O25 Dy4 O30 133.76(12) . .
O22 Dy4 O24 76.23(12) . .
O28 Dy4 O24 78.78(12) . .
O25 Dy4 O24 68.60(12) 2_655 .
O31 Dy4 O24 135.70(12) . .
O25 Dy4 O24 69.05(12) . .
O30 Dy4 O24 137.34(12) . .
O22 Dy4 O26 146.84(13) . .
O28 Dy4 O26 82.70(13) . .
O25 Dy4 O26 70.45(12) 2_655 .
O31 Dy4 O26 71.31(14) . .
O25 Dy4 O26 110.48(12) . .
O30 Dy4 O26 76.26(13) . .
O24 Dy4 O26 136.44(12) . .
O22 Dy4 Dy4 121.38(9) . 2_655
O28 Dy4 Dy4 122.16(9) . 2_655
O25 Dy4 Dy4 38.42(8) 2_655 2_655
O31 Dy4 Dy4 75.42(9) . 2_655
O25 Dy4 Dy4 37.64(8) . 2_655
O30 Dy4 Dy4 143.64(10) . 2_655
O24 Dy4 Dy4 78.19(8) . 2_655
O26 Dy4 Dy4 79.07(9) . 2_655
O22 Dy4 Dy3 111.57(10) . 2_655
O28 Dy4 Dy3 69.46(9) . 2_655
O25 Dy4 Dy3 35.71(9) 2_655 2_655
O31 Dy4 Dy3 136.60(9) . 2_655
O25 Dy4 Dy3 75.59(8) . 2_655
O30 Dy4 Dy3 150.04(9) . 2_655
O24 Dy4 Dy3 35.39(8) . 2_655
O26 Dy4 Dy3 101.09(9) . 2_655
Dy4 Dy4 Dy3 61.247(9) 2_655 2_655
O22 Dy4 Dy3 67.67(9) . .
O28 Dy4 Dy3 114.75(10) . .
O25 Dy4 Dy3 75.62(9) 2_655 .
O31 Dy4 Dy3 99.70(9) . .
O25 Dy4 Dy3 35.71(9) . .
O30 Dy4 Dy3 139.67(9) . .
O24 Dy4 Dy3 36.01(8) . .
O26 Dy4 Dy3 139.74(9) . .
Dy4 Dy4 Dy3 60.813(10) 2_655 .
Dy3 Dy4 Dy3 57.981(11) 2_655 .
Dy2 O11 Dy1 108.51(12) . .
Dy2 O11 Dy2 104.54(12) . 2_656
Dy1 O11 Dy2 107.72(12) . 2_656
Dy1 O10 Dy1 104.82(12) 2_656 .
Dy1 O10 Dy2 107.88(12) 2_656 .
Dy1 O10 Dy2 107.58(12) . .
O6 C19 O5 124.8(4) . .
O6 C19 C20 118.6(4) . .
O5 C19 C20 116.6(4) . .
Dy3 O24 Dy3 104.52(13) 2_655 .
Dy3 O24 Dy4 108.08(14) 2_655 .
Dy3 O24 Dy4 107.51(13) . .
C8 O15 Dy2 132.0(3) . .
O9 C24 O8 124.0(4) . .
O9 C24 C25 117.7(4) . .
O8 C24 C25 118.3(4) . .
Dy4 O25 Dy3 109.02(14) 2_655 .
Dy4 O25 Dy4 103.94(13) 2_655 .
Dy3 O25 Dy4 108.31(14) . .
C24 O8 Dy1 136.6(3) . .
C10 O14 Dy2 132.6(3) . .
C19 O6 Dy2 137.5(3) . 2_656
C64 O23 Dy3 128.9(3) . .
C39 O3 Dy1 132.1(3) . .
C52 C53 C48 118.9(6) . .
C52 C53 C54 119.0(6) . .
C48 C53 C54 122.0(5) . .
C19 O5 Dy1 133.3(3) . .
C45 O4 C46 117.4(4) . .
C6 C7 C2 118.9(5) . .
C6 C7 C8 121.3(5) . .
C2 C7 C8 119.8(5) . .
C70 O28 Dy4 138.2(3) . .
C82 O31 Dy4 132.5(3) . .
C18 O12 Dy2 127.9(3) . .
C62 C57 C58 118.0(6) . .
C62 C57 C56 125.7(7) . .
C58 C57 C56 116.3(6) . .
C65 O22 Dy4 138.7(3) . .
C37 O2 Dy1 133.5(3) . .
C70 O27 Dy3 136.4(3) . 2_655
C29 O7 Dy1 128.2(3) . .
C24 O9 Dy2 136.4(3) . .
C2 O16 C1 117.5(4) . .
C78 C77 C76 120.5(6) . .
C33 C34 C35 118.1(6) . .
C56 O18 Dy3 132.8(3) . .
C11 C12 C13 120.3(6) . .
O32 C76 C77 125.5(6) . .
O32 C76 C81 115.1(5) . .
C77 C76 C81 119.4(6) . .
C31 O1 C30 118.0(5) . .
C53 C52 C51 120.7(6) . .
C50 C51 C52 119.2(6) . .
C4 C5 C6 119.2(6) . .
C84 O30 Dy4 133.0(3) . .
O17 C62 C57 116.7(6) . .
O17 C62 C61 123.3(7) . .
C57 C62 C61 120.1(8) . .
C54 O19 Dy3 132.8(3) . .
C60 C59 C58 118.5(8) . .
C92 O26 Dy4 129.0(3) . .
O30 C84 C83 125.1(5) . .
O30 C84 C85 117.1(5) . .
C83 C84 C85 117.7(5) . .
C60 C61 C62 119.0(7) . .
C15 C14 C13 123.0(6) . .
C14 C13 C12 118.2(7) . .
C8 C9 C10 123.9(5) . .
O21 C65 O22 124.2(5) . .
O21 C65 C67 118.6(5) . .
O22 C65 C67 117.1(5) . .
C39 C38 C37 124.0(5) . .
O4 C45 C44 124.0(5) . .
O4 C45 C40 115.6(4) . .
C44 C45 C40 120.4(5) . .
C82 C83 C84 123.2(6) . .
C5 C4 C3 120.9(6) . .
C76 O32 C75 118.0(5) . .
C16 O13 C17 119.3(6) . .
O16 C2 C3 124.3(5) . .
O16 C2 C7 116.2(5) . .
C3 C2 C7 119.4(5) . .
O15 C8 C9 125.4(5) . .
O15 C8 C7 116.1(4) . .
C9 C8 C7 118.5(5) . .
O2 C37 C38 124.8(5) . .
O2 C37 C36 115.7(4) . .
C38 C37 C36 119.5(4) . .
C61 C60 C59 122.2(7) . .
C41 C40 C45 118.7(5) . .
C41 C40 C39 121.7(5) . .
C45 C40 C39 119.5(4) . .
O3 C39 C38 125.2(4) . .
O3 C39 C40 114.8(4) . .
C38 C39 C40 120.0(4) . .
C42 C43 C44 120.6(5) . .
C45 C44 C43 119.8(5) . .
O18 C56 C55 124.8(5) . .
O18 C56 C57 114.8(5) . .
C55 C56 C57 120.1(5) . .
C12 C11 C16 119.8(5) . .
C12 C11 C10 116.8(5) . .
C16 C11 C10 123.5(5) . .
C21 C20 C23 109.8(5) . .
C21 C20 C22 109.6(5) . .
C23 C20 C22 111.0(5) . .
C21 C20 C19 111.0(4) . .
C23 C20 C19 108.6(4) . .
C22 C20 C19 106.9(4) . .
C35 C36 C31 119.4(5) . .
C35 C36 C37 117.5(5) . .
C31 C36 C37 123.1(5) . .
C36 C35 C34 121.1(6) . .
C4 C3 C2 119.9(5) . .
C40 C41 C42 121.0(5) . .
C62 O17 C63 120.2(7) . .
O28 C70 O27 124.7(5) . .
O28 C70 C71 118.1(5) . .
O27 C70 C71 117.2(5) . .
C28 C25 C26 109.5(6) . .
C28 C25 C24 108.2(4) . .
C26 C25 C24 109.6(5) . .
C28 C25 C27 108.6(5) . .
C26 C25 C27 110.2(6) . .
C24 C25 C27 110.8(4) . .
O31 C82 C83 126.0(5) . .
O31 C82 C81 114.1(5) . .
C83 C82 C81 119.9(5) . .
C54 C55 C56 124.0(5) . .
O14 C10 C9 124.8(5) . .
O14 C10 C11 116.5(5) . .
C9 C10 C11 118.5(5) . .
C69 C67 C68 111.0(5) . .
C69 C67 C65 110.8(5) . .
C68 C67 C65 111.5(5) . .
C69 C67 C66 108.6(5) . .
C68 C67 C66 108.5(5) . .
C65 C67 C66 106.3(5) . .
C43 C42 C41 119.6(5) . .
O1 C31 C36 117.1(5) . .
O1 C31 C32 123.3(5) . .
C36 C31 C32 119.5(5) . .
C59 C58 C57 122.0(7) . .
O13 C16 C15 122.6(6) . .
O13 C16 C11 118.0(5) . .
C15 C16 C11 119.4(7) . .
C81 C80 C79 122.0(6) . .
C73 C71 C74 111.7(6) . .
C73 C71 C70 107.9(5) . .
C74 C71 C70 111.3(5) . .
C73 C71 C72 107.7(6) . .
C74 C71 C72 108.2(6) . .
C70 C71 C72 110.0(5) . .
C32 C33 C34 122.5(6) . .
C33 C32 C31 119.5(6) . .
C78 C79 C80 117.9(6) . .
O19 C54 C55 123.9(5) . .
O19 C54 C53 114.6(5) . .
C55 C54 C53 121.4(5) . .
C80 C81 C76 118.9(6) . .
C80 C81 C82 122.6(6) . .
C76 C81 C82 118.3(5) . .
C65 O21 Dy3 133.6(3) . .
C48 O20 C47 117.9(5) . .
C90 O29 C91 118.2(5) . .
O20 C48 C49 123.5(6) . .
O20 C48 C53 117.0(5) . .
C49 C48 C53 119.5(6) . .
C90 C85 C86 118.2(5) . .
C90 C85 C84 124.8(6) . .
C86 C85 C84 117.0(5) . .
C85 C86 C87 121.6(6) . .
O29 C90 C85 117.8(5) . .
O29 C90 C89 122.6(6) . .
C85 C90 C89 119.6(6) . .
C50 C49 C48 120.3(7) . .
C49 C50 C51 121.3(7) . .
C88 C87 C86 119.7(6) . .
C88 C89 C90 121.7(7) . .
C87 C88 C89 119.1(6) . .
C7 C6 C5 121.6(6) . .
C77 C78 C79 121.3(6) . .
C14 C15 C16 119.3(7) . .
O27 Dy3 O21 103.54(13) 2_655 .
O27 Dy3 O24 83.23(12) 2_655 2_655
O21 Dy3 O24 143.85(13) . 2_655
O27 Dy3 O18 77.24(13) 2_655 .
O21 Dy3 O18 73.72(13) . .
O24 Dy3 O18 141.51(12) 2_655 .
O27 Dy3 O25 79.39(12) 2_655 .
O21 Dy3 O25 77.07(12) . .
O24 Dy3 O25 69.27(12) 2_655 .
O18 Dy3 O25 136.70(13) . .
O27 Dy3 O24 145.13(13) 2_655 .
O21 Dy3 O24 85.40(12) . .
O24 Dy3 O24 71.13(13) 2_655 .
O18 Dy3 O24 137.06(13) . .
O25 Dy3 O24 69.77(12) . .
O27 Dy3 O19 145.29(13) 2_655 .
O21 Dy3 O19 81.50(13) . .
O24 Dy3 O19 113.10(12) 2_655 .
O18 Dy3 O19 71.26(13) . .
O25 Dy3 O19 134.40(12) . .
O24 Dy3 O19 68.78(12) . .
O27 Dy3 O23 87.35(13) 2_655 .
O21 Dy3 O23 146.19(13) . .
O24 Dy3 O23 68.36(12) 2_655 .
O18 Dy3 O23 77.82(13) . .
O25 Dy3 O23 136.72(12) . .
O24 Dy3 O23 103.92(12) . .
O19 Dy3 O23 72.28(12) . .
O27 Dy3 Dy3 121.30(9) 2_655 2_655
O21 Dy3 Dy3 122.61(9) . 2_655
O24 Dy3 Dy3 38.09(8) 2_655 2_655
O18 Dy3 Dy3 145.09(10) . 2_655
O25 Dy3 Dy3 78.08(8) . 2_655
O24 Dy3 Dy3 37.39(8) . 2_655
O19 Dy3 Dy3 80.54(8) . 2_655
O23 Dy3 Dy3 74.22(8) . 2_655
O27 Dy3 Dy4 69.30(9) 2_655 2_655
O21 Dy3 Dy4 112.25(9) . 2_655
O24 Dy3 Dy4 36.52(9) 2_655 2_655
O18 Dy3 Dy4 146.51(10) . 2_655
O25 Dy3 Dy4 35.28(8) . 2_655
O24 Dy3 Dy4 76.09(8) . 2_655
O19 Dy3 Dy4 141.13(8) . 2_655
O23 Dy3 Dy4 101.55(9) . 2_655
Dy3 Dy3 Dy4 61.225(10) 2_655 2_655
O27 Dy3 Dy4 115.36(10) 2_655 .
O21 Dy3 Dy4 68.89(9) . .
O24 Dy3 Dy4 76.09(9) 2_655 .
O18 Dy3 Dy4 142.36(9) . .
O25 Dy3 Dy4 35.99(8) . .
O24 Dy3 Dy4 36.48(9) . .
O19 Dy3 Dy4 98.63(8) . .
O23 Dy3 Dy4 135.01(8) . .
Dy3 Dy3 Dy4 60.792(9) 2_655 .
Dy4 Dy3 Dy4 57.938(11) 2_655 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy2 O9 2.295(3) .
Dy2 O6 2.311(3) 2_656
Dy2 O11 2.353(3) .
Dy2 O14 2.367(3) .
Dy2 O15 2.379(3) .
Dy2 O11 2.382(3) 2_656
Dy2 O10 2.382(3) .
Dy2 O12 2.479(3) .
Dy2 Dy2 3.7444(7) 2_656
Dy2 Dy1 3.8349(6) .
Dy2 Dy1 3.8390(6) 2_656
Dy1 O5 2.315(3) .
Dy1 O8 2.331(3) .
Dy1 O2 2.351(3) .
Dy1 O3 2.364(3) .
Dy1 O10 2.367(3) 2_656
Dy1 O10 2.371(3) .
Dy1 O11 2.372(3) .
Dy1 O7 2.489(3) .
Dy1 Dy1 3.7548(7) 2_656
Dy1 Dy2 3.8390(6) 2_656
Dy4 O22 2.279(4) .
Dy4 O28 2.303(4) .
Dy4 O25 2.348(3) 2_655
Dy4 O31 2.369(4) .
Dy4 O25 2.389(3) .
Dy4 O30 2.397(4) .
Dy4 O24 2.406(4) .
Dy4 O26 2.466(4) .
Dy4 Dy4 3.7308(7) 2_655
Dy4 Dy3 3.8433(6) 2_655
Dy4 Dy3 3.8595(6) .
O11 Dy2 2.382(3) 2_656
O10 Dy1 2.367(3) 2_656
C19 O6 1.251(6) .
C19 O5 1.266(6) .
C19 C20 1.530(7) .
O24 Dy3 2.342(3) 2_655
O24 Dy3 2.379(3) .
O15 C8 1.285(6) .
C24 O9 1.259(6) .
C24 O8 1.269(6) .
C24 C25 1.528(7) .
O25 Dy4 2.348(3) 2_655
O25 Dy3 2.373(4) .
O14 C10 1.260(6) .
O6 Dy2 2.311(3) 2_656
O23 C64 1.426(7) .
O23 Dy3 2.492(4) .
O3 C39 1.288(6) .
C53 C52 1.391(8) .
C53 C48 1.398(8) .
C53 C54 1.499(8) .
O4 C45 1.372(6) .
O4 C46 1.424(6) .
C7 C6 1.372(8) .
C7 C2 1.413(7) .
C7 C8 1.497(7) .
O28 C70 1.249(7) .
O31 C82 1.308(7) .
O12 C18 1.440(6) .
C57 C62 1.383(9) .
C57 C58 1.389(10) .
C57 C56 1.519(8) .
O22 C65 1.260(6) .
O2 C37 1.262(6) .
O27 C70 1.270(7) .
O27 Dy3 2.330(4) 2_655
O7 C29 1.432(6) .
O16 C2 1.368(6) .
O16 C1 1.420(7) .
C77 C78 1.368(9) .
C77 C76 1.381(9) .
C34 C33 1.378(9) .
C34 C35 1.396(8) .
C30 O1 1.427(7) .
O18 C56 1.261(7) .
O18 Dy3 2.342(4) .
C12 C11 1.384(8) .
C12 C13 1.398(8) .
C76 O32 1.369(7) .
C76 C81 1.405(8) .
O1 C31 1.351(7) .
C52 C51 1.395(10) .
C51 C50 1.371(10) .
C5 C4 1.373(9) .
C5 C6 1.388(8) .
O30 C84 1.292(7) .
C62 O17 1.359(9) .
C62 C61 1.413(10) .
O19 C54 1.293(6) .
O19 Dy3 2.382(4) .
C59 C60 1.360(12) .
C59 C58 1.378(9) .
O26 C92 1.461(7) .
C84 C83 1.415(8) .
C84 C85 1.495(8) .
C61 C60 1.358(12) .
C14 C15 1.354(11) .
C14 C13 1.373(11) .
C9 C8 1.379(7) .
C9 C10 1.416(7) .
C65 O21 1.256(6) .
C65 C67 1.529(7) .
C38 C39 1.378(7) .
C38 C37 1.408(7) .
C45 C44 1.381(7) .
C45 C40 1.401(7) .
C83 C82 1.382(8) .
C4 C3 1.384(9) .
O32 C75 1.415(8) .
O13 C16 1.341(8) .
O13 C17 1.427(7) .
C2 C3 1.393(8) .
C37 C36 1.496(7) .
C73 C71 1.494(10) .
C40 C41 1.384(7) .
C40 C39 1.501(7) .
C63 O17 1.441(9) .
C74 C71 1.495(9) .
C43 C42 1.376(8) .
C43 C44 1.384(8) .
C56 C55 1.404(9) .
C11 C16 1.402(8) .
C11 C10 1.502(7) .
C20 C21 1.523(8) .
C20 C23 1.524(8) .
C20 C22 1.525(8) .
C36 C35 1.394(8) .
C36 C31 1.396(8) .
C41 C42 1.386(8) .
C70 C71 1.539(8) .
C25 C28 1.512(8) .
C25 C26 1.515(8) .
C25 C27 1.528(8) .
C82 C81 1.505(8) .
C55 C54 1.389(8) .
C67 C69 1.498(8) .
C67 C68 1.520(8) .
C67 C66 1.550(9) .
C31 C32 1.404(8) .
C16 C15 1.395(9) .
C80 C81 1.361(9) .
C80 C79 1.404(9) .
C71 C72 1.563(10) .
C33 C32 1.368(9) .
C79 C78 1.373(10) .
O21 Dy3 2.335(4) .
O20 C48 1.357(7) .
O20 C47 1.423(7) .
O29 C90 1.358(8) .
O29 C91 1.427(7) .
C48 C49 1.398(8) .
C85 C90 1.387(9) .
C85 C86 1.395(9) .
C86 C87 1.408(9) .
C90 C89 1.400(9) .
C49 C50 1.364(10) .
C87 C88 1.364(10) .
C89 C88 1.390(10) .
Dy3 O27 2.330(4) 2_655
Dy3 O24 2.342(3) 2_655
Dy3 Dy3 3.7333(7) 2_655
Dy3 Dy4 3.8433(6) 2_655
