#------------------------------------------------------------------------------
#$Date: 2015-12-08 15:58:30 +0200 (Tue, 08 Dec 2015) $
#$Revision: 170884 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/52/7055214.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_7055214
loop_
_publ_author_name
'Li, Yun'
'Wang, Ning'
'Xiong, Yan-Ju'
'Cheng, Qian'
'Fang, Jie-Fang'
'Zhu, Fei-Fei'
'Long, Yi'
'Yue, Shan-Tang'
_publ_section_title
;
 Lanthanide metal--organic frameworks based on the
 4,4′-oxybisbenzoic acid ligand: synthesis, structures and physical
 properties
;
_journal_issue                   12
_journal_name_full               'New J. Chem.'
_journal_page_first              9872
_journal_paper_doi               10.1039/C5NJ01930C
_journal_volume                  39
_journal_year                    2015
_chemical_formula_moiety         'C87 H59 Dy4 N O33'
_chemical_formula_sum            'C87 H59 Dy4 N O33'
_chemical_formula_weight         2296.36
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-10-01 deposited with the CCDC.
2015-10-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 108.092(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.970(4)
_cell_length_b                   28.166(7)
_cell_length_c                   23.583(6)
_cell_measurement_reflns_used    9241
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      21.05
_cell_measurement_theta_min      2.32
_cell_volume                     10083(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0954
_diffrn_reflns_av_unetI/netI     0.0780
_diffrn_reflns_laue_measured_fraction_full 1.000
_diffrn_reflns_laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            97124
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.250
_diffrn_reflns_theta_min         1.546
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    3.004
_exptl_absorpt_correction_T_max  0.501
_exptl_absorpt_correction_T_min  0.435
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.513
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4464
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.23
_refine_diff_density_max         1.434
_refine_diff_density_min         -1.087
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1113
_refine_ls_number_reflns         18257
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.091
_refine_ls_R_factor_all          0.0686
_refine_ls_R_factor_gt           0.0476
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0001P)²+15.9007P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1017
_refine_ls_wR_factor_ref         0.1089
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13141
_reflns_number_total             18265
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5nj01930c2.cif
_cod_data_source_block           8
_cod_database_code               7055214
_audit_block_doi                 10.5517/cc1j7h7h
_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.
;
_platon_squeeze_void_probe_radius 1.20
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, 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
C1 C 0.3318(5) 0.0310(3) 0.7690(3) 0.0441(18) Uani 1 1 d . .
C2 C 0.3692(5) -0.0073(2) 0.7399(3) 0.0438(18) Uani 1 1 d . .
C3 C 0.3804(6) -0.0533(3) 0.7631(4) 0.069(3) Uani 1 1 d . .
H3 H 0.3688 -0.0598 0.7986 0.083 Uiso 1 1 calc R U
C4 C 0.3891(5) 0.0010(3) 0.6893(4) 0.055(2) Uani 1 1 d . .
H4 H 0.3846 0.0318 0.6746 0.066 Uiso 1 1 calc R U
C5 C 0.4084(7) -0.0889(3) 0.7338(4) 0.075(3) Uani 1 1 d . .
H5 H 0.4181 -0.1193 0.7500 0.090 Uiso 1 1 calc R U
C6 C 0.4158(5) -0.0345(2) 0.6585(4) 0.055(2) Uani 1 1 d . .
H6 H 0.4292 -0.0279 0.6236 0.066 Uiso 1 1 calc R U
C7 C 0.4221(5) -0.0793(3) 0.6804(4) 0.053(2) Uani 1 1 d . .
C8 C 0.4366(6) -0.1619(3) 0.6585(4) 0.054(2) Uani 1 1 d . .
C9 C 0.3547(6) -0.1800(3) 0.6518(5) 0.076(3) Uani 1 1 d . .
H9 H 0.3052 -0.1607 0.6396 0.091 Uiso 1 1 calc R U
C10 C 0.5091(5) -0.1908(3) 0.6749(3) 0.055(2) Uani 1 1 d . .
H10 H 0.5646 -0.1785 0.6786 0.066 Uiso 1 1 calc R U
C11 C 0.3468(5) -0.2270(3) 0.6633(4) 0.063(2) Uani 1 1 d . .
H11 H 0.2912 -0.2395 0.6586 0.076 Uiso 1 1 calc R U
C12 C 0.4993(5) -0.2379(3) 0.6860(3) 0.054(2) Uani 1 1 d . .
H12 H 0.5484 -0.2577 0.6967 0.065 Uiso 1 1 calc R U
C13 C 0.4188(4) -0.2561(2) 0.6815(3) 0.0379(16) Uani 1 1 d . .
C14 C 0.4088(5) -0.3066(2) 0.6986(3) 0.0404(17) Uani 1 1 d . .
C15 C 0.2961(5) 0.2063(2) 0.7388(3) 0.0402(17) Uani 1 1 d . .
C16 C 0.2295(5) 0.2430(3) 0.7107(3) 0.0483(19) Uani 1 1 d . .
C17 C 0.2560(6) 0.2901(3) 0.7148(4) 0.065(2) Uani 1 1 d . .
H17 H 0.3145 0.2979 0.7342 0.078 Uiso 1 1 calc R U
C18 C 0.1429(5) 0.2311(3) 0.6806(3) 0.058(2) Uani 1 1 d . .
H18 H 0.1254 0.1995 0.6778 0.070 Uiso 1 1 calc R U
C19 C 0.1948(8) 0.3259(3) 0.6896(4) 0.080(3) Uani 1 1 d . .
H19 H 0.2111 0.3577 0.6923 0.096 Uiso 1 1 calc R U
C20 C 0.0828(6) 0.2660(4) 0.6550(4) 0.083(3) Uani 1 1 d . .
H20 H 0.0249 0.2581 0.6341 0.100 Uiso 1 1 calc R U
C21 C 0.1089(8) 0.3119(4) 0.6604(4) 0.089(4) Uani 1 1 d . .
C22 C 0.0075(6) 0.3550(3) 0.5809(4) 0.073(3) Uani 1 1 d . .
C23 C -0.0605(6) 0.3876(3) 0.5682(3) 0.064(2) Uani 1 1 d . .
H23 H -0.0735 0.4041 0.5986 0.077 Uiso 1 1 calc R U
C24 C 0.0315(6) 0.3334(4) 0.5353(4) 0.089(4) Uani 1 1 d . .
H24 H 0.0793 0.3128 0.5442 0.107 Uiso 1 1 calc R U
C25 C -0.1081(5) 0.3951(3) 0.5100(3) 0.057(2) Uani 1 1 d . .
H25 H -0.1560 0.4156 0.5009 0.068 Uiso 1 1 calc R U
C26 C -0.0162(6) 0.3427(3) 0.4768(4) 0.070(3) Uani 1 1 d . .
H26 H -0.0002 0.3284 0.4462 0.084 Uiso 1 1 calc R U
C27 C -0.0861(4) 0.3725(3) 0.4636(3) 0.0443(18) Uani 1 1 d . .
C28 C -0.1457(5) 0.3796(3) 0.4017(3) 0.0437(18) Uani 1 1 d . .
C29 C 0.4135(5) 0.1167(3) 0.6357(3) 0.0416(18) Uani 1 1 d . .
C30 C 0.3264(5) 0.1061(3) 0.5909(3) 0.0424(18) Uani 1 1 d . .
C31 C 0.2505(5) 0.1219(3) 0.6006(4) 0.061(2) Uani 1 1 d . .
H31 H 0.2543 0.1382 0.6356 0.074 Uiso 1 1 calc R U
C32 C 0.3194(5) 0.0814(3) 0.5395(4) 0.061(2) Uani 1 1 d . .
H32 H 0.3701 0.0704 0.5325 0.074 Uiso 1 1 calc R U
C33 C 0.1679(5) 0.1140(3) 0.5589(4) 0.064(2) Uani 1 1 d . .
H33 H 0.1172 0.1252 0.5657 0.077 Uiso 1 1 calc R U
C34 C 0.2379(5) 0.0726(3) 0.4977(4) 0.069(3) Uani 1 1 d . .
H34 H 0.2345 0.0556 0.4633 0.083 Uiso 1 1 calc R U
C35 C 0.1626(5) 0.0891(3) 0.5073(4) 0.061(2) Uani 1 1 d . .
C36 C 0.0486(5) 0.0448(4) 0.4364(4) 0.069(3) Uani 1 1 d . .
C37 C -0.0207(7) 0.0514(4) 0.3841(5) 0.126(5) Uani 1 1 d . .
H37 H -0.0398 0.0817 0.3707 0.152 Uiso 1 1 calc R U
C38 C 0.0797(5) 0.0011(3) 0.4548(4) 0.067(3) Uani 1 1 d . .
H38 H 0.1262 -0.0030 0.4898 0.081 Uiso 1 1 calc R U
C39 C -0.0605(6) 0.0118(4) 0.3525(5) 0.110(4) Uani 1 1 d . .
H39 H -0.1089 0.0158 0.3186 0.132 Uiso 1 1 calc R U
C40 C 0.0400(5) -0.0384(3) 0.4197(4) 0.061(2) Uani 1 1 d . .
H40 H 0.0625 -0.0685 0.4312 0.073 Uiso 1 1 calc R U
C41 C -0.0303(4) -0.0334(3) 0.3697(3) 0.0469(19) Uani 1 1 d . .
C42 C -0.0705(6) -0.0743(3) 0.3324(4) 0.057(2) Uani 1 1 d . .
C43 C 0.7723(5) 0.2198(2) 0.6841(3) 0.0402(17) Uani 1 1 d . .
C44 C 0.7576(4) 0.2711(2) 0.6679(3) 0.0380(16) Uani 1 1 d . .
C45 C 0.6727(4) 0.2879(2) 0.6393(3) 0.0433(18) Uani 1 1 d . .
H45 H 0.6254 0.2669 0.6305 0.052 Uiso 1 1 calc R U
C46 C 0.8267(4) 0.3027(3) 0.6787(3) 0.0480(19) Uani 1 1 d . .
H46 H 0.8841 0.2918 0.6953 0.058 Uiso 1 1 calc R U
C47 C 0.6577(5) 0.3348(2) 0.6238(3) 0.0469(19) Uani 1 1 d . .
H47 H 0.6008 0.3453 0.6041 0.056 Uiso 1 1 calc R U
C48 C 0.8122(5) 0.3501(3) 0.6652(3) 0.051(2) Uani 1 1 d . .
H48 H 0.8594 0.3711 0.6747 0.061 Uiso 1 1 calc R U
C49 C 0.7277(5) 0.3669(3) 0.6375(3) 0.0482(19) Uani 1 1 d . .
C50 C 0.7633(5) 0.4494(2) 0.6383(4) 0.0474(19) Uani 1 1 d . .
C51 C 0.7757(5) 0.4786(3) 0.5954(4) 0.055(2) Uani 1 1 d . .
H51 H 0.7485 0.4720 0.5552 0.065 Uiso 1 1 calc R U
C52 C 0.7981(6) 0.4598(3) 0.6974(4) 0.068(3) Uani 1 1 d . .
H52 H 0.7864 0.4405 0.7260 0.082 Uiso 1 1 calc R U
C53 C 0.8294(5) 0.5181(3) 0.6123(3) 0.053(2) Uani 1 1 d . .
H53 H 0.8397 0.5374 0.5831 0.063 Uiso 1 1 calc R U
C54 C 0.8512(5) 0.4995(3) 0.7144(4) 0.060(2) Uani 1 1 d . .
H54 H 0.8761 0.5064 0.7547 0.072 Uiso 1 1 calc R U
C55 C 0.8678(4) 0.5293(2) 0.6719(3) 0.0394(17) Uani 1 1 d . .
C56 C 0.9288(4) 0.5709(2) 0.6889(3) 0.0367(16) Uani 1 1 d . .
C57 C 0.7396(5) 0.0578(3) 0.6633(3) 0.0467(19) Uani 1 1 d . .
C58 C 0.7285(4) 0.0058(3) 0.6541(3) 0.0395(17) Uani 1 1 d . .
C59 C 0.6447(5) -0.0134(3) 0.6365(3) 0.0474(19) Uani 1 1 d . .
H59 H 0.5958 0.0061 0.6307 0.057 Uiso 1 1 calc R U
C60 C 0.8011(4) -0.0239(3) 0.6636(3) 0.0447(18) Uani 1 1 d . .
H60 H 0.8574 -0.0109 0.6747 0.054 Uiso 1 1 calc R U
C61 C 0.6343(5) -0.0614(2) 0.6277(3) 0.050(2) Uani 1 1 d . .
H61 H 0.5779 -0.0742 0.6147 0.060 Uiso 1 1 calc R U
C62 C 0.7909(5) -0.0720(3) 0.6569(3) 0.051(2) Uani 1 1 d . .
H62 H 0.8398 -0.0918 0.6649 0.062 Uiso 1 1 calc R U
C63 C 0.7060(5) -0.0908(2) 0.6378(3) 0.050(2) Uani 1 1 d . .
C64 C 0.7526(5) -0.1731(3) 0.6405(5) 0.063(2) Uani 1 1 d . .
C65 C 0.7810(6) -0.1873(3) 0.6978(5) 0.081(3) Uani 1 1 d . .
H65 H 0.7641 -0.1714 0.7270 0.097 Uiso 1 1 calc R U
C66 C 0.7811(7) -0.1932(4) 0.5982(4) 0.097(4) Uani 1 1 d . .
H66 H 0.7636 -0.1813 0.5595 0.116 Uiso 1 1 calc R U
C67 C 0.8368(6) -0.2271(3) 0.7121(4) 0.067(3) Uani 1 1 d . .
H67 H 0.8559 -0.2380 0.7513 0.081 Uiso 1 1 calc R U
C68 C 0.8368(7) -0.2318(3) 0.6133(4) 0.090(3) Uani 1 1 d . .
H68 H 0.8568 -0.2459 0.5842 0.108 Uiso 1 1 calc R U
C69 C 0.8635(5) -0.2499(2) 0.6699(3) 0.0456(19) Uani 1 1 d . .
C70 C 0.9232(4) -0.2915(2) 0.6855(3) 0.0367(16) Uani 1 1 d . .
C71 C 0.7962(5) 0.1296(2) 0.8085(3) 0.0450(18) Uani 1 1 d . .
C72 C 0.8346(5) 0.1242(3) 0.8752(4) 0.053(2) Uani 1 1 d . .
C73 C 0.7810(6) 0.1326(3) 0.9123(4) 0.068(3) Uani 1 1 d . .
H73 H 0.7224 0.1415 0.8958 0.082 Uiso 1 1 calc R U
C74 C 0.9195(7) 0.1101(4) 0.9008(5) 0.097(4) Uani 1 1 d . .
H74 H 0.9554 0.1039 0.8772 0.117 Uiso 1 1 calc R U
C75 C 0.9531(8) 0.1048(4) 0.9642(6) 0.109(4) Uani 1 1 d . .
H75 H 1.0105 0.0942 0.9815 0.131 Uiso 1 1 calc R U
C76 C 0.8183(8) 0.1271(3) 0.9747(4) 0.087(3) Uani 1 1 d . .
H76 H 0.7839 0.1320 0.9995 0.105 Uiso 1 1 calc R U
C77 C 0.9041(9) 0.1148(4) 0.9983(5) 0.085(3) Uani 1 1 d . .
C78 C 0.9475(8) 0.0707(3) 1.0906(4) 0.096(4) Uani 1 1 d . .
C79 C 0.8867(7) 0.0350(3) 1.0706(4) 0.092(4) Uani 1 1 d . .
H79 H 0.8434 0.0374 1.0337 0.111 Uiso 1 1 calc R U
C80 C 1.0106(8) 0.0677(4) 1.1449(5) 0.139(6) Uani 1 1 d . .
H80 H 1.0483 0.0931 1.1595 0.167 Uiso 1 1 calc R U
C81 C 1.0179(6) 0.0269(4) 1.1777(4) 0.096(4) Uani 1 1 d . .
H81 H 1.0646 0.0234 1.2127 0.115 Uiso 1 1 calc R U
C82 C 0.8912(6) -0.0041(3) 1.1061(4) 0.082(3) Uani 1 1 d . .
H82 H 0.8490 -0.0279 1.0938 0.099 Uiso 1 1 calc R U
C83 C 0.9570(5) -0.0087(3) 1.1593(4) 0.052(2) Uani 1 1 d . .
C84 C 0.9603(5) -0.0505(3) 1.1986(3) 0.0437(18) Uani 1 1 d . .
C85 C 0.4564(7) 0.2263(4) 0.6283(6) 0.101(4) Uani 1 1 d . .
H85 H 0.4424 0.2297 0.6635 0.121 Uiso 1 1 calc R U
C86 C 0.4141(12) 0.2357(8) 0.5270(8) 0.251(12) Uani 1 1 d . .
H86A H 0.4558 0.2575 0.5195 0.301 Uiso 1 1 calc R U
H86B H 0.3581 0.2395 0.4968 0.301 Uiso 1 1 calc R U
H86C H 0.4346 0.2038 0.5261 0.301 Uiso 1 1 calc R U
C87 C 0.3260(14) 0.2674(7) 0.5781(9) 0.252(10) Uiso 1 1 d . .
H87A H 0.3162 0.2700 0.6161 0.302 Uiso 1 1 calc R U
H87B H 0.2795 0.2490 0.5515 0.302 Uiso 1 1 calc R U
H87C H 0.3270 0.2985 0.5617 0.302 Uiso 1 1 calc R U
Dy1 Dy 0.22134(2) 0.10491(2) 0.79003(2) 0.03409(9) Uani 1 1 d . .
Dy2 Dy 0.44000(2) 0.14055(2) 0.78160(2) 0.03018(9) Uani 1 1 d . .
Dy3 Dy 0.60670(2) 0.14227(2) 0.69583(2) 0.03309(9) Uani 1 1 d . .
Dy4 Dy 0.91402(2) 0.13029(2) 0.70754(2) 0.04210(10) Uani 1 1 d . .
N1 N 0.4045(6) 0.2455(4) 0.5852(6) 0.146(5) Uani 1 1 d . .
O1 O 0.2826(3) 0.02235(17) 0.7996(2) 0.0557(14) Uani 1 1 d . .
O2 O 0.3474(3) 0.07418(15) 0.7581(2) 0.0431(12) Uani 1 1 d . .
O3 O 0.4481(4) -0.11438(18) 0.6473(3) 0.0736(19) Uani 1 1 d . .
O4 O 0.4767(3) -0.32833(17) 0.7270(2) 0.0580(15) Uani 1 1 d . .
O5 O 0.3322(3) -0.32440(17) 0.6852(2) 0.0497(13) Uani 1 1 d . .
O6 O 0.2749(3) 0.16224(16) 0.7378(2) 0.0408(11) Uani 1 1 d . .
O7 O 0.3751(3) 0.21765(17) 0.7610(2) 0.0540(14) Uani 1 1 d . .
O8 O 0.0504(6) 0.3494(3) 0.6400(3) 0.131(4) Uani 1 1 d . .
O9 O -0.1278(3) 0.36181(16) 0.3570(2) 0.0411(12) Uani 1 1 d . .
O10 O -0.2146(3) 0.40427(18) 0.3935(2) 0.0541(14) Uani 1 1 d . .
O11 O 0.4154(3) 0.14127(16) 0.6811(2) 0.0467(13) Uani 1 1 d . .
O12 O 0.4832(3) 0.10283(18) 0.6264(2) 0.0510(13) Uani 1 1 d . .
O13 O 0.0796(4) 0.0864(2) 0.4669(3) 0.091(2) Uani 1 1 d . .
O14 O -0.0240(4) -0.1103(2) 0.3340(2) 0.0605(15) Uani 1 1 d . .
O15 O -0.1492(3) -0.0715(2) 0.3002(2) 0.0711(18) Uani 1 1 d . .
O16 O 0.7061(3) 0.19470(16) 0.6807(2) 0.0509(13) Uani 1 1 d . .
O17 O 0.8502(3) 0.20454(18) 0.6997(3) 0.0618(15) Uani 1 1 d . .
O18 O 0.7055(4) 0.41215(18) 0.6174(3) 0.0705(17) Uani 1 1 d . .
O19 O 0.9480(3) 0.58809(15) 0.7416(2) 0.0383(11) Uani 1 1 d . .
O20 O 0.9615(3) 0.58662(17) 0.6515(2) 0.0493(13) Uani 1 1 d . .
O21 O 0.6768(3) 0.07979(19) 0.6732(3) 0.0704(18) Uani 1 1 d . .
O22 O 0.8085(3) 0.07741(19) 0.6602(2) 0.0606(15) Uani 1 1 d . .
O23 O 0.6877(4) -0.13777(17) 0.6238(3) 0.080(2) Uani 1 1 d . .
O24 O 0.9431(3) -0.30902(15) 0.73763(19) 0.0371(11) Uani 1 1 d . .
O25 O 0.9574(3) -0.30715(17) 0.6484(2) 0.0504(13) Uani 1 1 d . .
O26 O 0.8482(4) 0.1269(2) 0.7795(2) 0.0628(15) Uani 1 1 d . .
O27 O 0.7160(3) 0.13739(17) 0.7883(2) 0.0484(13) Uani 1 1 d . .
O28 O 0.9443(6) 0.1133(2) 1.0587(3) 0.136(4) Uani 1 1 d . .
O29 O 0.8919(3) -0.07536(18) 1.1868(2) 0.0570(14) Uani 1 1 d . .
O30 O 1.0284(3) -0.05915(17) 1.2407(2) 0.0524(13) Uani 1 1 d . .
O31 O 0.5213(3) 0.2042(2) 0.6334(3) 0.0639(16) Uani 1 1 d . .
O32 O 0.6159(9) 0.1383(4) 0.5868(6) 0.229(6) Uiso 1 1 d D .
H32A H 0.5837 0.1137 0.5768 0.275 Uiso 1 1 d DR U
H32B H 0.5826 0.1625 0.5773 0.275 Uiso 1 1 d DR U
O33 O 0.8823(5) 0.1599(3) 0.6063(4) 0.130(3) Uiso 1 1 d . .
H33A H 0.8679 0.1546 0.5690 0.156 Uiso 1 1 d R U
H33B H 0.8665 0.1881 0.6109 0.156 Uiso 1 1 d 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'
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'
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
O1 C1 O2 119.8(7) . .
O1 C1 C2 122.5(7) . .
O2 C1 C2 117.5(7) . .
C4 C2 C3 118.2(7) . .
C4 C2 C1 121.1(7) . .
C3 C2 C1 120.6(7) . .
C5 C3 C2 120.2(8) . .
C2 C4 C6 122.6(7) . .
C7 C5 C3 119.4(8) . .
C7 C6 C4 118.1(7) . .
C6 C7 C5 121.4(7) . .
C6 C7 O3 116.3(7) . .
C5 C7 O3 122.2(7) . .
C10 C8 C9 120.3(7) . .
C10 C8 O3 118.5(7) . .
C9 C8 O3 121.2(7) . .
C11 C9 C8 119.0(8) . .
C8 C10 C12 119.6(7) . .
C9 C11 C13 121.5(8) . .
C13 C12 C10 120.8(7) . .
C12 C13 C11 118.8(7) . .
C12 C13 C14 120.9(6) . .
C11 C13 C14 120.2(6) . .
O4 C14 O5 123.6(7) . .
O4 C14 C13 117.6(6) . .
O5 C14 C13 118.8(6) . .
O7 C15 O6 118.8(6) . .
O7 C15 C16 120.0(7) . .
O6 C15 C16 121.1(7) . .
C17 C16 C18 120.2(7) . .
C17 C16 C15 118.3(7) . .
C18 C16 C15 121.5(7) . .
C16 C17 C19 120.1(9) . .
C20 C18 C16 120.0(9) . .
C21 C19 C17 117.2(9) . .
C21 C20 C18 119.3(9) . .
C20 C21 C19 123.2(8) . .
C20 C21 O8 122.6(11) . .
C19 C21 O8 114.1(11) . .
O8 C22 C23 114.3(7) . .
O8 C22 C24 124.8(7) . .
C23 C22 C24 120.7(7) . .
C25 C23 C22 118.4(7) . .
C26 C24 C22 119.4(7) . .
C23 C25 C27 121.3(7) . .
C27 C26 C24 120.6(7) . .
C26 C27 C25 119.3(7) . .
C26 C27 C28 122.8(7) . .
C25 C27 C28 117.7(6) . .
O10 C28 O9 119.7(7) . .
O10 C28 C27 119.1(6) . .
O9 C28 C27 121.1(7) . .
O10 C28 Dy1 54.0(4) . 4_565
O9 C28 Dy1 65.9(4) . 4_565
C27 C28 Dy1 172.3(5) . 4_565
O12 C29 O11 121.7(6) . .
O12 C29 C30 119.5(7) . .
O11 C29 C30 118.7(7) . .
C32 C30 C31 118.4(7) . .
C32 C30 C29 122.0(7) . .
C31 C30 C29 119.6(7) . .
C30 C31 C33 121.3(7) . .
C30 C32 C34 121.4(8) . .
C35 C33 C31 119.1(8) . .
C35 C34 C32 119.8(8) . .
C34 C35 O13 125.0(8) . .
C34 C35 C33 119.9(7) . .
O13 C35 C33 114.8(8) . .
C38 C36 O13 124.7(8) . .
C38 C36 C37 121.3(9) . .
O13 C36 C37 114.0(9) . .
C39 C37 C36 118.6(10) . .
C36 C38 C40 118.5(8) . .
C41 C39 C37 121.7(9) . .
C41 C40 C38 121.8(8) . .
C40 C41 C39 118.1(8) . .
C40 C41 C42 121.8(8) . .
C39 C41 C42 120.0(8) . .
O14 C42 O15 122.9(8) . .
O14 C42 C41 118.2(8) . .
O15 C42 C41 118.9(8) . .
O16 C43 O17 124.3(7) . .
O16 C43 C44 117.8(6) . .
O17 C43 C44 117.9(6) . .
C46 C44 C45 118.2(6) . .
C46 C44 C43 121.6(6) . .
C45 C44 C43 120.2(6) . .
C47 C45 C44 121.1(6) . .
C48 C46 C44 121.0(7) . .
C45 C47 C49 120.1(7) . .
C46 C48 C49 120.7(7) . .
O18 C49 C48 126.2(7) . .
O18 C49 C47 114.8(7) . .
C48 C49 C47 118.7(7) . .
C51 C50 C52 121.5(7) . .
C51 C50 O18 115.2(7) . .
C52 C50 O18 122.9(7) . .
C50 C51 C53 119.3(7) . .
C50 C52 C54 119.2(7) . .
C51 C53 C55 120.9(7) . .
C52 C54 C55 120.9(8) . .
C53 C55 C54 118.0(7) . .
C53 C55 C56 119.7(6) . .
C54 C55 C56 122.2(7) . .
O20 C56 O19 122.0(6) . .
O20 C56 C55 118.2(6) . .
O19 C56 C55 119.7(6) . .
O20 C56 Dy2 58.5(3) . 2_656
O19 C56 Dy2 63.7(3) . 2_656
C55 C56 Dy2 172.3(5) . 2_656
O22 C57 O21 123.9(7) . .
O22 C57 C58 119.6(6) . .
O21 C57 C58 116.5(7) . .
C59 C58 C60 119.5(7) . .
C59 C58 C57 119.4(6) . .
C60 C58 C57 121.0(6) . .
C61 C59 C58 119.5(7) . .
C62 C60 C58 121.0(7) . .
C59 C61 C63 120.9(7) . .
C60 C62 C63 118.9(7) . .
O23 C63 C61 115.9(7) . .
O23 C63 C62 123.8(6) . .
C61 C63 C62 120.1(7) . .
C66 C64 C65 122.3(8) . .
C66 C64 O23 118.7(9) . .
C65 C64 O23 118.9(9) . .
C64 C65 C67 118.0(9) . .
C64 C66 C68 118.7(9) . .
C69 C67 C65 121.3(8) . .
C69 C68 C66 121.7(9) . .
C67 C69 C68 117.8(7) . .
C67 C69 C70 121.0(7) . .
C68 C69 C70 121.1(7) . .
O25 C70 O24 120.6(6) . .
O25 C70 C69 119.5(6) . .
O24 C70 C69 119.7(6) . .
O25 C70 Dy2 58.9(3) . 2_646
O24 C70 Dy2 62.0(3) . 2_646
C69 C70 Dy2 170.4(5) . 2_646
O26 C71 O27 126.2(7) . .
O26 C71 C72 116.5(7) . .
O27 C71 C72 117.3(7) . .
C74 C72 C73 118.9(8) . .
C74 C72 C71 121.2(8) . .
C73 C72 C71 119.8(7) . .
C76 C73 C72 118.9(9) . .
C72 C74 C75 119.4(11) . .
C77 C75 C74 121.1(10) . .
C77 C76 C73 120.1(11) . .
C75 C77 C76 121.4(10) . .
C75 C77 O28 117.0(12) . .
C76 C77 O28 121.6(13) . .
C80 C78 C79 121.0(8) . .
C80 C78 O28 116.6(8) . .
C79 C78 O28 122.3(8) . .
C78 C79 C82 118.6(8) . .
C78 C80 C81 119.4(9) . .
C80 C81 C83 120.5(8) . .
C83 C82 C79 121.0(8) . .
C82 C83 C81 119.2(8) . .
C82 C83 C84 121.0(7) . .
C81 C83 C84 119.8(7) . .
O30 C84 O29 123.5(7) . .
O30 C84 C83 120.2(6) . .
O29 C84 C83 116.2(7) . .
O31 C85 N1 131.7(13) . .
O29 Dy1 O15 82.0(2) 3_657 3_556
O29 Dy1 O5 82.32(18) 3_657 2_556
O15 Dy1 O5 118.1(2) 3_556 2_556
O29 Dy1 O10 80.07(18) 3_657 4_666
O15 Dy1 O10 148.6(2) 3_556 4_666
O5 Dy1 O10 84.74(18) 2_556 4_666
O29 Dy1 O6 148.11(17) 3_657 .
O15 Dy1 O6 87.42(19) 3_556 .
O5 Dy1 O6 76.34(16) 2_556 .
O10 Dy1 O6 120.56(16) 4_666 .
O29 Dy1 O1 87.40(18) 3_657 .
O15 Dy1 O1 76.8(2) 3_556 .
O5 Dy1 O1 160.22(18) 2_556 .
O10 Dy1 O1 76.83(18) 4_666 .
O6 Dy1 O1 119.35(16) . .
O29 Dy1 O2 137.60(17) 3_657 .
O15 Dy1 O2 78.35(17) 3_556 .
O5 Dy1 O2 140.01(15) 2_556 .
O10 Dy1 O2 98.18(17) 4_666 .
O6 Dy1 O2 67.88(15) . .
O1 Dy1 O2 51.71(15) . .
O29 Dy1 O9 131.17(17) 3_657 4_666
O15 Dy1 O9 144.62(17) 3_556 4_666
O5 Dy1 O9 83.23(15) 2_556 4_666
O10 Dy1 O9 52.29(15) 4_666 4_666
O6 Dy1 O9 69.65(15) . 4_666
O1 Dy1 O9 91.01(16) . 4_666
O2 Dy1 O9 68.31(14) . 4_666
O29 Dy1 C28 105.1(2) 3_657 4_666
O15 Dy1 C28 159.6(2) 3_556 4_666
O5 Dy1 C28 82.11(19) 2_556 4_666
O10 Dy1 C28 25.81(18) 4_666 4_666
O6 Dy1 C28 95.23(19) . 4_666
O1 Dy1 C28 84.33(19) . 4_666
O2 Dy1 C28 83.91(18) . 4_666
O9 Dy1 C28 26.53(16) 4_666 4_666
O11 Dy2 O2 82.44(17) . .
O11 Dy2 O9 144.61(17) . 4_666
O2 Dy2 O9 75.60(16) . 4_666
O11 Dy2 O7 81.76(18) . .
O2 Dy2 O7 118.37(16) . .
O9 Dy2 O7 84.67(17) 4_666 .
O11 Dy2 O20 123.86(17) . 2_646
O2 Dy2 O20 83.52(17) . 2_646
O9 Dy2 O20 81.15(16) 4_666 2_646
O7 Dy2 O20 149.90(17) . 2_646
O11 Dy2 O25 124.32(16) . 2_656
O2 Dy2 O25 152.67(16) . 2_656
O9 Dy2 O25 82.80(16) 4_666 2_656
O7 Dy2 O25 75.27(17) . 2_656
O20 Dy2 O25 76.70(17) 2_646 2_656
O11 Dy2 O24 72.74(15) . 2_656
O2 Dy2 O24 149.80(15) . 2_656
O9 Dy2 O24 134.33(15) 4_666 2_656
O7 Dy2 O24 75.39(16) . 2_656
O20 Dy2 O24 96.04(16) 2_646 2_656
O25 Dy2 O24 52.70(15) 2_656 2_656
O11 Dy2 O19 71.51(16) . 2_646
O2 Dy2 O19 85.36(15) . 2_646
O9 Dy2 O19 132.46(15) 4_666 2_646
O7 Dy2 O19 141.67(16) . 2_646
O20 Dy2 O19 53.33(15) 2_646 2_646
O25 Dy2 O19 97.42(16) 2_656 2_646
O24 Dy2 O19 70.80(14) 2_656 2_646
O11 Dy2 O6 75.97(16) . .
O2 Dy2 O6 66.64(15) . .
O9 Dy2 O6 69.97(15) 4_666 .
O7 Dy2 O6 51.75(15) . .
O20 Dy2 O6 142.39(16) 2_646 .
O25 Dy2 O6 121.11(16) 2_656 .
O24 Dy2 O6 121.31(14) 2_656 .
O19 Dy2 O6 139.40(14) 2_646 .
O11 Dy2 C56 97.99(19) . 2_646
O2 Dy2 C56 82.43(18) . 2_646
O9 Dy2 C56 106.09(18) 4_666 2_646
O7 Dy2 C56 158.77(18) . 2_646
O20 Dy2 C56 26.16(17) 2_646 2_646
O25 Dy2 C56 87.77(18) 2_656 2_646
O24 Dy2 C56 84.24(18) 2_656 2_646
O19 Dy2 C56 27.23(16) 2_646 2_646
O6 Dy2 C56 148.94(17) . 2_646
O11 Dy2 C70 98.53(18) . 2_656
O2 Dy2 C70 169.62(17) . 2_656
O9 Dy2 C70 108.04(18) 4_666 2_656
O7 Dy2 C70 71.93(18) . 2_656
O20 Dy2 C70 87.42(18) 2_646 2_656
O25 Dy2 C70 26.10(16) 2_656 2_656
O24 Dy2 C70 26.70(16) 2_656 2_656
O19 Dy2 C70 85.17(17) 2_646 2_656
O6 Dy2 C70 123.68(17) . 2_656
C56 Dy2 C70 87.21(19) 2_646 2_656
O21 Dy3 O16 92.8(2) . .
O21 Dy3 O27 83.82(19) . .
O16 Dy3 O27 80.16(17) . .
O21 Dy3 O24 153.9(2) . 2_656
O16 Dy3 O24 96.91(16) . 2_656
O27 Dy3 O24 74.13(16) . 2_656
O21 Dy3 O12 80.77(18) . .
O16 Dy3 O12 131.04(18) . .
O27 Dy3 O12 145.53(17) . .
O24 Dy3 O12 109.92(16) 2_656 .
O21 Dy3 O31 130.7(2) . .
O16 Dy3 O31 74.02(17) . .
O27 Dy3 O31 136.81(19) . .
O24 Dy3 O31 75.32(18) 2_656 .
O12 Dy3 O31 74.35(18) . .
O21 Dy3 O19 87.27(19) . 2_646
O16 Dy3 O19 152.88(17) . 2_646
O27 Dy3 O19 72.88(16) . 2_646
O24 Dy3 O19 73.21(15) 2_656 2_646
O12 Dy3 O19 75.74(16) . 2_646
O31 Dy3 O19 125.11(16) . 2_646
O21 Dy3 O32 63.1(3) . .
O16 Dy3 O32 67.7(3) . .
O27 Dy3 O32 131.2(3) . .
O24 Dy3 O32 142.8(3) 2_656 .
O12 Dy3 O32 66.3(3) . .
O31 Dy3 O32 68.0(3) . .
O19 Dy3 O32 134.4(3) 2_646 .
O26 Dy4 O4 87.1(2) . 2_656
O26 Dy4 O22 84.0(2) . .
O4 Dy4 O22 166.7(2) 2_656 .
O26 Dy4 O17 78.5(2) . .
O4 Dy4 O17 79.40(18) 2_656 .
O22 Dy4 O17 108.27(18) . .
O26 Dy4 O14 153.2(2) . 3_656
O4 Dy4 O14 83.63(19) 2_656 3_656
O22 Dy4 O14 100.12(18) . 3_656
O17 Dy4 O14 123.9(2) . 3_656
O26 Dy4 O30 76.98(18) . 3_757
O4 Dy4 O30 89.43(18) 2_656 3_757
O22 Dy4 O30 79.00(18) . 3_757
O17 Dy4 O30 153.55(19) . 3_757
O14 Dy4 O30 77.88(19) 3_656 3_757
O26 Dy4 O33 138.5(2) . .
O4 Dy4 O33 112.0(2) 2_656 .
O22 Dy4 O33 81.1(2) . .
O17 Dy4 O33 70.0(2) . .
O14 Dy4 O33 68.0(2) 3_656 .
O30 Dy4 O33 136.3(2) 3_757 .
C85 N1 C87 131.7(15) . .
C85 N1 C86 117.4(13) . .
C87 N1 C86 109.4(14) . .
C1 O1 Dy1 93.7(4) . .
C1 O2 Dy2 148.9(4) . .
C1 O2 Dy1 92.5(4) . .
Dy2 O2 Dy1 99.21(16) . .
C8 O3 C7 119.6(6) . .
C14 O4 Dy4 168.5(5) . 2_646
C14 O5 Dy1 132.9(5) . 2_546
C15 O6 Dy1 142.3(4) . .
C15 O6 Dy2 89.5(4) . .
Dy1 O6 Dy2 96.91(15) . .
C15 O7 Dy2 99.8(4) . .
C22 O8 C21 120.8(7) . .
C28 O9 Dy2 155.3(4) . 4_565
C28 O9 Dy1 87.5(4) . 4_565
Dy2 O9 Dy1 96.17(16) 4_565 4_565
C28 O10 Dy1 100.2(4) . 4_565
C29 O11 Dy2 145.6(5) . .
C29 O12 Dy3 108.6(4) . .
C35 O13 C36 121.3(7) . .
C42 O14 Dy4 134.7(5) . 3_656
C42 O15 Dy1 131.3(5) . 3_556
C43 O16 Dy3 166.3(5) . .
C43 O17 Dy4 134.8(5) . .
C49 O18 C50 120.7(6) . .
C56 O19 Dy3 142.6(4) . 2_656
C56 O19 Dy2 89.0(4) . 2_656
Dy3 O19 Dy2 100.10(15) 2_656 2_656
C56 O20 Dy2 95.4(4) . 2_656
C57 O21 Dy3 156.4(5) . .
C57 O22 Dy4 142.4(5) . .
C63 O23 C64 122.2(6) . .
C70 O24 Dy3 145.2(4) . 2_646
C70 O24 Dy2 91.3(4) . 2_646
Dy3 O24 Dy2 102.24(15) 2_646 2_646
C70 O25 Dy2 95.0(4) . 2_646
C71 O26 Dy4 165.1(5) . .
C71 O27 Dy3 138.9(5) . .
C77 O28 C78 120.6(7) . .
C84 O29 Dy1 151.6(5) . 3_657
C84 O30 Dy4 132.5(5) . 3_757
C85 O31 Dy3 139.0(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.246(8) .
C1 O2 1.283(8) .
C1 C2 1.499(10) .
C2 C4 1.347(10) .
C2 C3 1.395(10) .
C3 C5 1.370(10) .
C4 C6 1.379(10) .
C5 C7 1.369(10) .
C6 C7 1.356(10) .
C7 O3 1.401(8) .
C8 C10 1.369(10) .
C8 C9 1.367(11) .
C8 O3 1.387(8) .
C9 C11 1.363(10) .
C10 C12 1.372(10) .
C11 C13 1.369(9) .
C12 C13 1.357(9) .
C13 C14 1.501(9) .
C14 O4 1.244(8) .
C14 O5 1.268(8) .
C15 O7 1.249(8) .
C15 O6 1.285(8) .
C15 C16 1.484(9) .
C16 C17 1.385(11) .
C16 C18 1.385(10) .
C17 C19 1.402(11) .
C18 C20 1.376(10) .
C19 C21 1.388(14) .
C20 C21 1.351(14) .
C21 O8 1.393(10) .
C22 O8 1.359(9) .
C22 C23 1.383(10) .
C22 C24 1.388(11) .
C23 C25 1.362(10) .
C24 C26 1.379(10) .
C25 C27 1.403(10) .
C26 C27 1.353(10) .
C27 C28 1.487(10) .
C28 O10 1.264(8) .
C28 O9 1.277(8) .
C28 Dy1 2.857(8) 4_565
C29 O12 1.261(8) .
C29 O11 1.266(8) .
C29 C30 1.493(9) .
C30 C32 1.370(10) .
C30 C31 1.375(10) .
C31 C33 1.397(10) .
C32 C34 1.389(10) .
C33 C35 1.383(11) .
C34 C35 1.372(11) .
C35 O13 1.375(9) .
C36 C38 1.348(12) .
C36 O13 1.383(10) .
C36 C37 1.390(12) .
C37 C39 1.381(12) .
C38 C40 1.412(11) .
C39 C41 1.377(12) .
C40 C41 1.360(10) .
C41 C42 1.471(10) .
C42 O14 1.250(10) .
C42 O15 1.253(9) .
C43 O16 1.254(8) .
C43 O17 1.257(8) .
C43 C44 1.495(9) .
C44 C46 1.378(9) .
C44 C45 1.396(9) .
C45 C47 1.373(9) .
C46 C48 1.376(10) .
C47 C49 1.395(9) .
C48 C49 1.386(10) .
C49 O18 1.368(8) .
C50 C51 1.366(10) .
C50 C52 1.363(10) .
C50 O18 1.384(8) .
C51 C53 1.385(10) .
C52 C54 1.384(10) .
C53 C55 1.386(9) .
C54 C55 1.394(10) .
C55 C56 1.496(9) .
C56 O20 1.239(7) .
C56 O19 1.280(8) .
C56 Dy2 2.796(7) 2_656
C57 O22 1.254(8) .
C57 O21 1.261(8) .
C57 C58 1.481(10) .
C58 C59 1.382(9) .
C58 C60 1.391(9) .
C59 C61 1.371(9) .
C60 C62 1.369(10) .
C61 C63 1.373(9) .
C62 C63 1.395(10) .
C63 O23 1.372(8) .
C64 C66 1.343(12) .
C64 C65 1.346(12) .
C64 O23 1.402(9) .
C65 C67 1.406(11) .
C66 C68 1.382(11) .
C67 C69 1.359(10) .
C68 C69 1.367(10) .
C69 C70 1.483(9) .
C70 O25 1.248(7) .
C70 O24 1.270(7) .
C70 Dy2 2.827(7) 2_646
C71 O26 1.232(9) .
C71 O27 1.239(8) .
C71 C72 1.507(10) .
C72 C74 1.361(11) .
C72 C73 1.420(11) .
C73 C76 1.414(11) .
C74 C75 1.431(14) .
C75 C77 1.315(15) .
C76 C77 1.354(14) .
C77 O28 1.368(11) .
C78 C80 1.364(12) .
C78 C79 1.374(12) .
C78 O28 1.410(10) .
C79 C82 1.373(11) .
C80 C81 1.369(12) .
C81 C83 1.372(10) .
C82 C83 1.370(10) .
C83 C84 1.489(10) .
C84 O30 1.247(8) .
C84 O29 1.254(8) .
C85 O31 1.183(11) .
C85 N1 1.220(12) .
C86 N1 1.453(18) .
C87 N1 1.36(2) .
Dy1 O29 2.208(5) 3_657
Dy1 O15 2.284(5) 3_556
Dy1 O5 2.313(5) 2_556
Dy1 O10 2.348(5) 4_666
Dy1 O6 2.347(5) .
Dy1 O1 2.506(5) .
Dy1 O2 2.512(4) .
Dy1 O9 2.611(4) 4_666
Dy1 C28 2.857(8) 4_666
Dy2 O11 2.280(5) .
Dy2 O2 2.341(4) .
Dy2 O9 2.353(4) 4_666
Dy2 O7 2.390(5) .
Dy2 O20 2.394(5) 2_646
Dy2 O25 2.430(5) 2_656
Dy2 O24 2.497(4) 2_656
Dy2 O19 2.508(4) 2_646
Dy2 O6 2.589(5) .
Dy2 C56 2.796(7) 2_646
Dy2 C70 2.827(7) 2_656
Dy3 O21 2.237(5) .
Dy3 O16 2.275(5) .
Dy3 O27 2.335(5) .
Dy3 O24 2.398(4) 2_656
Dy3 O12 2.408(5) .
Dy3 O31 2.412(5) .
Dy3 O19 2.463(4) 2_646
Dy3 O32 2.623(12) .
Dy4 O26 2.259(6) .
Dy4 O4 2.261(5) 2_656
Dy4 O22 2.266(5) .
Dy4 O17 2.309(5) .
Dy4 O14 2.331(5) 3_656
Dy4 O30 2.378(5) 3_757
Dy4 O33 2.430(8) .
O4 Dy4 2.261(5) 2_646
O5 Dy1 2.312(5) 2_546
O9 Dy2 2.353(4) 4_565
O9 Dy1 2.611(4) 4_565
O10 Dy1 2.348(5) 4_565
O14 Dy4 2.331(5) 3_656
O15 Dy1 2.284(5) 3_556
O19 Dy3 2.463(4) 2_656
O19 Dy2 2.508(4) 2_656
O20 Dy2 2.394(5) 2_656
O24 Dy3 2.398(4) 2_646
O24 Dy2 2.497(4) 2_646
O25 Dy2 2.430(5) 2_646
O29 Dy1 2.208(5) 3_657
O30 Dy4 2.378(5) 3_757
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 35 2 ' '
2 -0.500 0.000 0.276 1270 294 ' '
3 0.000 0.500 0.939 1270 294 ' '
4 0.500 0.500 0.500 35 2 ' '
