#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:25:23 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180038 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/32/7033225.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_7033225
loop_
_publ_author_name
'Langley, Stuart K.'
'Forsyth, Craig M.'
'Moubaraki, Boujemaa'
'Murray, Keith S.'
_publ_section_title
;
 A fluoride bridged {Cr(III)4Dy(III)4} single molecule magnet.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              912
_journal_page_last               915
_journal_paper_doi               10.1039/c4dt03100h
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C78.75 H101 Cr4 Dy4 F4 N4 O30.25'
_chemical_formula_weight         2521.58
_chemical_name_common
'[CrIII4DyIII4F4(OMe)1.12(OH)2.88(O2CPh)8(mdea)4] '
_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_date             '9 November 2005'
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-11-05 deposited with the CCDC.
2014-11-24 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 106.97(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.266(4)
_cell_length_b                   28.026(6)
_cell_length_c                   23.327(5)
_cell_measurement_reflns_used    182478
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.91
_cell_measurement_theta_min      1.17
_cell_volume                     10796(4)
_computing_cell_refinement       'XDS (Kabsch, 1993)'
_computing_data_collection       'Blu-Ice (McPhillips et al, 2002)'
_computing_data_reduction        'XDS (Kabsch, 1993)'
_computing_molecular_graphics    X-SEED
_computing_publication_material  'XCIF V6.12 (BrukerAXS, 2001).'
_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 0.992
_diffrn_measurement_device_type  synchrotron
_diffrn_measurement_method       'scans in phi'
_diffrn_radiation_monochromator  'double crystal'
_diffrn_radiation_source         '3BM1 dipole'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.71079
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0360
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            26159
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.91
_diffrn_reflns_theta_min         0.91
_exptl_absorpt_coefficient_mu    3.192
_exptl_absorpt_correction_T_max  0.897
_exptl_absorpt_correction_T_min  0.463
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.547
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             4929
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_recrystallization_method 'layered diethyl ether on methanol'
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.01
_platon_squeeze_details
;
;
_refine_diff_density_max         3.167
_refine_diff_density_min         -2.943
_refine_diff_density_rms         0.163
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1329
_refine_ls_number_reflns         26159
_refine_ls_number_restraints     61
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0713
_refine_ls_R_factor_gt           0.0534
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0997P)²+6.1640P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1482
_refine_ls_wR_factor_ref         0.1563
_reflns_number_gt                18649
_reflns_number_total             26159
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt03100h2.cif
_cod_data_source_block           global
_cod_depositor_comments          'Adding full bibliography for 7033225.cif.'
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               7033225
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 0.510304(17) 0.681146(9) 0.619849(12) 0.04030(8) Uani 1 1 d . . .
Dy2 Dy 0.664721(17) 0.681184(8) 0.525986(11) 0.03807(7) Uani 1 1 d . . .
Dy3 Dy 0.934279(17) 0.680464(8) 0.211553(11) 0.03706(7) Uani 1 1 d . . .
Dy4 Dy 0.794208(19) 0.681487(9) 0.048648(11) 0.04215(8) Uani 1 1 d . . .
Cr1 Cr 0.35603(9) 0.7500 0.62707(7) 0.0560(4) Uani 1 2 d S . .
Cr2 Cr 0.64867(6) 0.59740(3) 0.62137(4) 0.0408(2) Uani 1 1 d . . .
Cr3 Cr 0.69900(9) 0.7500 0.42054(5) 0.0407(3) Uani 1 2 d S . .
Cr4 Cr 1.08829(9) 0.7500 0.28215(6) 0.0449(3) Uani 1 2 d S . .
Cr5 Cr 0.79429(6) 0.59774(3) 0.14852(4) 0.0448(2) Uani 1 1 d . . .
Cr6 Cr 0.77376(9) 0.7500 -0.07025(5) 0.0449(3) Uani 1 2 d S . .
F1 F 0.5705(3) 0.7500 0.65739(18) 0.0411(10) Uani 1 2 d S . .
F2 F 0.5342(2) 0.68749(11) 0.52961(14) 0.0428(7) Uani 1 1 d . . .
F3 F 0.7109(3) 0.7500 0.57435(19) 0.0416(10) Uani 1 2 d S . .
F4 F 0.8735(3) 0.7500 0.22210(18) 0.0387(9) Uani 1 2 d S . .
F5 F 0.9189(2) 0.68641(10) 0.11186(14) 0.0430(7) Uani 1 1 d . . .
F6 F 0.7450(3) 0.7500 0.0746(2) 0.0455(10) Uani 1 2 d S . .
O1 O 0.4294(3) 0.7500 0.5764(3) 0.0449(12) Uani 1 2 d S . .
O1S O 0.4344(10) 0.7500 0.4504(8) 0.085(5) Uani 0.50 2 d SP A 2
O2 O 0.4233(3) 0.70062(18) 0.6743(2) 0.0584(11) Uani 1 1 d . . .
O2S O 0.4393(3) 0.59723(17) 0.4604(2) 0.0662(13) Uani 1 1 d . . .
H2S H 0.4689 0.6080 0.4931 0.079 Uiso 1 1 calc R . .
O3 O 0.2838(3) 0.70121(19) 0.5788(2) 0.0657(13) Uani 1 1 d . . .
O3S O 0.8858(9) 0.7500 0.5829(6) 0.146(5) Uani 1 2 d S . .
H3S H 0.9148 0.7707 0.5732 0.175 Uiso 0.50 1 calc PR . .
O4 O 0.3786(3) 0.65064(16) 0.5634(2) 0.0586(11) Uani 1 1 d . . .
O4S O 0.5760(7) 0.7500 0.0132(7) 0.139(4) Uani 1 2 d S . .
O5 O 0.5313(3) 0.60257(14) 0.60069(16) 0.0449(9) Uani 1 1 d . . .
O6 O 0.5612(3) 0.64173(14) 0.71489(17) 0.0474(9) Uani 1 1 d . . .
O7 O 0.6553(3) 0.58841(14) 0.70713(17) 0.0475(9) Uani 1 1 d . . .
O8 O 0.6525(2) 0.66677(13) 0.62655(16) 0.0377(8) Uani 1 1 d . . .
O9 O 0.6470(3) 0.60205(13) 0.53830(16) 0.0451(9) Uani 1 1 d . . .
O10 O 0.7684(3) 0.58835(15) 0.64154(17) 0.0488(10) Uani 1 1 d . . .
O11 O 0.7943(3) 0.64840(16) 0.58525(18) 0.0507(10) Uani 1 1 d . . .
O12 O 0.7550(3) 0.69991(14) 0.47508(17) 0.0447(9) Uani 1 1 d . . .
O13 O 0.6091(3) 0.64971(13) 0.42655(16) 0.0437(9) Uani 1 1 d . . .
O14 O 0.6424(3) 0.70016(13) 0.36156(16) 0.0473(10) Uani 1 1 d . . .
O15 O 0.6168(3) 0.7500 0.4635(2) 0.0382(11) Uani 1 2 d S . .
O16 O 1.0125(3) 0.7500 0.2022(2) 0.0403(12) Uani 1 2 d S . .
O17 O 1.0229(3) 0.70012(14) 0.30269(16) 0.0450(9) Uani 1 1 d . . .
O18 O 1.1597(3) 0.70006(15) 0.2635(2) 0.0534(10) Uani 1 1 d . . .
O19 O 1.0633(3) 0.65015(14) 0.2101(2) 0.0527(10) Uani 1 1 d . . .
O20 O 0.7948(2) 0.66725(13) 0.15263(16) 0.0398(8) Uani 1 1 d . . .
O21 O 0.8769(2) 0.64074(13) 0.28333(16) 0.0426(8) Uani 1 1 d . . .
O22 O 0.7810(3) 0.58936(15) 0.22922(18) 0.0508(10) Uani 1 1 d . . .
O23 O 0.9106(3) 0.60090(13) 0.18441(18) 0.0471(9) Uani 1 1 d . . .
O24 O 0.8064(3) 0.60180(14) 0.06849(18) 0.0491(10) Uani 1 1 d . . .
O25 O 0.6745(3) 0.59250(16) 0.11014(19) 0.0556(11) Uani 1 1 d . . .
O26 O 0.6603(3) 0.65370(17) 0.04520(19) 0.0555(11) Uani 1 1 d . . .
O27 O 0.8632(3) 0.65003(16) -0.02046(18) 0.0561(11) Uani 1 1 d . . .
O28 O 0.8341(3) 0.69989(15) -0.09981(17) 0.0522(10) Uani 1 1 d . . .
O29 O 0.7132(3) 0.70013(14) -0.04534(16) 0.0470(9) Uani 1 1 d . . .
O30 O 0.8474(4) 0.7500 0.0112(2) 0.0457(13) Uani 1 2 d S . .
N1 N 0.3032(6) 0.7500 0.6979(5) 0.074(3) Uani 1 2 d S . .
N2 N 0.6253(4) 0.52529(16) 0.6005(2) 0.0510(13) Uani 1 1 d . . .
N3 N 0.8050(5) 0.7500 0.3929(3) 0.056(2) Uani 1 2 d S . .
N4 N 1.1479(5) 0.7500 0.3737(3) 0.060(2) Uani 1 2 d S . .
N5 N 0.8155(4) 0.52484(18) 0.1395(3) 0.0596(15) Uani 1 1 d . . .
N6 N 0.6739(5) 0.7500 -0.1477(3) 0.0570(19) Uani 1 2 d S . .
C1 C 0.3950(14) 0.7500 0.5198(11) 0.077(6) Uani 0.50 2 d SP B 1
H1A H 0.4364 0.7500 0.4986 0.115 Uiso 0.50 2 calc SPR B 1
H1B H 0.3612 0.7786 0.5087 0.115 Uiso 0.25 1 calc PR B 1
H1C H 0.3612 0.7214 0.5087 0.115 Uiso 0.25 1 calc PR B 1
C2 C 0.4289(11) 0.7071(9) 0.7362(7) 0.078(5) Uani 0.50 1 d P B 1
H2A H 0.4657 0.7340 0.7528 0.094 Uiso 0.50 1 calc PR B 1
H2B H 0.4515 0.6779 0.7590 0.094 Uiso 0.50 1 calc PR B 1
C2' C 0.3982(11) 0.6792(7) 0.7205(8) 0.068(4) Uani 0.50 1 d P B 2
H2'1 H 0.4353 0.6881 0.7600 0.081 Uiso 0.50 1 calc PR B 2
H2'2 H 0.3986 0.6440 0.7167 0.081 Uiso 0.50 1 calc PR B 2
C2S C 0.4128(6) 0.6338(3) 0.4214(3) 0.075(2) Uani 1 1 d . . .
H2S1 H 0.3900 0.6589 0.4408 0.112 Uiso 1 1 calc R . .
H2S2 H 0.3710 0.6221 0.3860 0.112 Uiso 1 1 calc R . .
H2S3 H 0.4582 0.6468 0.4091 0.112 Uiso 1 1 calc R . .
C3 C 0.3479(12) 0.7169(8) 0.7425(8) 0.075(5) Uani 0.50 1 d P B 1
H3A H 0.3173 0.6866 0.7388 0.090 Uiso 0.50 1 calc PR B 1
H3B H 0.3537 0.7301 0.7829 0.090 Uiso 0.50 1 calc PR B 1
C3' C 0.3133(12) 0.6964(9) 0.7151(10) 0.085(6) Uani 0.50 1 d P B 2
H3'1 H 0.3016 0.6916 0.7538 0.101 Uiso 0.50 1 calc PR B 2
H3'2 H 0.2739 0.6774 0.6842 0.101 Uiso 0.50 1 calc PR B 2
C3S C 0.901(2) 0.7500 0.6460(17) 0.228(16) Uani 1 2 d S . .
H3S1 H 0.8728 0.7766 0.6586 0.342 Uiso 0.50 1 d P . .
H3S2 H 0.9600 0.7536 0.6658 0.342 Uiso 0.50 1 d P . .
H3S3 H 0.8832 0.7198 0.6595 0.342 Uiso 0.50 1 d P . .
C4 C 0.2121(9) 0.7396(3) 0.6738(9) 0.100(8) Uani 0.50 1 d PD B 1
H4A H 0.2028 0.7148 0.6429 0.149 Uiso 0.50 1 calc PR B 1
H4B H 0.1834 0.7688 0.6565 0.149 Uiso 0.50 1 calc PR B 1
H4C H 0.1919 0.7286 0.7067 0.149 Uiso 0.50 1 calc PR B 1
C5 C 0.3073(4) 0.6632(3) 0.5585(3) 0.0559(16) Uani 1 1 d . B .
C6 C 0.2399(4) 0.6313(2) 0.5240(3) 0.0565(16) Uani 1 1 d . . .
C7 C 0.2524(4) 0.5989(2) 0.4845(4) 0.0633(18) Uani 1 1 d . B .
H7 H 0.3047 0.5949 0.4796 0.076 Uiso 1 1 calc R . .
C8 C 0.1862(5) 0.5712(3) 0.4504(4) 0.070(2) Uani 1 1 d . . .
H8 H 0.1945 0.5486 0.4225 0.084 Uiso 1 1 calc R B .
C9 C 0.1112(5) 0.5765(3) 0.4572(4) 0.0680(19) Uani 1 1 d . B .
H9 H 0.0674 0.5576 0.4341 0.082 Uiso 1 1 calc R . .
C10 C 0.0988(5) 0.6086(3) 0.4968(4) 0.076(2) Uani 1 1 d . . .
H10 H 0.0463 0.6121 0.5015 0.092 Uiso 1 1 calc R B .
C11 C 0.1616(5) 0.6366(3) 0.5305(4) 0.079(2) Uani 1 1 d . B .
H11 H 0.1520 0.6593 0.5579 0.095 Uiso 1 1 calc R . .
C12 C 0.4954(4) 0.5592(2) 0.6078(3) 0.0557(16) Uani 1 1 d . B .
H12A H 0.4363 0.5607 0.5880 0.067 Uiso 1 1 calc R . .
H12B H 0.5042 0.5526 0.6510 0.067 Uiso 1 1 calc R . .
C13 C 0.5319(4) 0.5206(2) 0.5806(3) 0.0554(15) Uani 1 1 d . B .
H13A H 0.5112 0.5226 0.5364 0.066 Uiso 1 1 calc R . .
H13B H 0.5163 0.4892 0.5932 0.066 Uiso 1 1 calc R . .
C14 C 0.6615(5) 0.4921(2) 0.6498(3) 0.067(2) Uani 1 1 d . B .
H14A H 0.6393 0.4984 0.6832 0.101 Uiso 1 1 calc R . .
H14B H 0.7204 0.4967 0.6632 0.101 Uiso 1 1 calc R . .
H14C H 0.6491 0.4593 0.6358 0.101 Uiso 1 1 calc R . .
C15 C 0.6082(4) 0.6076(2) 0.7339(2) 0.0437(13) Uani 1 1 d . B .
C16 C 0.6109(5) 0.5855(2) 0.7923(2) 0.0528(16) Uani 1 1 d . . .
C17 C 0.5436(5) 0.5873(3) 0.8130(3) 0.067(2) Uani 1 1 d . B 1
H17 H 0.4968 0.6034 0.7895 0.081 Uiso 1 1 calc R B 1
C18 C 0.5413(10) 0.5668(4) 0.8661(5) 0.121(5) Uani 1 1 d . B 1
H18 H 0.4940 0.5672 0.8790 0.145 Uiso 1 1 calc R B 1
C19 C 0.6132(12) 0.5453(4) 0.8998(5) 0.150(7) Uani 1 1 d . B 1
H19 H 0.6150 0.5318 0.9375 0.180 Uiso 1 1 calc R B 1
C20 C 0.6811(9) 0.5428(3) 0.8813(4) 0.114(4) Uani 1 1 d . B 1
H20 H 0.7287 0.5279 0.9059 0.136 Uiso 1 1 calc R B 1
C21 C 0.6801(6) 0.5623(2) 0.8256(3) 0.071(2) Uani 1 1 d . B 1
H21 H 0.7259 0.5596 0.8111 0.085 Uiso 1 1 calc R B 1
C22 C 0.7143(7) 0.6840(3) 0.6785(4) 0.033(2) Uani 0.50 1 d P B 1
H22A H 0.7134 0.7190 0.6788 0.050 Uiso 0.50 1 calc PR B 1
H22B H 0.7674 0.6729 0.6769 0.050 Uiso 0.50 1 calc PR B 1
H22C H 0.7038 0.6718 0.7149 0.050 Uiso 0.50 1 calc PR B 1
C23 C 0.6566(4) 0.51739(19) 0.5485(2) 0.0451(13) Uani 1 1 d . B .
H23A H 0.6336 0.4875 0.5278 0.054 Uiso 1 1 calc R . .
H23B H 0.7163 0.5140 0.5626 0.054 Uiso 1 1 calc R . .
C24 C 0.6336(4) 0.55939(18) 0.5049(2) 0.0416(12) Uani 1 1 d . B .
H24A H 0.6670 0.5590 0.4769 0.050 Uiso 1 1 calc R . .
H24B H 0.5760 0.5570 0.4812 0.050 Uiso 1 1 calc R . .
C25 C 0.8141(4) 0.6109(2) 0.6169(3) 0.0520(15) Uani 1 1 d . B .
C26 C 0.8957(4) 0.5904(3) 0.6275(3) 0.0642(19) Uani 1 1 d . . .
C27 C 0.9120(5) 0.5441(3) 0.6473(3) 0.074(2) Uani 1 1 d . B 1
H27 H 0.8711 0.5250 0.6557 0.088 Uiso 1 1 calc R B 1
C28 C 0.9912(6) 0.5252(5) 0.6552(4) 0.105(4) Uani 1 1 d . B 1
H28 H 1.0013 0.4930 0.6679 0.126 Uiso 1 1 calc R B 1
C29 C 1.0488(7) 0.5491(5) 0.6460(4) 0.114(4) Uani 1 1 d . B 1
H29 H 1.1001 0.5346 0.6509 0.137 Uiso 1 1 calc R B 1
C30 C 1.0365(6) 0.5976(7) 0.6284(5) 0.158(7) Uani 1 1 d . B 1
H30 H 1.0802 0.6160 0.6232 0.189 Uiso 1 1 calc R B 1
C31 C 0.9571(5) 0.6192(5) 0.6183(4) 0.111(4) Uani 1 1 d . B 1
H31 H 0.9473 0.6515 0.6060 0.133 Uiso 1 1 calc R B 1
C32 C 0.8087(10) 0.6772(5) 0.4517(6) 0.039(3) Uani 0.50 1 d P B 1
H32A H 0.7786 0.6565 0.4182 0.047 Uiso 0.50 1 calc PR B 1
H32B H 0.8443 0.6566 0.4829 0.047 Uiso 0.50 1 calc PR B 1
C32' C 0.8353(11) 0.6855(7) 0.4702(9) 0.056(5) Uani 0.50 1 d PU B 2
H32C H 0.8435 0.6507 0.4758 0.067 Uiso 0.50 1 calc PR B 2
H32D H 0.8794 0.7024 0.5001 0.067 Uiso 0.50 1 calc PR B 2
C33 C 0.8608(9) 0.7123(6) 0.4290(7) 0.052(4) Uani 0.50 1 d P B 1
H33A H 0.9018 0.7272 0.4632 0.063 Uiso 0.50 1 calc PR B 1
H33B H 0.8893 0.6956 0.4037 0.063 Uiso 0.50 1 calc PR B 1
C33' C 0.8318(12) 0.7008(7) 0.4041(8) 0.061(4) Uani 0.50 1 d PU B 2
H33C H 0.8862 0.6974 0.3984 0.073 Uiso 0.50 1 calc PR B 2
H33D H 0.7940 0.6796 0.3750 0.073 Uiso 0.50 1 calc PR B 2
C34 C 0.7842(10) 0.7379(3) 0.3253(6) 0.073(6) Uani 0.50 1 d PD B 2
H34A H 0.7485 0.7100 0.3164 0.110 Uiso 0.50 1 calc PR B 2
H34B H 0.8342 0.7309 0.3150 0.110 Uiso 0.50 1 calc PR B 2
H34C H 0.7567 0.7651 0.3016 0.110 Uiso 0.50 1 calc PR B 2
C35 C 0.6141(4) 0.66088(19) 0.3750(2) 0.0425(12) Uani 1 1 d . B .
C36 C 0.5887(3) 0.62567(19) 0.3255(2) 0.0388(11) Uani 1 1 d . . .
C37 C 0.5970(4) 0.6362(2) 0.2690(3) 0.0505(14) Uani 1 1 d . B .
H37 H 0.6175 0.6663 0.2616 0.061 Uiso 1 1 calc R . .
C38 C 0.5752(4) 0.6024(2) 0.2237(3) 0.0571(17) Uani 1 1 d . . .
H38 H 0.5813 0.6093 0.1854 0.069 Uiso 1 1 calc R B .
C39 C 0.5445(4) 0.5584(2) 0.2339(3) 0.0491(14) Uani 1 1 d . B .
H39 H 0.5301 0.5352 0.2028 0.059 Uiso 1 1 calc R . .
C40 C 0.5353(4) 0.5488(2) 0.2889(3) 0.0484(13) Uani 1 1 d . . .
H40 H 0.5138 0.5188 0.2958 0.058 Uiso 1 1 calc R B .
C41 C 0.5569(4) 0.5820(2) 0.3350(2) 0.0441(12) Uani 1 1 d . B .
H41 H 0.5499 0.5748 0.3730 0.053 Uiso 1 1 calc R . .
C42 C 1.0455(13) 0.6894(13) 0.3632(10) 0.120(15) Uani 0.50 1 d PD C 1
H42A H 1.0313 0.6559 0.3689 0.145 Uiso 0.50 1 calc PR C 1
H42B H 1.0160 0.7103 0.3838 0.145 Uiso 0.50 1 calc PR C 1
C42' C 1.0563(14) 0.6791(6) 0.3558(10) 0.057(5) Uani 0.50 1 d PDU C 2
H42C H 1.0964 0.6549 0.3521 0.069 Uiso 0.50 1 calc PR C 2
H42D H 1.0141 0.6629 0.3697 0.069 Uiso 0.50 1 calc PR C 2
C43 C 1.1410(9) 0.6970(5) 0.3914(6) 0.055(3) Uani 0.50 1 d PD C 1
H43A H 1.1583 0.6925 0.4354 0.066 Uiso 0.50 1 calc PR C 1
H43B H 1.1726 0.6755 0.3730 0.066 Uiso 0.50 1 calc PR C 1
C43' C 1.0999(12) 0.7198(6) 0.4026(7) 0.076(4) Uani 0.50 1 d PDU C 2
H43C H 1.0588 0.7394 0.4138 0.092 Uiso 0.50 1 calc PR C 2
H43D H 1.1357 0.7051 0.4394 0.092 Uiso 0.50 1 calc PR C 2
C44 C 1.2357(9) 0.7395(3) 0.3930(8) 0.103(8) Uani 0.50 1 d PD C 2
H44A H 1.2439 0.7048 0.3945 0.155 Uiso 0.50 1 calc PR C 2
H44B H 1.2603 0.7531 0.4329 0.155 Uiso 0.50 1 calc PR C 2
H44C H 1.2610 0.7535 0.3644 0.155 Uiso 0.50 1 calc PR C 2
C45 C 1.1352(4) 0.6615(2) 0.2336(3) 0.0549(15) Uani 1 1 d . C .
C46 C 1.2004(4) 0.6293(2) 0.2264(3) 0.0517(14) Uani 1 1 d . . .
C47 C 1.1802(5) 0.5857(3) 0.1963(4) 0.068(2) Uani 1 1 d . C .
H47 H 1.1251 0.5764 0.1807 0.082 Uiso 1 1 calc R . .
C48 C 1.2409(5) 0.5566(3) 0.1898(4) 0.076(2) Uani 1 1 d . . .
H48 H 1.2271 0.5269 0.1700 0.091 Uiso 1 1 calc R C .
C49 C 1.3212(4) 0.5692(3) 0.2111(4) 0.069(2) Uani 1 1 d . C .
H49 H 1.3620 0.5487 0.2053 0.083 Uiso 1 1 calc R . .
C50 C 1.3419(5) 0.6118(3) 0.2408(4) 0.071(2) Uani 1 1 d . . .
H50 H 1.3973 0.6206 0.2551 0.086 Uiso 1 1 calc R C .
C51 C 1.2829(4) 0.6422(3) 0.2502(4) 0.0648(18) Uani 1 1 d . C .
H51 H 1.2978 0.6710 0.2722 0.078 Uiso 1 1 calc R . .
C52 C 0.7300(7) 0.6866(3) 0.1747(4) 0.037(2) Uani 0.50 1 d P C 5
H52A H 0.6847 0.6640 0.1660 0.056 Uiso 0.50 1 calc PR C 5
H52B H 0.7114 0.7171 0.1548 0.056 Uiso 0.50 1 calc PR C 5
H52C H 0.7505 0.6916 0.2181 0.056 Uiso 0.50 1 calc PR C 5
C53 C 0.8295(4) 0.6061(2) 0.2787(2) 0.0436(13) Uani 1 1 d . C .
C54 C 0.8265(3) 0.58021(18) 0.3344(3) 0.0404(12) Uani 1 1 d . . .
C55 C 0.8876(4) 0.5847(2) 0.3870(3) 0.0473(13) Uani 1 1 d . C .
H55 H 0.9317 0.6055 0.3885 0.057 Uiso 1 1 calc R . .
C56 C 0.8865(4) 0.5593(2) 0.4385(3) 0.0530(15) Uani 1 1 d . . .
H56 H 0.9296 0.5627 0.4745 0.064 Uiso 1 1 calc R C .
C57 C 0.8226(4) 0.5296(2) 0.4367(3) 0.0559(17) Uani 1 1 d . C .
H57 H 0.8213 0.5127 0.4717 0.067 Uiso 1 1 calc R . .
C58 C 0.7603(4) 0.5241(3) 0.3842(3) 0.0604(18) Uani 1 1 d . . .
H58 H 0.7159 0.5037 0.3832 0.072 Uiso 1 1 calc R C .
C59 C 0.7628(4) 0.5485(2) 0.3322(3) 0.0524(15) Uani 1 1 d . C .
H59 H 0.7213 0.5437 0.2956 0.063 Uiso 1 1 calc R . .
C60 C 0.9467(14) 0.5568(8) 0.1838(9) 0.056(5) Uani 0.50 1 d PDU C 1
H60A H 0.9973 0.5549 0.2174 0.068 Uiso 0.50 1 calc PR C 1
H60B H 0.9608 0.5530 0.1458 0.068 Uiso 0.50 1 calc PR C 1
C60' C 0.9567(15) 0.5580(7) 0.2027(10) 0.062(5) Uani 0.50 1 d PDU C 2
H60C H 0.9715 0.5548 0.2468 0.074 Uiso 0.50 1 calc PR C 2
H60D H 1.0072 0.5596 0.1909 0.074 Uiso 0.50 1 calc PR C 2
C61 C 0.8894(13) 0.5167(5) 0.1896(9) 0.049(4) Uani 0.50 1 d PD C 1
H61A H 0.9132 0.4851 0.1860 0.058 Uiso 0.50 1 calc PR C 1
H61B H 0.8776 0.5185 0.2286 0.058 Uiso 0.50 1 calc PR C 1
C61' C 0.9074(16) 0.5152(9) 0.1736(14) 0.087(9) Uani 0.50 1 d PD C 2
H61C H 0.9101 0.4910 0.2050 0.104 Uiso 0.50 1 calc PR C 2
H61D H 0.9333 0.5012 0.1447 0.104 Uiso 0.50 1 calc PR C 2
C62 C 0.748(2) 0.4946(10) 0.1431(10) 0.070(7) Uani 0.50 1 d P C 2
H62A H 0.7387 0.4986 0.1825 0.105 Uiso 0.50 1 calc PR C 2
H62B H 0.7602 0.4611 0.1376 0.105 Uiso 0.50 1 calc PR C 2
H62C H 0.6986 0.5040 0.1117 0.105 Uiso 0.50 1 calc PR C 2
C62' C 0.7653(19) 0.4896(11) 0.1619(10) 0.061(6) Uani 0.50 1 d P C 1
H62D H 0.7791 0.4915 0.2057 0.092 Uiso 0.50 1 calc PR C 1
H62E H 0.7762 0.4572 0.1502 0.092 Uiso 0.50 1 calc PR C 1
H62F H 0.7077 0.4969 0.1443 0.092 Uiso 0.50 1 calc PR C 1
C63 C 0.8271(18) 0.5160(5) 0.0796(11) 0.062(6) Uani 0.50 1 d PD C 1
H63A H 0.8855 0.5118 0.0840 0.074 Uiso 0.50 1 calc PR C 1
H63B H 0.7986 0.4864 0.0623 0.074 Uiso 0.50 1 calc PR C 1
C63' C 0.798(2) 0.5229(9) 0.0740(16) 0.107(14) Uani 0.50 1 d PD C 2
H63C H 0.7381 0.5243 0.0558 0.128 Uiso 0.50 1 calc PR C 2
H63D H 0.8167 0.4920 0.0627 0.128 Uiso 0.50 1 calc PR C 2
C64 C 0.7954(11) 0.5563(7) 0.0388(9) 0.063(6) Uani 0.50 1 d PD C 1
H64A H 0.8230 0.5568 0.0071 0.075 Uiso 0.50 1 calc PR C 1
H64B H 0.7370 0.5512 0.0192 0.075 Uiso 0.50 1 calc PR C 1
C64' C 0.8352(12) 0.5619(5) 0.0490(8) 0.052(4) Uani 0.50 1 d PD C 2
H64C H 0.8950 0.5604 0.0644 0.062 Uiso 0.50 1 calc PR C 2
H64D H 0.8188 0.5606 0.0047 0.062 Uiso 0.50 1 calc PR C 2
C65 C 0.6346(4) 0.6176(3) 0.0673(3) 0.0547(16) Uani 1 1 d . C .
C66 C 0.5462(5) 0.6050(3) 0.0379(3) 0.0649(19) Uani 1 1 d D . .
C67 C 0.4972(6) 0.6332(4) -0.0040(5) 0.102(3) Uani 1 1 d D C .
H67 H 0.5177 0.6618 -0.0159 0.123 Uiso 1 1 calc R . .
C68 C 0.4168(6) 0.6206(5) -0.0300(6) 0.122(4) Uani 1 1 d DU . .
H68 H 0.3867 0.6349 -0.0666 0.147 Uiso 1 1 calc R C 1
C69 C 0.3933(17) 0.5757(7) -0.0246(11) 0.113(9) Uani 0.50 1 d PDU C 2
H69 H 0.3394 0.5654 -0.0435 0.135 Uiso 0.50 1 calc PR C 2
C69' C 0.3803(13) 0.5870(8) -0.0025(10) 0.132(10) Uani 0.50 1 d PDU C 1
H69' H 0.3245 0.5799 -0.0193 0.159 Uiso 0.50 1 calc PR C 1
C70 C 0.4465(13) 0.5473(10) 0.0067(14) 0.133(10) Uani 0.50 1 d PD C 2
H70 H 0.4289 0.5155 0.0098 0.160 Uiso 0.50 1 calc PR C 2
C70' C 0.4214(12) 0.5656(8) 0.0456(10) 0.089(6) Uani 0.50 1 d PD C 1
H70' H 0.3954 0.5449 0.0665 0.107 Uiso 0.50 1 calc PR C 1
C71 C 0.5268(11) 0.5569(6) 0.0370(9) 0.097(7) Uani 0.50 1 d PD C 2
H71 H 0.5648 0.5329 0.0554 0.116 Uiso 0.50 1 calc PR C 2
C71' C 0.5055(9) 0.5732(6) 0.0667(7) 0.071(4) Uani 0.50 1 d PD C 1
H71' H 0.5361 0.5565 0.1014 0.085 Uiso 0.50 1 calc PR C 1
C72 C 0.8582(4) 0.6603(2) -0.0733(3) 0.0538(15) Uani 1 1 d . C .
C73 C 0.8807(4) 0.6221(3) -0.1118(3) 0.0585(17) Uani 1 1 d . . .
C74 C 0.9093(5) 0.5788(3) -0.0885(3) 0.069(2) Uani 1 1 d . C .
H74 H 0.9200 0.5730 -0.0468 0.083 Uiso 1 1 calc R . .
C75 C 0.9232(6) 0.5425(4) -0.1262(4) 0.092(3) Uani 1 1 d . . .
H75 H 0.9394 0.5116 -0.1106 0.110 Uiso 1 1 calc R C .
C76 C 0.9129(6) 0.5523(4) -0.1854(4) 0.099(4) Uani 1 1 d . C .
H76 H 0.9265 0.5289 -0.2104 0.119 Uiso 1 1 calc R . .
C77 C 0.8831(7) 0.5961(4) -0.2092(4) 0.107(4) Uani 1 1 d . . .
H77 H 0.8733 0.6019 -0.2509 0.128 Uiso 1 1 calc R C .
C78 C 0.8677(5) 0.6309(3) -0.1736(3) 0.072(2) Uani 1 1 d . C .
H78 H 0.8483 0.6611 -0.1901 0.087 Uiso 1 1 calc R . .
C79 C 0.6500(5) 0.6801(3) -0.0906(3) 0.068(2) Uani 0.50 1 d P C 1
H79A H 0.6102 0.6652 -0.0730 0.081 Uiso 0.50 1 calc PR C 1
H79B H 0.6714 0.6551 -0.1118 0.081 Uiso 0.50 1 calc PR C 1
C79' C 0.6500(5) 0.6801(3) -0.0906(3) 0.068(2) Uani 0.50 1 d P C 2
H79C H 0.5982 0.6858 -0.0815 0.081 Uiso 0.50 1 calc PR C 2
H79D H 0.6583 0.6452 -0.0915 0.081 Uiso 0.50 1 calc PR C 2
C80 C 0.6104(11) 0.7181(6) -0.1331(8) 0.078(5) Uani 0.50 1 d P C 1
H80A H 0.5754 0.7375 -0.1154 0.094 Uiso 0.50 1 calc PR C 1
H80B H 0.5758 0.7034 -0.1705 0.094 Uiso 0.50 1 calc PR C 1
C80' C 0.6450(12) 0.7008(5) -0.1511(6) 0.062(4) Uani 0.50 1 d P C 2
H80C H 0.6775 0.6809 -0.1705 0.075 Uiso 0.50 1 calc PR C 2
H80D H 0.5880 0.6997 -0.1766 0.075 Uiso 0.50 1 calc PR C 2
C81 C 0.6926(10) 0.7356(3) -0.2028(5) 0.075(5) Uani 0.50 1 d PD C 1
H81A H 0.6934 0.7007 -0.2052 0.112 Uiso 0.50 1 calc PR C 1
H81B H 0.7458 0.7482 -0.2023 0.112 Uiso 1 2 calc SR C 1
H81C H 0.6512 0.7483 -0.2377 0.112 Uiso 1 2 calc SR C 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr 0.3209 0.6236 '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'
F F 0.0171 0.0103 '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
F1 Dy1 F2 96.06(13) . .
F1 Dy1 O2 83.30(17) . .
F2 Dy1 O2 145.09(15) . .
F1 Dy1 O5 144.93(15) . .
F2 Dy1 O5 79.20(12) . .
O2 Dy1 O5 120.08(16) . .
F1 Dy1 O6 91.85(14) . .
F2 Dy1 O6 140.91(13) . .
O2 Dy1 O6 73.82(16) . .
O5 Dy1 O6 72.70(13) . .
F1 Dy1 O1 67.90(15) . .
F2 Dy1 O1 77.76(15) . .
O2 Dy1 O1 69.66(18) . .
O5 Dy1 O1 141.84(15) . .
O6 Dy1 O1 139.74(16) . .
F1 Dy1 O4 140.22(15) . .
F2 Dy1 O4 85.42(14) . .
O2 Dy1 O4 73.92(17) . .
O5 Dy1 O4 74.52(15) . .
O6 Dy1 O4 111.77(15) . .
O1 Dy1 O4 73.69(15) . .
F1 Dy1 O8 76.98(14) . .
F2 Dy1 O8 67.72(12) . .
O2 Dy1 O8 144.01(15) . .
O5 Dy1 O8 69.03(13) . .
O6 Dy1 O8 77.02(13) . .
O1 Dy1 O8 127.04(15) . .
O4 Dy1 O8 137.79(14) . .
F1 Dy1 Cr1 76.62(11) . .
F2 Dy1 Cr1 111.50(9) . .
O2 Dy1 Cr1 34.26(12) . .
O5 Dy1 Cr1 137.64(11) . .
O6 Dy1 Cr1 107.58(10) . .
O1 Dy1 Cr1 35.80(13) . .
O4 Dy1 Cr1 66.11(12) . .
O8 Dy1 Cr1 153.33(9) . .
F1 Dy1 Cr2 110.56(11) . .
F2 Dy1 Cr2 75.02(8) . .
O2 Dy1 Cr2 137.87(12) . .
O5 Dy1 Cr2 34.47(11) . .
O6 Dy1 Cr2 66.38(10) . .
O1 Dy1 Cr2 152.42(13) . .
O4 Dy1 Cr2 108.20(12) . .
O8 Dy1 Cr2 35.22(9) . .
Cr1 Dy1 Cr2 170.22(2) . .
F1 Dy1 Dy1 30.74(10) . 4_575
F2 Dy1 Dy1 85.50(8) . 4_575
O2 Dy1 Dy1 76.25(12) . 4_575
O5 Dy1 Dy1 163.49(9) . 4_575
O6 Dy1 Dy1 117.38(9) . 4_575
O1 Dy1 Dy1 37.25(11) . 4_575
O4 Dy1 Dy1 110.63(11) . 4_575
O8 Dy1 Dy1 99.47(8) . 4_575
Cr1 Dy1 Dy1 54.622(17) . 4_575
Cr2 Dy1 Dy1 134.614(18) . 4_575
F1 Dy1 Dy2 84.51(11) . .
F2 Dy1 Dy2 30.89(9) . .
O2 Dy1 Dy2 166.22(12) . .
O5 Dy1 Dy2 73.69(10) . .
O6 Dy1 Dy2 113.02(10) . .
O1 Dy1 Dy2 99.74(13) . .
O4 Dy1 Dy2 112.37(12) . .
O8 Dy1 Dy2 36.98(9) . .
Cr1 Dy1 Dy2 135.50(2) . .
Cr2 Dy1 Dy2 53.443(18) . .
Dy1 Dy1 Dy2 89.984(5) 4_575 .
F3 Dy2 O9 144.33(13) . .
F3 Dy2 O12 82.42(15) . .
O9 Dy2 O12 115.39(14) . .
F3 Dy2 F2 97.11(14) . .
O9 Dy2 F2 84.28(13) . .
O12 Dy2 F2 146.38(13) . .
F3 Dy2 O13 141.11(13) . .
O9 Dy2 O13 74.51(13) . .
O12 Dy2 O13 73.91(14) . .
F2 Dy2 O13 86.79(13) . .
F3 Dy2 O15 68.17(14) . .
O9 Dy2 O15 145.36(15) . .
O12 Dy2 O15 70.55(16) . .
F2 Dy2 O15 78.06(15) . .
O13 Dy2 O15 74.96(13) . .
F3 Dy2 O11 84.65(15) . .
O9 Dy2 O11 72.25(15) . .
O12 Dy2 O11 74.25(14) . .
F2 Dy2 O11 139.35(12) . .
O13 Dy2 O11 116.75(14) . .
O15 Dy2 O11 137.62(16) . .
F3 Dy2 O8 77.24(13) . .
O9 Dy2 O8 70.44(12) . .
O12 Dy2 O8 143.13(14) . .
F2 Dy2 O8 67.43(12) . .
O13 Dy2 O8 137.90(12) . .
O15 Dy2 O8 126.89(13) . .
O11 Dy2 O8 73.52(13) . .
F3 Dy2 Cr2 110.95(10) . .
O9 Dy2 Cr2 34.76(9) . .
O12 Dy2 Cr2 136.01(10) . .
F2 Dy2 Cr2 75.67(8) . .
O13 Dy2 Cr2 107.51(9) . .
O15 Dy2 Cr2 153.39(12) . .
O11 Dy2 Cr2 66.04(10) . .
O8 Dy2 Cr2 35.87(8) . .
F3 Dy2 Cr3 76.12(10) . .
O9 Dy2 Cr3 136.32(9) . .
O12 Dy2 Cr3 35.06(10) . .
F2 Dy2 Cr3 111.97(8) . .
O13 Dy2 Cr3 66.71(9) . .
O15 Dy2 Cr3 35.91(12) . .
O11 Dy2 Cr3 107.87(10) . .
O8 Dy2 Cr3 153.03(8) . .
Cr2 Dy2 Cr3 169.40(2) . .
F3 Dy2 Dy2 31.38(10) . 4_575
O9 Dy2 Dy2 167.88(10) . 4_575
O12 Dy2 Dy2 76.69(10) . 4_575
F2 Dy2 Dy2 85.57(7) . 4_575
O13 Dy2 Dy2 111.52(9) . 4_575
O15 Dy2 Dy2 36.95(10) . 4_575
O11 Dy2 Dy2 112.12(11) . 4_575
O8 Dy2 Dy2 99.49(8) . 4_575
Cr2 Dy2 Dy2 135.333(17) . 4_575
Cr3 Dy2 Dy2 54.389(14) . 4_575
F3 Dy2 Dy1 85.41(11) . .
O9 Dy2 Dy1 77.88(10) . .
O12 Dy2 Dy1 166.62(10) . .
F2 Dy2 Dy1 30.62(8) . .
O13 Dy2 Dy1 113.24(10) . .
O15 Dy2 Dy1 99.73(12) . .
O11 Dy2 Dy1 110.17(9) . .
O8 Dy2 Dy1 36.96(9) . .
Cr2 Dy2 Dy1 54.39(2) . .
Cr3 Dy2 Dy1 135.59(2) . .
Dy2 Dy2 Dy1 90.016(5) 4_575 .
F4 Dy3 F5 97.41(13) . .
F4 Dy3 O17 84.10(15) . .
F5 Dy3 O17 141.19(13) . .
F4 Dy3 O23 143.85(15) . .
F5 Dy3 O23 80.35(12) . .
O17 Dy3 O23 120.00(14) . .
F4 Dy3 O19 140.44(14) . .
F5 Dy3 O19 80.97(15) . .
O17 Dy3 O19 74.13(16) . .
O23 Dy3 O19 75.27(15) . .
F4 Dy3 O16 66.67(14) . .
F5 Dy3 O16 75.48(15) . .
O17 Dy3 O16 69.60(16) . .
O23 Dy3 O16 143.94(14) . .
O19 Dy3 O16 74.82(14) . .
F4 Dy3 O20 77.18(14) . .
F5 Dy3 O20 68.33(13) . .
O17 Dy3 O20 147.57(14) . .
O23 Dy3 O20 68.43(14) . .
O19 Dy3 O20 135.36(14) . .
O16 Dy3 O20 124.04(15) . .
F4 Dy3 O21 91.39(13) . .
F5 Dy3 O21 141.71(12) . .
O17 Dy3 O21 76.64(13) . .
O23 Dy3 O21 71.07(13) . .
O19 Dy3 O21 114.34(15) . .
O16 Dy3 O21 140.99(15) . .
O20 Dy3 O21 77.59(13) . .
F4 Dy3 Cr4 76.70(11) . .
F5 Dy3 Cr4 107.61(9) . .
O17 Dy3 Cr4 34.79(10) . .
O23 Dy3 Cr4 138.66(11) . .
O19 Dy3 Cr4 66.50(10) . .
O16 Dy3 Cr4 35.31(13) . .
O20 Dy3 Cr4 152.73(9) . .
O21 Dy3 Cr4 110.68(9) . .
F4 Dy3 Cr5 110.18(11) . .
F5 Dy3 Cr5 75.41(9) . .
O17 Dy3 Cr5 140.39(10) . .
O23 Dy3 Cr5 34.06(11) . .
O19 Dy3 Cr5 107.60(10) . .
O16 Dy3 Cr5 149.96(13) . .
O20 Dy3 Cr5 34.86(9) . .
O21 Dy3 Cr5 66.59(9) . .
Cr4 Dy3 Cr5 172.33(2) . .
F4 Dy3 Dy4 85.62(11) . .
F5 Dy3 Dy4 30.53(9) . .
O17 Dy3 Dy4 165.07(9) . .
O23 Dy3 Dy4 74.28(10) . .
O19 Dy3 Dy4 107.88(11) . .
O16 Dy3 Dy4 96.36(13) . .
O20 Dy3 Dy4 37.96(9) . .
O21 Dy3 Dy4 114.45(9) . .
Cr4 Dy3 Dy4 131.63(3) . .
Cr5 Dy3 Dy4 53.93(2) . .
F4 Dy3 Dy3 30.44(10) . 4_575
F5 Dy3 Dy3 85.79(7) . 4_575
O17 Dy3 Dy3 76.11(10) . 4_575
O23 Dy3 Dy3 163.85(10) . 4_575
O19 Dy3 Dy3 110.79(10) . 4_575
O16 Dy3 Dy3 36.26(10) . 4_575
O20 Dy3 Dy3 98.78(9) . 4_575
O21 Dy3 Dy3 117.05(9) . 4_575
Cr4 Dy3 Dy3 54.060(18) . 4_575
Cr5 Dy3 Dy3 133.60(2) . 4_575
Dy4 Dy3 Dy3 89.575(5) . 4_575
F5 Dy4 F6 97.83(15) . .
F5 Dy4 O24 84.97(14) . .
F6 Dy4 O24 143.20(13) . .
F5 Dy4 O29 145.16(13) . .
F6 Dy4 O29 83.69(16) . .
O24 Dy4 O29 114.36(14) . .
F5 Dy4 O30 78.08(16) . .
F6 Dy4 O30 68.30(15) . .
O24 Dy4 O30 146.70(16) . .
O29 Dy4 O30 70.16(17) . .
F5 Dy4 O26 140.42(13) . .
F6 Dy4 O26 81.48(16) . .
O24 Dy4 O26 73.84(16) . .
O29 Dy4 O26 74.38(15) . .
O30 Dy4 O26 135.14(17) . .
F5 Dy4 O27 84.03(14) . .
F6 Dy4 O27 141.54(14) . .
O24 Dy4 O27 75.24(14) . .
O29 Dy4 O27 74.25(15) . .
O30 Dy4 O27 74.65(15) . .
O26 Dy4 O27 120.62(17) . .
F5 Dy4 O20 68.41(13) . .
F6 Dy4 O20 76.47(13) . .
O24 Dy4 O20 70.51(13) . .
O29 Dy4 O20 143.89(15) . .
O30 Dy4 O20 126.73(14) . .
O26 Dy4 O20 73.07(14) . .
O27 Dy4 O20 137.25(13) . .
F5 Dy4 Cr6 111.40(8) . .
F6 Dy4 Cr6 76.95(10) . .
O24 Dy4 Cr6 136.11(10) . .
O29 Dy4 Cr6 34.79(11) . .
O30 Dy4 Cr6 35.76(13) . .
O26 Dy4 Cr6 106.98(11) . .
O27 Dy4 Cr6 66.89(10) . .
O20 Dy4 Cr6 153.09(9) . .
F5 Dy4 Cr5 77.07(8) . .
F6 Dy4 Cr5 109.77(10) . .
O24 Dy4 Cr5 34.91(10) . .
O29 Dy4 Cr5 135.30(10) . .
O30 Dy4 Cr5 154.53(14) . .
O26 Dy4 Cr5 66.34(11) . .
O27 Dy4 Cr5 108.07(10) . .
O20 Dy4 Cr5 35.87(9) . .
Cr6 Dy4 Cr5 168.86(2) . .
F5 Dy4 Dy4 86.45(8) . 4_575
F6 Dy4 Dy4 31.53(10) . 4_575
O24 Dy4 Dy4 168.63(10) . 4_575
O29 Dy4 Dy4 76.82(10) . 4_575
O30 Dy4 Dy4 36.88(11) . 4_575
O26 Dy4 Dy4 108.78(11) . 4_575
O27 Dy4 Dy4 111.25(11) . 4_575
O20 Dy4 Dy4 99.35(9) . 4_575
Cr6 Dy4 Dy4 54.499(15) . 4_575
Cr5 Dy4 Dy4 135.219(18) . 4_575
F5 Dy4 Dy3 31.11(8) . .
F6 Dy4 Dy3 85.33(12) . .
O24 Dy4 Dy3 78.39(10) . .
O29 Dy4 Dy3 167.24(10) . .
O30 Dy4 Dy3 99.67(13) . .
O26 Dy4 Dy3 110.38(11) . .
O27 Dy4 Dy3 111.24(11) . .
O20 Dy4 Dy3 37.45(10) . .
Cr6 Dy4 Dy3 135.42(2) . .
Cr5 Dy4 Dy3 55.27(2) . .
Dy4 Dy4 Dy3 90.425(5) 4_575 .
O2 Cr1 O2 91.5(3) . 4_575
O2 Cr1 O3 90.2(2) . .
O2 Cr1 O3 177.8(2) 4_575 .
O2 Cr1 O3 177.8(2) . 4_575
O2 Cr1 O3 90.2(2) 4_575 4_575
O3 Cr1 O3 88.0(3) . 4_575
O2 Cr1 O1 87.52(18) . .
O2 Cr1 O1 87.52(18) 4_575 .
O3 Cr1 O1 93.9(2) . .
O3 Cr1 O1 93.9(2) 4_575 .
O2 Cr1 N1 83.1(2) . .
O2 Cr1 N1 83.1(2) 4_575 .
O3 Cr1 N1 95.8(3) . .
O3 Cr1 N1 95.8(3) 4_575 .
O1 Cr1 N1 166.5(3) . .
O2 Cr1 Dy1 94.98(15) . 4_575
O2 Cr1 Dy1 42.03(13) 4_575 4_575
O3 Cr1 Dy1 139.07(16) . 4_575
O3 Cr1 Dy1 87.19(15) 4_575 4_575
O1 Cr1 Dy1 46.05(10) . 4_575
N1 Cr1 Dy1 125.1(2) . 4_575
O2 Cr1 Dy1 42.03(13) . .
O2 Cr1 Dy1 94.98(15) 4_575 .
O3 Cr1 Dy1 87.19(15) . .
O3 Cr1 Dy1 139.07(16) 4_575 .
O1 Cr1 Dy1 46.05(10) . .
N1 Cr1 Dy1 125.1(2) . .
Dy1 Cr1 Dy1 70.76(3) 4_575 .
O9 Cr2 O5 92.12(18) . .
O9 Cr2 O8 89.15(15) . .
O5 Cr2 O8 87.44(16) . .
O9 Cr2 O7 175.83(17) . .
O5 Cr2 O7 90.52(17) . .
O8 Cr2 O7 94.20(16) . .
O9 Cr2 O10 87.48(18) . .
O5 Cr2 O10 176.92(17) . .
O8 Cr2 O10 95.61(17) . .
O7 Cr2 O10 89.72(17) . .
O9 Cr2 N2 83.50(17) . .
O5 Cr2 N2 84.2(2) . .
O8 Cr2 N2 168.6(2) . .
O7 Cr2 N2 93.56(18) . .
O10 Cr2 N2 92.8(2) . .
O9 Cr2 Dy2 41.97(11) . .
O5 Cr2 Dy2 93.79(11) . .
O8 Cr2 Dy2 47.46(11) . .
O7 Cr2 Dy2 141.03(12) . .
O10 Cr2 Dy2 87.96(12) . .
N2 Cr2 Dy2 125.41(14) . .
O9 Cr2 Dy1 98.09(12) . .
O5 Cr2 Dy1 41.91(12) . .
O8 Cr2 Dy1 46.45(11) . .
O7 Cr2 Dy1 86.03(12) . .
O10 Cr2 Dy1 141.17(13) . .
N2 Cr2 Dy1 126.01(17) . .
Dy2 Cr2 Dy1 72.16(3) . .
O12 Cr3 O12 92.0(3) . 4_575
O12 Cr3 O15 87.79(16) . .
O12 Cr3 O15 87.79(16) 4_575 .
O12 Cr3 O14 89.75(17) . .
O12 Cr3 O14 177.49(16) 4_575 .
O15 Cr3 O14 94.02(17) . .
O12 Cr3 O14 177.49(16) . 4_575
O12 Cr3 O14 89.75(17) 4_575 4_575
O15 Cr3 O14 94.02(17) . 4_575
O14 Cr3 O14 88.4(2) . 4_575
O12 Cr3 N3 83.7(2) . .
O12 Cr3 N3 83.7(2) 4_575 .
O15 Cr3 N3 167.7(3) . .
O14 Cr3 N3 94.8(2) . .
O14 Cr3 N3 94.8(2) 4_575 .
O12 Cr3 Dy2 42.16(11) . .
O12 Cr3 Dy2 95.55(12) 4_575 .
O15 Cr3 Dy2 46.20(9) . .
O14 Cr3 Dy2 86.95(11) . .
O14 Cr3 Dy2 139.35(13) 4_575 .
N3 Cr3 Dy2 125.86(17) . .
O12 Cr3 Dy2 95.55(12) . 4_575
O12 Cr3 Dy2 42.16(11) 4_575 4_575
O15 Cr3 Dy2 46.20(9) . 4_575
O14 Cr3 Dy2 139.35(13) . 4_575
O14 Cr3 Dy2 86.95(11) 4_575 4_575
N3 Cr3 Dy2 125.86(17) . 4_575
Dy2 Cr3 Dy2 71.22(3) . 4_575
O16 Cr4 O17 87.69(16) . .
O16 Cr4 O17 87.69(16) . 4_575
O17 Cr4 O17 92.0(3) . 4_575
O16 Cr4 O18 94.42(18) . 4_575
O17 Cr4 O18 177.52(19) . 4_575
O17 Cr4 O18 89.39(18) 4_575 4_575
O16 Cr4 O18 94.42(18) . .
O17 Cr4 O18 89.39(18) . .
O17 Cr4 O18 177.52(19) 4_575 .
O18 Cr4 O18 89.1(3) 4_575 .
O16 Cr4 N4 168.0(3) . .
O17 Cr4 N4 84.0(2) . .
O17 Cr4 N4 84.0(2) 4_575 .
O18 Cr4 N4 94.1(2) 4_575 .
O18 Cr4 N4 94.1(2) . .
O16 Cr4 Dy3 46.02(9) . .
O17 Cr4 Dy3 42.36(11) . .
O17 Cr4 Dy3 96.06(13) 4_575 .
O18 Cr4 Dy3 139.49(15) 4_575 .
O18 Cr4 Dy3 86.36(13) . .
N4 Cr4 Dy3 126.37(18) . .
O16 Cr4 Dy3 46.02(9) . 4_575
O17 Cr4 Dy3 96.06(13) . 4_575
O17 Cr4 Dy3 42.36(11) 4_575 4_575
O18 Cr4 Dy3 86.36(13) 4_575 4_575
O18 Cr4 Dy3 139.49(15) . 4_575
N4 Cr4 Dy3 126.37(18) . 4_575
Dy3 Cr4 Dy3 71.88(4) . 4_575
O23 Cr5 O24 91.37(19) . .
O23 Cr5 O20 86.79(17) . .
O24 Cr5 O20 89.34(16) . .
O23 Cr5 O22 89.32(18) . .
O24 Cr5 O22 176.49(17) . .
O20 Cr5 O22 94.13(16) . .
O23 Cr5 O25 178.16(18) . .
O24 Cr5 O25 87.79(18) . .
O20 Cr5 O25 94.84(18) . .
O22 Cr5 O25 91.42(18) . .
O23 Cr5 N5 84.2(2) . .
O24 Cr5 N5 83.7(2) . .
O20 Cr5 N5 168.4(2) . .
O22 Cr5 N5 93.0(2) . .
O25 Cr5 N5 94.1(2) . .
O23 Cr5 Dy4 93.39(12) . .
O24 Cr5 Dy4 42.18(12) . .
O20 Cr5 Dy4 47.53(11) . .
O22 Cr5 Dy4 141.20(13) . .
O25 Cr5 Dy4 87.09(13) . .
N5 Cr5 Dy4 125.84(16) . .
O23 Cr5 Dy3 42.10(11) . .
O24 Cr5 Dy3 96.59(13) . .
O20 Cr5 Dy3 45.36(12) . .
O22 Cr5 Dy3 86.23(13) . .
O25 Cr5 Dy3 139.64(13) . .
N5 Cr5 Dy3 126.25(19) . .
Dy4 Cr5 Dy3 70.80(3) . .
O29 Cr6 O29 92.6(3) . 4_575
O29 Cr6 O30 87.90(17) . .
O29 Cr6 O30 87.90(17) 4_575 .
O29 Cr6 O28 88.73(18) . .
O29 Cr6 O28 177.29(17) 4_575 .
O30 Cr6 O28 94.53(18) . .
O29 Cr6 O28 177.29(17) . 4_575
O29 Cr6 O28 88.73(18) 4_575 4_575
O30 Cr6 O28 94.53(18) . 4_575
O28 Cr6 O28 89.9(3) . 4_575
O29 Cr6 N6 83.0(2) . .
O29 Cr6 N6 83.0(2) 4_575 .
O30 Cr6 N6 166.8(3) . .
O28 Cr6 N6 94.8(2) . .
O28 Cr6 N6 94.8(2) 4_575 .
O29 Cr6 Dy4 42.52(12) . .
O29 Cr6 Dy4 95.87(12) 4_575 .
O30 Cr6 Dy4 45.92(10) . .
O28 Cr6 Dy4 86.69(12) . .
O28 Cr6 Dy4 139.70(14) 4_575 .
N6 Cr6 Dy4 125.51(17) . .
O29 Cr6 Dy4 95.87(12) . 4_575
O29 Cr6 Dy4 42.52(12) 4_575 4_575
O30 Cr6 Dy4 45.92(10) . 4_575
O28 Cr6 Dy4 139.70(14) . 4_575
O28 Cr6 Dy4 86.69(12) 4_575 4_575
N6 Cr6 Dy4 125.51(17) . 4_575
Dy4 Cr6 Dy4 71.00(3) . 4_575
Dy1 F1 Dy1 118.53(19) . 4_575
Dy1 F2 Dy2 118.49(15) . .
Dy2 F3 Dy2 117.2(2) . 4_575
Dy3 F4 Dy3 119.12(19) . 4_575
Dy4 F5 Dy3 118.36(15) . .
Dy4 F6 Dy4 116.9(2) . 4_575
C1 O1 Cr1 115.7(12) . .
C1 O1 Dy1 118.0(5) . .
Cr1 O1 Dy1 98.15(17) . .
C1 O1 Dy1 118.0(5) . 4_575
Cr1 O1 Dy1 98.15(17) . 4_575
Dy1 O1 Dy1 105.5(2) . 4_575
C2' O2 C2 39.3(10) . .
C2' O2 Cr1 118.2(8) . .
C2 O2 Cr1 109.7(9) . .
C2' O2 Dy1 135.9(8) . .
C2 O2 Dy1 136.5(8) . .
Cr1 O2 Dy1 103.71(19) . .
C5 O3 Cr1 125.1(4) . .
C5 O4 Dy1 133.7(5) . .
C12 O5 Cr2 111.9(4) . .
C12 O5 Dy1 135.3(4) . .
Cr2 O5 Dy1 103.61(17) . .
C15 O6 Dy1 134.8(3) . .
C15 O7 Cr2 125.4(4) . .
C22 O8 Cr2 112.9(4) . .
C22 O8 Dy1 118.7(4) . .
Cr2 O8 Dy1 98.32(15) . .
C22 O8 Dy2 120.0(4) . .
Cr2 O8 Dy2 96.67(14) . .
Dy1 O8 Dy2 106.06(15) . .
C24 O9 Cr2 116.7(3) . .
C24 O9 Dy2 140.0(3) . .
Cr2 O9 Dy2 103.27(15) . .
C25 O10 Cr2 124.5(4) . .
C25 O11 Dy2 133.4(4) . .
C32 O12 C32' 23.0(8) . .
C32 O12 Cr3 109.9(7) . .
C32' O12 Cr3 116.3(8) . .
C32 O12 Dy2 138.5(7) . .
C32' O12 Dy2 140.9(8) . .
Cr3 O12 Dy2 102.79(18) . .
C35 O13 Dy2 134.9(4) . .
C35 O14 Cr3 125.2(3) . .
Cr3 O15 Dy2 97.89(17) . .
Cr3 O15 Dy2 97.89(17) . 4_575
Dy2 O15 Dy2 106.10(19) . 4_575
Cr4 O16 Dy3 98.67(16) . .
Cr4 O16 Dy3 98.67(16) . 4_575
Dy3 O16 Dy3 107.5(2) . 4_575
C42' O17 C42 17(2) . .
C42' O17 Cr4 114.8(9) . .
C42 O17 Cr4 113.3(10) . .
C42' O17 Dy3 137.8(8) . .
C42 O17 Dy3 143.8(11) . .
Cr4 O17 Dy3 102.85(16) . .
C45 O18 Cr4 125.5(4) . .
C45 O19 Dy3 135.8(4) . .
C52 O20 Cr5 113.2(4) . .
C52 O20 Dy3 118.5(5) . .
Cr5 O20 Dy3 99.77(16) . .
C52 O20 Dy4 120.3(5) . .
Cr5 O20 Dy4 96.61(15) . .
Dy3 O20 Dy4 104.59(14) . .
C53 O21 Dy3 132.6(3) . .
C53 O22 Cr5 125.4(4) . .
C60 O23 C60' 17.2(13) . .
C60 O23 Cr5 111.5(8) . .
C60' O23 Cr5 120.3(9) . .
C60 O23 Dy3 144.6(8) . .
C60' O23 Dy3 133.3(8) . .
Cr5 O23 Dy3 103.85(17) . .
C64' O24 C64 27.8(10) . .
C64' O24 Cr5 115.3(7) . .
C64 O24 Cr5 112.1(8) . .
C64' O24 Dy4 139.7(7) . .
C64 O24 Dy4 141.3(9) . .
Cr5 O24 Dy4 102.91(16) . .
C65 O25 Cr5 124.8(4) . .
C65 O26 Dy4 133.3(4) . .
C72 O27 Dy4 131.9(4) . .
C72 O28 Cr6 125.1(4) . .
C79 O29 Cr6 115.8(4) . .
C79 O29 Dy4 139.2(4) . .
Cr6 O29 Dy4 102.69(18) . .
Cr6 O30 Dy4 98.32(18) . .
Cr6 O30 Dy4 98.32(18) . 4_575
Dy4 O30 Dy4 106.2(2) . 4_575
C3 N1 C3 80.3(19) 4_575 .
C3 N1 C4 131.6(10) 4_575 .
C3 N1 C4 114.8(10) . .
C3 N1 C4 114.8(10) 4_575 4_575
C3 N1 C4 131.6(10) . 4_575
C4 N1 C4 21.9(7) . 4_575
C3 N1 C3' 116.2(17) 4_575 .
C3 N1 C3' 36.1(9) . .
C4 N1 C3' 86.4(9) . .
C4 N1 C3' 107.8(9) 4_575 .
C3 N1 C3' 36.1(9) 4_575 4_575
C3 N1 C3' 116.2(17) . 4_575
C4 N1 C3' 107.8(9) . 4_575
C4 N1 C3' 86.4(9) 4_575 4_575
C3' N1 C3' 151(2) . 4_575
C3 N1 Cr1 107.6(8) 4_575 .
C3 N1 Cr1 107.6(8) . .
C4 N1 Cr1 110.1(9) . .
C4 N1 Cr1 110.1(9) 4_575 .
C3' N1 Cr1 99.2(8) . .
C3' N1 Cr1 99.2(8) 4_575 .
C14 N2 C23 111.9(5) . .
C14 N2 C13 110.4(5) . .
C23 N2 C13 109.8(5) . .
C14 N2 Cr2 114.9(4) . .
C23 N2 Cr2 104.1(3) . .
C13 N2 Cr2 105.4(4) . .
C33' N3 C33' 143.0(18) . 4_575
C33' N3 C33 28.2(8) . .
C33' N3 C33 116.4(14) 4_575 .
C33' N3 C33 116.4(14) . 4_575
C33' N3 C33 28.2(8) 4_575 4_575
C33 N3 C33 88.7(15) . 4_575
C33' N3 C34 86.7(9) . .
C33' N3 C34 110.9(9) 4_575 .
C33 N3 C34 109.6(8) . .
C33 N3 C34 129.9(9) 4_575 .
C33' N3 C34 110.9(9) . 4_575
C33' N3 C34 86.7(9) 4_575 4_575
C33 N3 C34 129.9(9) . 4_575
C33 N3 C34 109.6(8) 4_575 4_575
C34 N3 C34 25.3(7) . 4_575
C33' N3 Cr3 101.8(7) . .
C33' N3 Cr3 101.8(7) 4_575 .
C33 N3 Cr3 107.4(6) . .
C33 N3 Cr3 107.4(6) 4_575 .
C34 N3 Cr3 110.3(7) . .
C34 N3 Cr3 110.3(7) 4_575 .
C43' N4 C43' 69.9(16) . 4_575
C43' N4 C44 129.5(10) . 4_575
C43' N4 C44 114.1(10) 4_575 4_575
C43' N4 C44 114.1(10) . .
C43' N4 C44 129.5(10) 4_575 .
C44 N4 C44 23.0(8) 4_575 .
C43' N4 C43 40.2(8) . .
C43' N4 C43 109.3(12) 4_575 .
C44 N4 C43 105.1(8) 4_575 .
C44 N4 C43 83.1(8) . .
C43' N4 C43 109.3(12) . 4_575
C43' N4 C43 40.2(8) 4_575 4_575
C44 N4 C43 83.1(8) 4_575 4_575
C44 N4 C43 105.1(8) . 4_575
C43 N4 C43 145.5(13) . 4_575
C43' N4 Cr4 107.0(7) . .
C43' N4 Cr4 107.0(7) 4_575 .
C44 N4 Cr4 117.9(9) 4_575 .
C44 N4 Cr4 117.9(9) . .
C43 N4 Cr4 102.6(5) . .
C43 N4 Cr4 102.6(5) 4_575 .
C62 N5 C63' 96.2(17) . .
C62 N5 C61 112.8(10) . .
C63' N5 C61 133.5(15) . .
C62 N5 C63 106.6(16) . .
C63' N5 C63 20.4(19) . .
C61 N5 C63 113.2(13) . .
C62 N5 C62' 18.4(10) . .
C63' N5 C62' 111.6(16) . .
C61 N5 C62' 94.5(10) . .
C63 N5 C62' 117.7(14) . .
C62 N5 C61' 125.2(14) . .
C63' N5 C61' 113.1(16) . .
C61 N5 C61' 20.5(11) . .
C63 N5 C61' 93.0(15) . .
C62' N5 C61' 108.1(14) . .
C62 N5 Cr5 113.0(14) . .
C63' N5 Cr5 98.6(9) . .
C61 N5 Cr5 102.0(6) . .
C63 N5 Cr5 109.3(6) . .
C62' N5 Cr5 118.1(14) . .
C61' N5 Cr5 107.2(9) . .
C80' N6 C80' 141.4(18) . 4_575
C80' N6 C81 81.4(8) . .
C80' N6 C81 111.7(9) 4_575 .
C80' N6 C81 111.7(9) . 4_575
C80' N6 C81 81.4(8) 4_575 4_575
C81 N6 C81 31.8(7) . 4_575
C80' N6 C80 37.2(9) . .
C80' N6 C80 108.0(15) 4_575 .
C81 N6 C80 112.8(10) . .
C81 N6 C80 135.2(10) 4_575 .
C80' N6 C80 108.0(15) . 4_575
C80' N6 C80 37.2(9) 4_575 4_575
C81 N6 C80 135.2(10) . 4_575
C81 N6 C80 112.8(10) 4_575 4_575
C80 N6 C80 71.7(17) . 4_575
C80' N6 Cr6 103.3(7) . .
C80' N6 Cr6 103.3(7) 4_575 .
C81 N6 Cr6 114.7(8) . .
C81 N6 Cr6 114.7(8) 4_575 .
C80 N6 Cr6 105.7(7) . .
C80 N6 Cr6 105.7(7) 4_575 .
O2 C2 C3 109.8(14) . .
O2 C2' C3' 107.9(13) . .
N1 C3 C2 111.9(14) . .
C2' C3' N1 111.4(14) . .
O4 C5 O3 127.5(7) . .
O4 C5 C6 118.0(7) . .
O3 C5 C6 114.4(6) . .
C7 C6 C11 119.3(7) . .
C7 C6 C5 120.7(7) . .
C11 C6 C5 119.9(7) . .
C6 C7 C8 119.1(7) . .
C9 C8 C7 121.0(8) . .
C10 C9 C8 119.9(8) . .
C9 C10 C11 120.8(8) . .
C10 C11 C6 119.9(9) . .
O5 C12 C13 108.9(5) . .
C12 C13 N2 110.2(5) . .
O6 C15 O7 126.1(5) . .
O6 C15 C16 119.2(5) . .
O7 C15 C16 114.7(5) . .
C21 C16 C17 119.7(6) . .
C21 C16 C15 120.1(6) . .
C17 C16 C15 120.2(6) . .
C18 C17 C16 123.2(10) . .
C17 C18 C19 115.6(11) . .
C20 C19 C18 123.3(9) . .
C19 C20 C21 119.5(11) . .
C16 C21 C20 118.6(9) . .
N2 C23 C24 110.1(4) . .
O9 C24 C23 108.4(4) . .
O11 C25 O10 125.1(6) . .
O11 C25 C26 120.1(6) . .
O10 C25 C26 114.7(6) . .
C27 C26 C31 120.3(8) . .
C27 C26 C25 121.0(7) . .
C31 C26 C25 118.6(8) . .
C26 C27 C28 119.1(10) . .
C29 C28 C27 123.5(12) . .
C28 C29 C30 119.8(11) . .
C29 C30 C31 120.1(12) . .
C26 C31 C30 117.1(12) . .
O12 C32 C33 112.1(12) . .
O12 C32' C33' 103.3(13) . .
N3 C33 C32 107.4(11) . .
N3 C33' C32' 110.6(14) . .
O13 C35 O14 125.4(5) . .
O13 C35 C36 119.1(5) . .
O14 C35 C36 115.4(5) . .
C41 C36 C37 119.4(5) . .
C41 C36 C35 120.2(5) . .
C37 C36 C35 120.3(5) . .
C38 C37 C36 119.6(5) . .
C37 C38 C39 120.6(6) . .
C40 C39 C38 119.4(6) . .
C39 C40 C41 121.1(6) . .
C36 C41 C40 119.8(5) . .
O17 C42 C43 110.0(17) . .
O17 C42' C43' 107.8(12) . .
N4 C43 C42 99.6(16) . .
N4 C43' C42' 108.1(14) . .
O19 C45 O18 125.5(6) . .
O19 C45 C46 119.1(6) . .
O18 C45 C46 115.4(6) . .
C47 C46 C51 119.6(6) . .
C47 C46 C45 119.9(6) . .
C51 C46 C45 120.5(6) . .
C48 C47 C46 119.1(7) . .
C47 C48 C49 122.0(7) . .
C50 C49 C48 119.4(7) . .
C49 C50 C51 121.1(7) . .
C50 C51 C46 118.6(7) . .
O21 C53 O22 126.2(5) . .
O21 C53 C54 119.0(5) . .
O22 C53 C54 114.7(5) . .
C55 C54 C59 118.8(5) . .
C55 C54 C53 121.2(5) . .
C59 C54 C53 119.9(6) . .
C54 C55 C56 121.3(6) . .
C57 C56 C55 119.6(6) . .
C56 C57 C58 120.3(6) . .
C57 C58 C59 119.9(6) . .
C54 C59 C58 119.9(6) . .
O23 C60 C61 110.5(18) . .
O23 C60' C61' 109.9(19) . .
N5 C61 C60 104.4(13) . .
C60' C61' N5 116.2(19) . .
C64 C63 N5 110.6(16) . .
N5 C63' C64' 114(3) . .
O24 C64 C63 113.3(15) . .
O24 C64' C63' 103.4(15) . .
O25 C65 O26 126.5(6) . .
O25 C65 C66 118.4(6) . .
O26 C65 C66 115.1(6) . .
C67 C66 C71 117.5(11) . .
C67 C66 C71' 114.8(10) . .
C71 C66 C71' 41.0(9) . .
C67 C66 C65 121.8(8) . .
C71 C66 C65 115.9(11) . .
C71' C66 C65 120.1(9) . .
C66 C67 C68 120.3(11) . .
C69 C68 C67 119.3(17) . .
C69 C68 C69' 29.6(6) . .
C67 C68 C69' 120.1(15) . .
C70 C69 C68 117(2) . .
C70' C69' C68 120.6(18) . .
C69 C70 C71 128(2) . .
C69' C70' C71' 119.0(19) . .
C70 C71 C66 113.3(19) . .
C70' C71' C66 122.1(15) . .
O27 C72 O28 126.7(6) . .
O27 C72 C73 117.9(6) . .
O28 C72 C73 115.4(5) . .
C74 C73 C78 119.5(6) . .
C74 C73 C72 121.2(6) . .
C78 C73 C72 119.2(6) . .
C73 C74 C75 120.2(7) . .
C76 C75 C74 119.3(9) . .
C75 C76 C77 120.4(7) . .
C78 C77 C76 120.5(8) . .
C77 C78 C73 119.9(8) . .
O29 C79 C80 108.9(8) . .
C79 C80 N6 110.4(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 F1 2.245(2) .
Dy1 F2 2.267(3) .
Dy1 O2 2.297(4) .
Dy1 O5 2.297(4) .
Dy1 O6 2.402(4) .
Dy1 O1 2.424(4) .
Dy1 O4 2.426(5) .
Dy1 O8 2.448(4) .
Dy1 Cr1 3.3330(13) .
Dy1 Cr2 3.3419(11) .
Dy1 Dy1 3.8594(9) 4_575
Dy1 Dy2 3.9129(10) .
Dy2 F3 2.259(2) .
Dy2 O9 2.268(4) .
Dy2 O12 2.279(4) .
Dy2 F2 2.286(3) .
Dy2 O13 2.404(4) .
Dy2 O15 2.413(3) .
Dy2 O11 2.440(4) .
Dy2 O8 2.449(4) .
Dy2 Cr2 3.3018(10) .
Dy2 Cr3 3.3122(11) .
Dy2 Dy2 3.8573(9) 4_575
Dy3 F4 2.260(2) .
Dy3 F5 2.268(3) .
Dy3 O17 2.294(4) .
Dy3 O23 2.322(4) .
Dy3 O19 2.393(4) .
Dy3 O16 2.417(3) .
Dy3 O20 2.428(4) .
Dy3 O21 2.448(4) .
Dy3 Cr4 3.3203(14) .
Dy3 Cr5 3.3622(12) .
Dy3 Dy4 3.8633(14) .
Dy3 Dy3 3.8976(9) 4_575
Dy4 F5 2.230(4) .
Dy4 F6 2.253(2) .
Dy4 O24 2.278(4) .
Dy4 O29 2.290(4) .
Dy4 O30 2.401(3) .
Dy4 O26 2.419(4) .
Dy4 O27 2.432(4) .
Dy4 O20 2.455(4) .
Dy4 Cr6 3.3065(11) .
Dy4 Cr5 3.3067(10) .
Dy4 Dy4 3.8403(9) 4_575
Cr1 O2 1.932(5) .
Cr1 O2 1.932(5) 4_575
Cr1 O3 1.968(5) .
Cr1 O3 1.968(5) 4_575
Cr1 O1 1.969(6) .
Cr1 N1 2.108(9) .
Cr1 Dy1 3.3330(13) 4_575
Cr2 O9 1.934(4) .
Cr2 O5 1.946(4) .
Cr2 O8 1.948(4) .
Cr2 O7 1.986(4) .
Cr2 O10 1.998(4) .
Cr2 N2 2.090(5) .
Cr3 O12 1.951(4) .
Cr3 O12 1.951(4) 4_575
Cr3 O15 1.961(5) .
Cr3 O14 2.004(4) .
Cr3 O14 2.004(4) 4_575
Cr3 N3 2.110(8) .
Cr3 Dy2 3.3122(11) 4_575
Cr4 O16 1.941(6) .
Cr4 O17 1.943(4) .
Cr4 O17 1.943(4) 4_575
Cr4 O18 1.994(4) 4_575
Cr4 O18 1.994(4) .
Cr4 N4 2.082(7) .
Cr4 Dy3 3.3203(14) 4_575
Cr5 O23 1.939(5) .
Cr5 O24 1.941(4) .
Cr5 O20 1.950(4) .
Cr5 O22 1.976(4) .
Cr5 O25 2.005(5) .
Cr5 N5 2.097(5) .
Cr6 O29 1.934(4) .
Cr6 O29 1.934(4) 4_575
Cr6 O30 1.953(6) .
Cr6 O28 1.988(4) .
Cr6 O28 1.988(4) 4_575
Cr6 N6 2.101(8) .
Cr6 Dy4 3.3065(11) 4_575
F1 Dy1 2.245(2) 4_575
F3 Dy2 2.259(2) 4_575
F4 Dy3 2.260(2) 4_575
F6 Dy4 2.253(2) 4_575
O1 C1 1.28(2) .
O1 Dy1 2.424(4) 4_575
O2 C2' 1.409(15) .
O2 C2 1.431(16) .
O2S C2S 1.359(9) .
O3 C5 1.279(9) .
O3S C3S 1.42(4) .
O4 C5 1.252(8) .
O5 C12 1.398(7) .
O6 C15 1.249(7) .
O7 C15 1.280(7) .
O8 C22 1.443(11) .
O9 C24 1.409(6) .
O10 C25 1.273(8) .
O11 C25 1.272(8) .
O12 C32 1.362(17) .
O12 C32' 1.480(19) .
O13 C35 1.270(6) .
O14 C35 1.280(7) .
O15 Dy2 2.413(3) 4_575
O16 Dy3 2.417(3) 4_575
O17 C42' 1.34(2) .
O17 C42 1.38(2) .
O18 C45 1.290(8) .
O19 C45 1.243(8) .
O20 C52 1.466(11) .
O21 C53 1.255(7) .
O22 C53 1.300(7) .
O23 C60 1.39(3) .
O23 C60' 1.44(2) .
O24 C64' 1.355(16) .
O24 C64 1.436(18) .
O25 C65 1.252(8) .
O26 C65 1.272(8) .
O27 C72 1.244(7) .
O28 C72 1.280(8) .
O29 C79 1.395(8) .
O30 Dy4 2.401(3) 4_575
N1 C3 1.44(2) 4_575
N1 C3 1.44(2) .
N1 C4 1.536(17) .
N1 C4 1.536(17) 4_575
N1 C3' 1.55(2) .
N1 C3' 1.55(2) 4_575
N2 C14 1.468(8) .
N2 C23 1.482(7) .
N2 C13 1.549(9) .
N3 C33' 1.453(18) .
N3 C33' 1.453(18) 4_575
N3 C33 1.510(15) .
N3 C33 1.510(15) 4_575
N3 C34 1.550(14) .
N3 C34 1.550(14) 4_575
N4 C43' 1.477(18) .
N4 C43' 1.477(17) 4_575
N4 C44 1.480(16) 4_575
N4 C44 1.480(16) .
N4 C43 1.557(13) .
N4 C43 1.557(13) 4_575
N5 C62 1.47(3) .
N5 C63' 1.47(3) .
N5 C61 1.47(2) .
N5 C63 1.49(2) .
N5 C62' 1.51(3) .
N5 C61' 1.58(3) .
N6 C80' 1.461(15) .
N6 C80' 1.461(15) 4_575
N6 C81 1.472(14) .
N6 C81 1.472(14) 4_575
N6 C80 1.53(2) .
N6 C80 1.53(2) 4_575
C2 C3 1.47(2) .
C2' C3' 1.51(3) .
C5 C6 1.501(10) .
C6 C7 1.356(10) .
C6 C11 1.411(10) .
C7 C8 1.418(10) .
C8 C9 1.359(11) .
C9 C10 1.351(12) .
C10 C11 1.381(11) .
C12 C13 1.484(9) .
C15 C16 1.485(7) .
C16 C21 1.383(11) .
C16 C17 1.383(10) .
C17 C18 1.376(11) .
C18 C19 1.40(2) .
C19 C20 1.364(19) .
C20 C21 1.407(10) .
C23 C24 1.531(7) .
C25 C26 1.473(10) .
C26 C27 1.379(11) .
C26 C31 1.398(13) .
C27 C28 1.427(12) .
C28 C29 1.269(16) .
C29 C30 1.416(19) .
C30 C31 1.454(14) .
C32 C33 1.53(2) .
C32' C33' 1.59(3) .
C35 C36 1.484(7) .
C36 C41 1.385(8) .
C36 C37 1.399(7) .
C37 C38 1.386(8) .
C38 C39 1.388(9) .
C39 C40 1.366(8) .
C40 C41 1.389(8) .
C42 C43 1.601(19) .
C42' C43' 1.607(19) .
C45 C46 1.490(9) .
C46 C47 1.401(9) .
C46 C51 1.418(9) .
C47 C48 1.371(10) .
C48 C49 1.375(11) .
C49 C50 1.372(11) .
C50 C51 1.394(10) .
C53 C54 1.502(7) .
C54 C55 1.370(8) .
C54 C59 1.403(8) .
C55 C56 1.404(8) .
C56 C57 1.372(9) .
C57 C58 1.384(10) .
C58 C59 1.404(8) .
C60 C61 1.529(16) .
C60' C61' 1.511(17) .
C63 C64 1.48(2) .
C63' C64' 1.48(2) .
C65 C66 1.522(10) .
C66 C67 1.346(13) .
C66 C71 1.390(16) .
C66 C71' 1.420(15) .
C67 C68 1.388(13) .
C68 C69 1.34(2) .
C68 C69' 1.39(2) .
C69 C70 1.27(2) .
C69' C70' 1.29(2) .
C70 C71 1.386(19) .
C70' C71' 1.406(19) .
C72 C73 1.519(8) .
C73 C74 1.362(10) .
C73 C78 1.414(8) .
C74 C75 1.408(10) .
C75 C76 1.370(13) .
C76 C77 1.383(13) .
C77 C78 1.356(10) .
C79 C80 1.480(17) .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.000 2308 518 ' '
2 0.056 0.750 0.552 47 11 ' '
3 0.138 0.566 0.313 14 2 ' '
4 0.138 0.934 0.313 14 2 ' '
5 0.861 0.066 0.687 14 2 ' '
6 0.862 0.434 0.687 14 2 ' '
7 0.944 0.250 0.448 47 13 ' '
