#------------------------------------------------------------------------------
#$Date: 2019-11-17 08:06:41 +0200 (Sun, 17 Nov 2019) $
#$Revision: 228803 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/96/1549644.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_1549644
loop_
_publ_author_name
'Tian, Haiquan'
'Su, Jing-Bu'
'Bao, Song-Song'
'Kurmoo, Mohamedally'
'Huang, Xin-Da'
'Zhang, Yi-Quan'
'Zheng, Li-Min'
_publ_section_title
;
 Reversible ON-OFF switching of single-molecule-magnetism associated with
 single-crystal-to-single-crystal structural transformation of a
 decanuclear dysprosium phosphonate.
;
_journal_issue                   30
_journal_name_full               'Chemical science'
_journal_page_first              6424
_journal_page_last               6433
_journal_paper_doi               10.1039/c8sc01228h
_journal_volume                  9
_journal_year                    2018
_chemical_formula_moiety
'C134 H124 Dy10 N32 O54 P4, 10(H2 O), 2(H2 O)'
_chemical_formula_sum            'C134 H148 Dy10 N32 O66 P4'
_chemical_formula_weight         5011.71
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2018-06-21 deposited with the CCDC.
2018-07-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 112.969(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   24.653(3)
_cell_length_b                   14.5645(19)
_cell_length_c                   26.067(3)
_cell_measurement_reflns_used    9852
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.381
_cell_measurement_theta_min      2.275
_cell_volume                     8617.5(18)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0821
_diffrn_reflns_av_unetI/netI     0.0866
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            55815
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         2.019
_exptl_absorpt_coefficient_mu    4.410
_exptl_absorpt_correction_T_max  0.719
_exptl_absorpt_correction_T_min  0.320
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker, 2000)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.931
_exptl_crystal_description       block
_exptl_crystal_F_000             4848
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.080
_refine_diff_density_max         3.819
_refine_diff_density_min         -2.614
_refine_diff_density_rms         0.308
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1159
_refine_ls_number_reflns         16870
_refine_ls_number_restraints     924
_refine_ls_restrained_S_all      0.986
_refine_ls_R_factor_all          0.1733
_refine_ls_R_factor_gt           0.1021
_refine_ls_shift/su_max          0.025
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[σ²(Fo²)+(0.0457P)²+690.6492P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2161
_refine_ls_wR_factor_ref         0.2725
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10326
_reflns_number_total             16870
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8sc01228h2.cif
_cod_data_source_block           I-UV
_cod_depositor_comments
'Adding full bibliography for 1549643--1549647.cif.'
_cod_original_cell_volume        8617.4(19)
_cod_database_code               1549644
_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   0.351
_shelx_estimated_absorpt_t_max   0.719
_shelxl_version_number           2013-2
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.16352(5) 0.72786(9) 0.41924(5) 0.0615(3) Uani 1 1 d . U . . .
Dy2 Dy 0.24630(5) 0.72285(8) 0.58257(5) 0.0502(3) Uani 1 1 d . U . . .
Dy3 Dy 0.31545(5) 0.46943(7) 0.64402(4) 0.0436(3) Uani 1 1 d . . . . .
Dy4 Dy 0.39927(4) 0.45145(6) 0.54130(3) 0.0368(2) Uani 1 1 d . . . . .
Dy5 Dy 0.24443(5) 0.51038(9) 0.40632(4) 0.0513(3) Uani 1 1 d . . . . .
P1 P 0.3158(2) 0.6624(4) 0.4927(2) 0.0443(12) Uani 1 1 d . U . . .
P2 P 0.1959(2) 0.5419(4) 0.5154(2) 0.0435(11) Uani 1 1 d . U . . .
C1 C 0.1415(12) 0.9332(18) 0.3431(13) 0.095(6) Uani 1 1 d D U . . .
H1 H 0.1217 0.8964 0.3111 0.115 Uiso 1 1 calc R U . . .
C2 C 0.1447(13) 1.0255(15) 0.3389(14) 0.101(6) Uani 1 1 d D U . . .
H2 H 0.1274 1.0512 0.3026 0.122 Uiso 1 1 calc R U . . .
C4 C 0.1947(13) 1.0443(18) 0.4324(13) 0.101(6) Uani 1 1 d D U . . .
H4 H 0.2136 1.0814 0.4644 0.121 Uiso 1 1 calc R U . . .
C5 C 0.1929(13) 0.9520(16) 0.4382(13) 0.096(6) Uani 1 1 d D U . . .
C6 C 0.2217(8) 0.9026(17) 0.4934(12) 0.060(7) Uani 1 1 d . . . . .
C7 C 0.2884(13) 0.9449(19) 0.6316(13) 0.085(5) Uani 1 1 d . U . . .
H7 H 0.2882 1.0100 0.6336 0.102 Uiso 1 1 calc R U . . .
C8 C 0.3153(12) 0.8884(18) 0.6807(13) 0.078(4) Uani 1 1 d . U . . .
H8 H 0.3380 0.9152 0.7157 0.094 Uiso 1 1 calc R U . . .
C9 C 0.3376(11) 0.6659(17) 0.7125(11) 0.063(4) Uani 1 1 d . U . . .
C10 C 0.3747(9) 0.6041(12) 0.7616(8) 0.053(6) Uani 1 1 d D . . . .
C11 C 0.4050(10) 0.6367(18) 0.8134(7) 0.073(8) Uani 1 1 d D . . . .
H11 H 0.4060 0.7009 0.8201 0.088 Uiso 1 1 calc R U . . .
C13 C 0.4350(9) 0.4905(15) 0.8421(8) 0.065(7) Uani 1 1 d D . . . .
H13 H 0.4580 0.4483 0.8698 0.078 Uiso 1 1 calc R U . . .
C14 C 0.4042(9) 0.4602(15) 0.7900(7) 0.076(9) Uani 1 1 d D . . . .
H14 H 0.4018 0.3958 0.7836 0.091 Uiso 1 1 calc R U . . .
C15 C 0.0087(8) 0.749(2) 0.3399(13) 0.105(12) Uani 1 1 d D . . . .
H15 H 0.0127 0.8065 0.3581 0.126 Uiso 1 1 calc R U . . .
C16 C -0.0443(10) 0.7226(19) 0.3029(11) 0.082(9) Uani 1 1 d D . . . .
H16 H -0.0770 0.7620 0.2969 0.098 Uiso 1 1 calc R U . . .
C18 C -0.0067(9) 0.589(2) 0.2861(11) 0.089(6) Uani 1 1 d D U . . .
H18 H -0.0105 0.5323 0.2673 0.107 Uiso 1 1 calc R U . . .
C19 C 0.0458(11) 0.6149(19) 0.3244(10) 0.083(6) Uani 1 1 d D U . . .
C20 C 0.1015(9) 0.5577(18) 0.3423(10) 0.057(6) Uani 1 1 d . . . . .
C21 C 0.1472(13) 0.355(2) 0.3102(12) 0.093(6) Uani 1 1 d . U . . .
H21 H 0.1124 0.3309 0.2824 0.112 Uiso 1 1 calc R U . . .
C22 C 0.2007(12) 0.306(2) 0.3303(11) 0.092(5) Uani 1 1 d . U . . .
H22 H 0.2023 0.2442 0.3188 0.110 Uiso 1 1 calc R U . . .
C23 C 0.3370(11) 0.3278(16) 0.4297(8) 0.057(6) Uani 1 1 d . . . . .
C24 C 0.3924(10) 0.2742(15) 0.4547(7) 0.056(6) Uani 1 1 d D . . . .
C25 C 0.4114(9) 0.2081(14) 0.4292(10) 0.061(6) Uani 1 1 d D . . . .
H25 H 0.3898 0.1988 0.3905 0.073 Uiso 1 1 calc R U . . .
C27 C 0.4902(11) 0.1721(14) 0.5094(8) 0.063(7) Uani 1 1 d D . . . .
H27 H 0.5236 0.1358 0.5301 0.075 Uiso 1 1 calc R U . . .
C28 C 0.4736(7) 0.2416(10) 0.5342(7) 0.037(4) Uani 1 1 d D . . . .
H28 H 0.4973 0.2545 0.5721 0.044 Uiso 1 1 calc R U . . .
C29 C 0.3733(10) 0.7295(16) 0.4810(10) 0.056(3) Uani 1 1 d . U . . .
H29A H 0.4121 0.7158 0.5108 0.067 Uiso 1 1 calc R U . . .
H29B H 0.3748 0.7114 0.4450 0.067 Uiso 1 1 calc R U . . .
C30 C 0.3608(10) 0.8330(17) 0.4804(8) 0.068(4) Uani 1 1 d D U . . .
C31 C 0.3327(10) 0.8751(14) 0.4286(9) 0.074(4) Uani 1 1 d D U . . .
C32 C 0.3084(10) 0.8273(18) 0.3784(8) 0.072(4) Uani 1 1 d D U . . .
H32 H 0.3121 0.7623 0.3805 0.087 Uiso 1 1 calc R U . . .
C33 C 0.2793(11) 0.8646(16) 0.3254(10) 0.083(5) Uani 1 1 d D U . . .
H33 H 0.2631 0.8276 0.2930 0.099 Uiso 1 1 calc R U . . .
C34 C 0.2756(12) 0.9602(16) 0.3235(12) 0.086(5) Uani 1 1 d D U . . .
H34 H 0.2570 0.9895 0.2883 0.103 Uiso 1 1 calc R U . . .
C35 C 0.2983(12) 1.014(2) 0.3713(10) 0.092(5) Uani 1 1 d D U . . .
H35 H 0.2962 1.0792 0.3691 0.110 Uiso 1 1 calc R U . . .
C36 C 0.3244(12) 0.9700(14) 0.4227(10) 0.085(4) Uani 1 1 d D U . . .
C37 C 0.3441(12) 1.023(2) 0.4712(9) 0.089(5) Uani 1 1 d D U . . .
H37 H 0.3364 1.0867 0.4689 0.106 Uiso 1 1 calc R U . . .
C38 C 0.3748(13) 0.9828(14) 0.5232(10) 0.092(5) Uani 1 1 d D U . . .
C39 C 0.3960(14) 1.031(2) 0.5733(11) 0.100(5) Uani 1 1 d D U . . .
H39 H 0.3949 1.0963 0.5705 0.120 Uiso 1 1 calc R U . . .
C40 C 0.4185(14) 0.9952(17) 0.6271(13) 0.102(6) Uani 1 1 d D U . . .
H40 H 0.4259 1.0316 0.6594 0.123 Uiso 1 1 calc R U . . .
C41 C 0.4291(14) 0.9010(17) 0.6292(13) 0.100(6) Uani 1 1 d D U . . .
H41 H 0.4482 0.8719 0.6643 0.120 Uiso 1 1 calc R U . . .
C42 C 0.4122(12) 0.849(2) 0.5806(10) 0.090(5) Uani 1 1 d D U . . .
H42 H 0.4215 0.7853 0.5832 0.109 Uiso 1 1 calc R U . . .
C43 C 0.3818(12) 0.8876(14) 0.5282(10) 0.081(4) Uani 1 1 d D U . . .
C44 C 0.1301(10) 0.4871(18) 0.5213(9) 0.058(4) Uani 1 1 d . U . . .
H44A H 0.1399 0.4224 0.5328 0.069 Uiso 1 1 calc R U . . .
H44B H 0.1221 0.5185 0.5513 0.069 Uiso 1 1 calc R U . . .
C45 C 0.0760(11) 0.4883(16) 0.4706(10) 0.074(4) Uani 1 1 d D U . . .
C46 C 0.0620(11) 0.4171(19) 0.4316(10) 0.093(5) Uani 1 1 d D U . . .
C47 C 0.1006(14) 0.344(2) 0.4359(13) 0.104(6) Uani 1 1 d D U . . .
H47 H 0.1369 0.3415 0.4673 0.125 Uiso 1 1 calc R U . . .
C48 C 0.0873(14) 0.276(2) 0.3953(12) 0.115(6) Uani 1 1 d D U . . .
H48 H 0.1152 0.2306 0.3958 0.137 Uiso 1 1 calc R U . . .
C49 C 0.0305(13) 0.278(3) 0.3540(14) 0.120(6) Uani 1 1 d D U . . .
H49 H 0.0196 0.2278 0.3288 0.145 Uiso 1 1 calc R U . . .
C50 C -0.0123(16) 0.346(2) 0.3452(14) 0.118(6) Uani 1 1 d D U . . .
H50 H -0.0494 0.3468 0.3147 0.142 Uiso 1 1 calc R U . . .
C51 C 0.0069(11) 0.412(2) 0.3873(11) 0.104(5) Uani 1 1 d D U . . .
C52 C -0.0334(14) 0.4824(19) 0.3820(13) 0.104(5) Uani 1 1 d D U . . .
H52 H -0.0708 0.4806 0.3519 0.125 Uiso 1 1 calc R U . . .
C53 C -0.0204(10) 0.555(2) 0.4196(11) 0.096(5) Uani 1 1 d D U . . .
C54 C -0.0633(13) 0.6230(19) 0.4103(13) 0.098(5) Uani 1 1 d D U . . .
H54 H -0.1000 0.6212 0.3794 0.118 Uiso 1 1 calc R U . . .
C55 C -0.0485(12) 0.693(2) 0.4496(11) 0.098(5) Uani 1 1 d D U . . .
H55 H -0.0765 0.7409 0.4442 0.118 Uiso 1 1 calc R U . . .
C56 C 0.0044(10) 0.699(2) 0.4963(12) 0.092(5) Uani 1 1 d D U . . .
H56 H 0.0117 0.7472 0.5230 0.111 Uiso 1 1 calc R U . . .
C57 C 0.0458(12) 0.6309(18) 0.5013(12) 0.086(5) Uani 1 1 d D U . . .
H57 H 0.0831 0.6341 0.5315 0.103 Uiso 1 1 calc R U . . .
C58 C 0.0348(9) 0.5579(18) 0.4638(10) 0.084(4) Uani 1 1 d D U . . .
C61 C 0.1858(15) 0.676(3) 0.3059(13) 0.099(5) Uani 1 1 d . U . . .
C62 C 0.1702(15) 0.693(3) 0.2437(12) 0.115(8) Uani 1 1 d . U . . .
H62A H 0.2055 0.6844 0.2356 0.172 Uiso 1 1 calc R U . . .
H62B H 0.1552 0.7551 0.2339 0.172 Uiso 1 1 calc R U . . .
H62C H 0.1400 0.6485 0.2218 0.172 Uiso 1 1 calc R U . . .
C63 C 0.4289(11) 0.5907(15) 0.6242(8) 0.050(5) Uani 1 1 d . . . . .
C64 C 0.4542(9) 0.6532(17) 0.6739(9) 0.053(6) Uani 1 1 d . . . . .
H64A H 0.4892 0.6840 0.6733 0.079 Uiso 1 1 calc R U . . .
H64B H 0.4650 0.6169 0.7082 0.079 Uiso 1 1 calc R U . . .
H64C H 0.4247 0.6992 0.6727 0.079 Uiso 1 1 calc R U . . .
C65 C 0.2786(8) 0.3352(15) 0.5550(8) 0.042(5) Uani 1 1 d . . . . .
C66 C 0.2662(13) 0.2542(17) 0.5165(11) 0.069(8) Uani 1 1 d . . . . .
H66A H 0.2487 0.2754 0.4778 0.104 Uiso 1 1 calc R U . . .
H66B H 0.2388 0.2125 0.5237 0.104 Uiso 1 1 calc R U . . .
H66C H 0.3031 0.2217 0.5228 0.104 Uiso 1 1 calc R U . . .
C67 C 0.4335(11) 0.3333(15) 0.6627(9) 0.053(3) Uani 1 1 d . U . . .
C68 C 0.4744(12) 0.2663(19) 0.6999(10) 0.069(6) Uani 1 1 d . U . . .
H68A H 0.4767 0.2124 0.6784 0.103 Uiso 1 1 calc R U . . .
H68B H 0.4602 0.2475 0.7286 0.103 Uiso 1 1 calc R U . . .
H68C H 0.5135 0.2941 0.7177 0.103 Uiso 1 1 calc R U . . .
C69 C 0.2439(13) 0.409(2) 0.7006(10) 0.072(8) Uani 1 1 d . . . . .
C70 C 0.2017(13) 0.366(2) 0.7224(11) 0.088(10) Uani 1 1 d . . . . .
H70A H 0.1627 0.3937 0.7042 0.132 Uiso 1 1 calc R U . . .
H70B H 0.2160 0.3752 0.7627 0.132 Uiso 1 1 calc R U . . .
H70C H 0.1989 0.2996 0.7145 0.132 Uiso 1 1 calc R U . . .
C71 C 0.5238(8) 0.4850(12) 0.5284(7) 0.035(4) Uani 1 1 d . . . . .
C77 C 0.1388(12) 0.8456(18) 0.5929(9) 0.112(4) Uani 1 1 d D U . . .
C78 C 0.0886(15) 0.912(3) 0.5701(12) 0.121(6) Uani 1 1 d D U . . .
H78A H 0.1015 0.9728 0.5860 0.181 Uiso 1 1 calc R U . . .
H78B H 0.0561 0.8912 0.5801 0.181 Uiso 1 1 calc R U . . .
H78C H 0.0752 0.9147 0.5295 0.181 Uiso 1 1 calc R U . . .
N1 N 0.1674(10) 0.8948(17) 0.3943(10) 0.094(6) Uani 1 1 d D U . . .
N2 N 0.2407(11) 0.9560(16) 0.5365(12) 0.089(6) Uani 1 1 d . U . . .
N3 N 0.2644(10) 0.9014(15) 0.5846(11) 0.086(5) Uani 1 1 d . U . . .
N4 N 0.3077(9) 0.8022(14) 0.6756(10) 0.073(4) Uani 1 1 d . U . . .
N5 N 0.3375(9) 0.7516(14) 0.7248(9) 0.069(4) Uani 1 1 d . U . . .
N6 N 0.3766(7) 0.5163(10) 0.7465(6) 0.046(4) Uani 1 1 d D . . . .
N7 N 0.0561(9) 0.6951(16) 0.3516(9) 0.082(6) Uani 1 1 d D U . . .
N8 N 0.0941(10) 0.484(2) 0.3115(9) 0.092(6) Uani 1 1 d . U . . .
N9 N 0.1478(10) 0.439(2) 0.3324(9) 0.089(5) Uani 1 1 d . U . . .
N10 N 0.2484(10) 0.3468(18) 0.3652(9) 0.081(5) Uani 1 1 d . U . . .
N11 N 0.2995(10) 0.2939(18) 0.3811(9) 0.079(5) Uani 1 1 d . U . . .
N12 N 0.4252(7) 0.2942(11) 0.5086(6) 0.054(5) Uani 1 1 d D . . . .
N13 N 0.1701(11) 1.0846(18) 0.3817(10) 0.104(6) Uani 1 1 d D U . . .
N14 N 0.4338(10) 0.5793(15) 0.8557(9) 0.074(6) Uani 1 1 d D . . . .
N15 N -0.0538(11) 0.6440(18) 0.2741(10) 0.096(6) Uani 1 1 d D U . . .
N16 N 0.4589(9) 0.1545(14) 0.4550(7) 0.073(6) Uani 1 1 d D . . . .
O1 O 0.2210(8) 0.8144(11) 0.4929(8) 0.067(5) Uani 1 1 d . . . . .
O2 O 0.3152(6) 0.6305(10) 0.6633(6) 0.048(4) Uani 1 1 d . . . . .
O3 O 0.1465(6) 0.5801(12) 0.3850(6) 0.058(4) Uani 1 1 d . . . . .
O4 O 0.3263(6) 0.3954(9) 0.4540(5) 0.043(3) Uani 1 1 d . . . . .
O5 O 0.2550(6) 0.6689(11) 0.4391(6) 0.051(4) Uani 1 1 d . . . . .
O6 O 0.3137(5) 0.6898(9) 0.5475(5) 0.036(3) Uani 1 1 d . . . . .
O7 O 0.3315(6) 0.5606(9) 0.4941(5) 0.044(3) Uani 1 1 d . . . . .
O8 O 0.1785(6) 0.6429(10) 0.4983(5) 0.045(2) Uani 1 1 d . U . . .
O9 O 0.2454(6) 0.5499(10) 0.5743(5) 0.045(2) Uani 1 1 d . U . . .
O10 O 0.2174(6) 0.4837(9) 0.4759(5) 0.042(2) Uani 1 1 d . U . . .
O11 O 0.1684(8) 0.7339(17) 0.3330(8) 0.091(5) Uani 1 1 d . U . . .
O12 O 0.2151(9) 0.6010(17) 0.3239(7) 0.093(5) Uani 1 1 d . U . . .
O14 O 0.1581(9) 0.7999(16) 0.5630(10) 0.102(4) Uani 1 1 d D U . . .
O15 O 0.2911(9) 0.3640(14) 0.7069(7) 0.073(5) Uani 1 1 d . . . . .
O16 O 0.2326(8) 0.4808(16) 0.6745(7) 0.076(6) Uani 1 1 d . . . . .
O17 O 0.2522(6) 0.3458(11) 0.5887(6) 0.051(4) Uani 1 1 d . . . . .
O18 O 0.3213(7) 0.3904(10) 0.5624(5) 0.049(4) Uani 1 1 d . . . . .
O19 O 0.3901(6) 0.5334(9) 0.6210(6) 0.046(3) Uani 1 1 d . . . . .
O20 O 0.4497(7) 0.5933(10) 0.5866(6) 0.048(4) Uani 1 1 d . . . . .
O21 O 0.3912(7) 0.3612(10) 0.6755(6) 0.054(3) Uani 1 1 d . U . . .
O22 O 0.4435(7) 0.3623(10) 0.6220(5) 0.049(3) Uani 1 1 d . U . . .
O24 O 0.5041(6) 0.4468(9) 0.5619(5) 0.042(3) Uani 1 1 d . . . . .
O25 O 0.5741(6) 0.4988(11) 0.5352(5) 0.046(3) Uani 1 1 d . . . . .
O26 O 0.1675(12) 0.834(2) 0.6441(11) 0.141(6) Uani 1 1 d D U . . .
O1W O 0.1944(8) 0.6573(15) 0.6364(8) 0.086(6) Uani 1 1 d . . . . .
H1WB H 0.1629 0.6875 0.6300 0.129 Uiso 1 1 d R U . . .
H1WA H 0.1859 0.6017 0.6267 0.129 Uiso 1 1 d R U . . .
O2W O 0.3242(7) 0.5346(13) 0.3800(6) 0.066(5) Uani 1 1 d . . . . .
H2WA H 0.3397 0.4831 0.3782 0.099 Uiso 1 1 d R U . . .
H2WB H 0.3118 0.5603 0.3482 0.099 Uiso 1 1 d R U . . .
O3W O 0.0992(7) 0.8050(14) 0.4519(9) 0.087(6) Uani 1 1 d . U . . .
H3WB H 0.0892 0.7696 0.4726 0.130 Uiso 1 1 d R U . . .
H3WA H 0.1173 0.8512 0.4706 0.130 Uiso 1 1 d R U . . .
O4W O 0.2451(14) 0.481(3) 0.2442(10) 0.067(10) Uani 0.5 1 d . . P A 1
O5W O 0.146(2) 0.377(2) 0.1821(19) 0.096(14) Uani 0.5 1 d . . P B 1
O6W O 0.0505(19) 0.471(4) 0.1843(15) 0.108(16) Uani 0.5 1 d . . P C 1
O7W O 0.322(2) 0.177(3) 0.6638(19) 0.099(13) Uani 0.5 1 d . U P D 1
O8W O 0.2003(14) 0.196(2) 0.6168(13) 0.056(8) Uani 0.5 1 d . U P E 1
O9W O 0.154(2) 0.099(4) 0.531(2) 0.118(16) Uani 0.5 1 d . U P F 1
O10W O 0.050(2) 0.986(4) 0.412(2) 0.126(18) Uani 0.5 1 d . U P G 1
O11W O 0.357(2) 0.101(4) 0.765(2) 0.123(17) Uani 0.5 1 d . U P H 1
O12W O 0.3410(15) 0.244(2) 0.7938(13) 0.067(9) Uani 0.5 1 d . U P I 1
O13W O 0.5575(14) 0.480(2) 0.6843(13) 0.064(8) Uani 0.5 1 d . U P J 1
O14W O 0.3660(12) 0.6446(18) 0.3244(11) 0.126(9) Uani 1 1 d . U . . .
H14A H 0.3568 0.6775 0.2953 0.189 Uiso 1 1 d R U . . .
H14B H 0.4032 0.6466 0.3426 0.189 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'
P P 0.1023 0.0942 '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 Dy1 O5 77.4(6) . .
O1 Dy1 O11 123.5(7) . .
O5 Dy1 O11 79.1(6) . .
O1 Dy1 O3 143.6(6) . .
O5 Dy1 O3 75.5(5) . .
O11 Dy1 O3 74.2(7) . .
O1 Dy1 O8 73.3(5) . .
O5 Dy1 O8 78.2(5) . .
O11 Dy1 O8 147.4(7) . .
O3 Dy1 O8 77.7(5) . .
O1 Dy1 O3W 73.5(7) . .
O5 Dy1 O3W 147.6(6) . .
O11 Dy1 O3W 129.4(7) . .
O3 Dy1 O3W 122.6(6) . .
O8 Dy1 O3W 80.2(6) . .
O1 Dy1 N1 67.0(7) . .
O5 Dy1 N1 106.7(6) . .
O11 Dy1 N1 72.0(9) . .
O3 Dy1 N1 144.9(7) . .
O8 Dy1 N1 137.4(7) . .
O3W Dy1 N1 74.5(7) . .
O1 Dy1 N7 144.4(7) . .
O5 Dy1 N7 138.1(6) . .
O11 Dy1 N7 76.8(7) . .
O3 Dy1 N7 65.2(6) . .
O8 Dy1 N7 105.9(6) . .
O3W Dy1 N7 71.3(7) . .
N1 Dy1 N7 97.7(7) . .
O6 Dy2 O14 142.7(7) . .
O6 Dy2 O1W 142.4(6) . .
O14 Dy2 O1W 70.0(8) . .
O6 Dy2 O8 83.6(4) . .
O14 Dy2 O8 77.4(7) . .
O1W Dy2 O8 90.2(6) . .
O6 Dy2 O2 81.9(5) . .
O14 Dy2 O2 135.3(7) . .
O1W Dy2 O2 69.1(6) . .
O8 Dy2 O2 119.5(5) . .
O6 Dy2 O9 74.6(4) . .
O14 Dy2 O9 119.1(7) . .
O1W Dy2 O9 70.7(6) . .
O8 Dy2 O9 58.3(5) . .
O2 Dy2 O9 61.3(4) . .
O6 Dy2 O1 72.1(5) . .
O14 Dy2 O1 70.9(7) . .
O1W Dy2 O1 137.7(6) . .
O8 Dy2 O1 66.0(5) . .
O2 Dy2 O1 152.9(5) . .
O9 Dy2 O1 116.9(5) . .
O6 Dy2 N4 102.9(6) . .
O14 Dy2 N4 98.4(7) . .
O1W Dy2 N4 83.2(7) . .
O8 Dy2 N4 173.1(6) . .
O2 Dy2 N4 59.7(6) . .
O9 Dy2 N4 120.6(6) . .
O1 Dy2 N4 118.2(7) . .
O6 Dy2 N3 94.2(7) . .
O14 Dy2 N3 70.4(8) . .
O1W Dy2 N3 119.9(8) . .
O8 Dy2 N3 122.2(6) . .
O2 Dy2 N3 117.2(6) . .
O9 Dy2 N3 168.8(7) . .
O1 Dy2 N3 58.7(7) . .
N4 Dy2 N3 60.4(8) . .
O9 Dy3 O21 151.6(5) . .
O9 Dy3 O19 91.0(5) . .
O21 Dy3 O19 75.9(5) . .
O9 Dy3 O2 66.5(5) . .
O21 Dy3 O2 130.8(5) . .
O19 Dy3 O2 74.4(5) . .
O9 Dy3 O17 78.4(5) . .
O21 Dy3 O17 87.0(5) . .
O19 Dy3 O17 121.7(4) . .
O2 Dy3 O17 142.1(5) . .
O9 Dy3 O16 76.0(5) . .
O21 Dy3 O16 125.5(6) . .
O19 Dy3 O16 152.6(6) . .
O2 Dy3 O16 78.3(6) . .
O17 Dy3 O16 79.8(6) . .
O9 Dy3 O18 80.4(5) . .
O21 Dy3 O18 71.4(5) . .
O19 Dy3 O18 69.5(5) . .
O2 Dy3 O18 129.9(5) . .
O17 Dy3 O18 52.3(4) . .
O16 Dy3 O18 129.9(5) . .
O9 Dy3 O15 122.7(6) . .
O21 Dy3 O15 73.6(6) . .
O19 Dy3 O15 146.3(6) . .
O2 Dy3 O15 116.5(6) . .
O17 Dy3 O15 70.8(5) . .
O16 Dy3 O15 52.1(7) . .
O18 Dy3 O15 112.9(6) . .
O9 Dy3 N6 129.8(5) . .
O21 Dy3 N6 75.7(5) . .
O19 Dy3 N6 87.7(5) . .
O2 Dy3 N6 64.9(4) . .
O17 Dy3 N6 141.3(5) . .
O16 Dy3 N6 82.7(5) . .
O18 Dy3 N6 143.4(5) . .
O15 Dy3 N6 71.1(5) . .
O7 Dy4 O22 148.6(4) . .
O7 Dy4 O18 84.1(5) . .
O22 Dy4 O18 73.7(5) . .
O7 Dy4 O4 67.1(5) . .
O22 Dy4 O4 124.8(5) . .
O18 Dy4 O4 73.8(5) . .
O7 Dy4 O24 129.0(4) . .
O22 Dy4 O24 72.8(5) . .
O18 Dy4 O24 146.0(5) . .
O4 Dy4 O24 122.2(4) . .
O7 Dy4 O25 74.1(5) . 3_666
O22 Dy4 O25 135.9(5) . 3_666
O18 Dy4 O25 143.3(5) . 3_666
O4 Dy4 O25 70.7(4) . 3_666
O24 Dy4 O25 65.6(4) . 3_666
O7 Dy4 O20 78.5(5) . .
O22 Dy4 O20 93.6(5) . .
O18 Dy4 O20 120.5(5) . .
O4 Dy4 O20 141.5(5) . .
O24 Dy4 O20 67.8(5) . .
O25 Dy4 O20 84.0(5) 3_666 .
O7 Dy4 O19 80.2(5) . .
O22 Dy4 O19 71.2(5) . .
O18 Dy4 O19 68.8(5) . .
O4 Dy4 O19 132.1(5) . .
O24 Dy4 O19 105.4(5) . .
O25 Dy4 O19 133.1(5) 3_666 .
O20 Dy4 O19 52.4(4) . .
O7 Dy4 N12 130.9(4) . .
O22 Dy4 N12 73.8(5) . .
O18 Dy4 N12 94.1(5) . .
O4 Dy4 N12 65.5(5) . .
O24 Dy4 N12 70.8(5) . .
O25 Dy4 N12 79.3(5) 3_666 .
O20 Dy4 N12 138.7(5) . .
O19 Dy4 N12 144.1(5) . .
O10 Dy5 O2W 145.7(5) . .
O10 Dy5 O12 139.5(6) . .
O2W Dy5 O12 69.4(6) . .
O10 Dy5 O5 84.5(5) . .
O2W Dy5 O5 88.5(6) . .
O12 Dy5 O5 75.2(7) . .
O10 Dy5 O3 71.0(5) . .
O2W Dy5 O3 136.7(6) . .
O12 Dy5 O3 69.2(6) . .
O5 Dy5 O3 69.6(5) . .
O10 Dy5 O4 85.3(5) . .
O2W Dy5 O4 69.2(5) . .
O12 Dy5 O4 135.2(6) . .
O5 Dy5 O4 119.7(4) . .
O3 Dy5 O4 154.0(5) . .
O10 Dy5 O7 74.4(4) . .
O2W Dy5 O7 73.3(5) . .
O12 Dy5 O7 120.1(7) . .
O5 Dy5 O7 58.6(5) . .
O3 Dy5 O7 119.2(5) . .
O4 Dy5 O7 61.5(4) . .
O10 Dy5 N9 93.2(7) . .
O2W Dy5 N9 118.0(7) . .
O12 Dy5 N9 71.9(9) . .
O5 Dy5 N9 125.1(7) . .
O3 Dy5 N9 58.1(7) . .
O4 Dy5 N9 114.7(7) . .
O7 Dy5 N9 167.0(7) . .
O10 Dy5 N10 104.3(7) . .
O2W Dy5 N10 81.3(7) . .
O12 Dy5 N10 100.4(8) . .
O5 Dy5 N10 169.7(6) . .
O3 Dy5 N10 118.0(6) . .
O4 Dy5 N10 56.9(5) . .
O7 Dy5 N10 118.1(6) . .
N9 Dy5 N10 60.6(7) . .
O6 P1 O7 109.7(8) . .
O6 P1 O5 116.4(8) . .
O7 P1 O5 102.8(8) . .
O6 P1 C29 109.3(10) . .
O7 P1 C29 108.3(9) . .
O5 P1 C29 110.0(9) . .
O9 P2 O8 103.6(8) . .
O9 P2 O10 110.6(8) . .
O8 P2 O10 116.6(8) . .
O9 P2 C44 108.9(9) . .
O8 P2 C44 106.2(10) . .
O10 P2 C44 110.4(10) . .
C2 C1 N1 118(3) . .
C2 C1 H1 121.0 . .
N1 C1 H1 121.0 . .
N13 C2 C1 126(3) . .
N13 C2 H2 117.0 . .
C1 C2 H2 117.0 . .
N13 C4 C5 121(3) . .
N13 C4 H4 119.4 . .
C5 C4 H4 119.4 . .
N1 C5 C4 123(3) . .
N1 C5 C6 114(2) . .
C4 C5 C6 124(2) . .
O1 C6 N2 128(3) . .
O1 C6 C5 118(2) . .
N2 C6 C5 115(2) . .
N3 C7 C8 116(3) . .
N3 C7 H7 122.0 . .
C8 C7 H7 122.0 . .
N4 C8 C7 118(3) . .
N4 C8 H8 120.9 . .
C7 C8 H8 120.9 . .
N5 C9 O2 126(3) . .
N5 C9 C10 115(2) . .
O2 C9 C10 118.6(18) . .
N6 C10 C11 124(2) . .
N6 C10 C9 113.0(15) . .
C11 C10 C9 122.9(17) . .
N14 C11 C10 121(2) . .
N14 C11 H11 119.7 . .
C10 C11 H11 119.7 . .
N14 C13 C14 121(2) . .
N14 C13 H13 119.3 . .
C14 C13 H13 119.3 . .
C13 C14 N6 123.4(19) . .
C13 C14 H14 118.3 . .
N6 C14 H14 118.3 . .
N7 C15 C16 121(3) . .
N7 C15 H15 119.5 . .
C16 C15 H15 119.5 . .
N15 C16 C15 124(3) . .
N15 C16 H16 118.2 . .
C15 C16 H16 118.2 . .
N15 C18 C19 120(3) . .
N15 C18 H18 119.8 . .
C19 C18 H18 119.8 . .
N7 C19 C18 124(3) . .
N7 C19 C20 110.8(19) . .
C18 C19 C20 125(2) . .
O3 C20 N8 128(2) . .
O3 C20 C19 120(2) . .
N8 C20 C19 112(2) . .
N9 C21 C22 117(3) . .
N9 C21 H21 121.6 . .
C22 C21 H21 121.6 . .
N10 C22 C21 118(3) . .
N10 C22 H22 120.8 . .
C21 C22 H22 120.8 . .
O4 C23 N11 124(2) . .
O4 C23 C24 122.0(18) . .
N11 C23 C24 113.5(19) . .
N12 C24 C25 118.8(19) . .
N12 C24 C23 114.7(15) . .
C25 C24 C23 126.4(16) . .
N16 C25 C24 125(2) . .
N16 C25 H25 117.7 . .
C24 C25 H25 117.7 . .
C28 C27 N16 119(2) . .
C28 C27 H27 120.3 . .
N16 C27 H27 120.3 . .
C27 C28 N12 124.2(18) . .
C27 C28 H28 117.9 . .
N12 C28 H28 117.9 . .
C30 C29 P1 111.0(15) . .
C30 C29 H29A 109.4 . .
P1 C29 H29A 109.4 . .
C30 C29 H29B 109.4 . .
P1 C29 H29B 109.4 . .
H29A C29 H29B 108.0 . .
C43 C30 C31 119(2) . .
C43 C30 C29 123.2(19) . .
C31 C30 C29 118(2) . .
C32 C31 C36 114(2) . .
C32 C31 C30 123.9(19) . .
C36 C31 C30 122(2) . .
C33 C32 C31 127(2) . .
C33 C32 H32 116.5 . .
C31 C32 H32 116.5 . .
C32 C33 C34 115(3) . .
C32 C33 H33 122.4 . .
C34 C33 H33 122.4 . .
C33 C34 C35 122(3) . .
C33 C34 H34 118.9 . .
C35 C34 H34 118.9 . .
C34 C35 C36 118(3) . .
C34 C35 H35 120.9 . .
C36 C35 H35 120.9 . .
C37 C36 C35 119(2) . .
C37 C36 C31 117(2) . .
C35 C36 C31 124(2) . .
C38 C37 C36 121(3) . .
C38 C37 H37 119.4 . .
C36 C37 H37 119.4 . .
C37 C38 C39 124(2) . .
C37 C38 C43 120(2) . .
C39 C38 C43 115(2) . .
C40 C39 C38 128(3) . .
C40 C39 H39 116.2 . .
C38 C39 H39 116.2 . .
C39 C40 C41 114(3) . .
C39 C40 H40 123.1 . .
C41 C40 H40 123.1 . .
C42 C41 C40 121(3) . .
C42 C41 H41 119.5 . .
C40 C41 H41 119.5 . .
C41 C42 C43 122(3) . .
C41 C42 H42 119.2 . .
C43 C42 H42 119.2 . .
C42 C43 C30 121(2) . .
C42 C43 C38 120(2) . .
C30 C43 C38 119(2) . .
C45 C44 P2 115.8(16) . .
C45 C44 H44A 108.3 . .
P2 C44 H44A 108.3 . .
C45 C44 H44B 108.3 . .
P2 C44 H44B 108.3 . .
H44A C44 H44B 107.4 . .
C58 C45 C46 119(2) . .
C58 C45 C44 119(2) . .
C46 C45 C44 122(2) . .
C45 C46 C47 122(2) . .
C45 C46 C51 122(2) . .
C47 C46 C51 116(2) . .
C48 C47 C46 122(3) . .
C48 C47 H47 119.0 . .
C46 C47 H47 119.0 . .
C49 C48 C47 116(3) . .
C49 C48 H48 122.1 . .
C47 C48 H48 122.1 . .
C48 C49 C50 128(4) . .
C48 C49 H49 116.2 . .
C50 C49 H49 116.2 . .
C49 C50 C51 111(3) . .
C49 C50 H50 124.5 . .
C51 C50 H50 124.5 . .
C52 C51 C50 115(2) . .
C52 C51 C46 118(3) . .
C50 C51 C46 127(3) . .
C53 C52 C51 122(3) . .
C53 C52 H52 119.0 . .
C51 C52 H52 119.0 . .
C54 C53 C52 118(2) . .
C54 C53 C58 124(3) . .
C52 C53 C58 119(3) . .
C55 C54 C53 115(3) . .
C55 C54 H54 122.3 . .
C53 C54 H54 122.3 . .
C54 C55 C56 125(3) . .
C54 C55 H55 117.4 . .
C56 C55 H55 117.4 . .
C55 C56 C57 116(3) . .
C55 C56 H56 122.1 . .
C57 C56 H56 122.1 . .
C56 C57 C58 123(3) . .
C56 C57 H57 118.6 . .
C58 C57 H57 118.6 . .
C45 C58 C57 122(2) . .
C45 C58 C53 121(2) . .
C57 C58 C53 117(2) . .
O11 C61 O12 128(3) . .
O11 C61 C62 119(3) . .
O12 C61 C62 113(3) . .
C61 C62 H62A 109.5 . .
C61 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
C61 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
O19 C63 O20 119.9(19) . .
O19 C63 C64 120.6(19) . .
O20 C63 C64 119(2) . .
C63 C64 H64A 109.5 . .
C63 C64 H64B 109.5 . .
H64A C64 H64B 109.5 . .
C63 C64 H64C 109.5 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
O18 C65 O17 115.2(19) . .
O18 C65 C66 122.5(18) . .
O17 C65 C66 121.6(18) . .
C65 C66 H66A 109.5 . .
C65 C66 H66B 109.5 . .
H66A C66 H66B 109.5 . .
C65 C66 H66C 109.5 . .
H66A C66 H66C 109.5 . .
H66B C66 H66C 109.5 . .
O22 C67 O21 124(2) . .
O22 C67 C68 118(2) . .
O21 C67 C68 117.4(19) . .
C67 C68 H68A 109.5 . .
C67 C68 H68B 109.5 . .
H68A C68 H68B 109.5 . .
C67 C68 H68C 109.5 . .
H68A C68 H68C 109.5 . .
H68B C68 H68C 109.5 . .
O16 C69 O15 120(2) . .
O16 C69 C70 122(3) . .
O15 C69 C70 118(3) . .
C69 C70 H70A 109.5 . .
C69 C70 H70B 109.5 . .
H70A C70 H70B 109.5 . .
C69 C70 H70C 109.5 . .
H70A C70 H70C 109.5 . .
H70B C70 H70C 109.5 . .
O25 C71 O24 128.2(17) . .
O25 C71 C71 117(2) . 3_666
O24 C71 C71 115(2) . 3_666
O14 C77 O26 113(3) . .
O14 C77 C78 123.6(16) . .
O26 C77 C78 123.1(16) . .
C77 C78 H78A 109.5 . .
C77 C78 H78B 109.5 . .
H78A C78 H78B 109.5 . .
C77 C78 H78C 109.5 . .
H78A C78 H78C 109.5 . .
H78B C78 H78C 109.5 . .
C5 N1 C1 118(3) . .
C5 N1 Dy1 115.2(16) . .
C1 N1 Dy1 126.8(19) . .
C6 N2 N3 109(2) . .
C7 N3 N2 116(2) . .
C7 N3 Dy2 121(2) . .
N2 N3 Dy2 122.2(16) . .
C8 N4 N5 115(2) . .
C8 N4 Dy2 123(2) . .
N5 N4 Dy2 121.8(14) . .
C9 N5 N4 109(2) . .
C10 N6 C14 113.2(18) . .
C10 N6 Dy3 118.6(11) . .
C14 N6 Dy3 127.3(12) . .
C19 N7 C15 115(3) . .
C19 N7 Dy1 117.0(15) . .
C15 N7 Dy1 128.1(18) . .
C20 N8 N9 105.3(19) . .
C21 N9 N8 114(2) . .
C21 N9 Dy5 122.0(19) . .
N8 N9 Dy5 123.8(18) . .
C22 N10 N11 114(2) . .
C22 N10 Dy5 122(2) . .
N11 N10 Dy5 123.6(15) . .
C23 N11 N10 107(2) . .
C24 N12 C28 116.5(16) . .
C24 N12 Dy4 113.9(11) . .
C28 N12 Dy4 128.0(11) . .
C2 N13 C4 115(3) . .
C11 N14 C13 116(2) . .
C16 N15 C18 116(3) . .
C25 N16 C27 116(2) . .
C6 O1 Dy1 124.4(17) . .
C6 O1 Dy2 121.1(17) . .
Dy1 O1 Dy2 109.5(7) . .
C9 O2 Dy3 124.3(15) . .
C9 O2 Dy2 120.4(14) . .
Dy3 O2 Dy2 113.8(5) . .
C20 O3 Dy1 123.0(16) . .
C20 O3 Dy5 122.2(15) . .
Dy1 O3 Dy5 106.4(6) . .
C23 O4 Dy4 120.9(15) . .
C23 O4 Dy5 123.7(14) . .
Dy4 O4 Dy5 113.2(5) . .
P1 O5 Dy1 136.6(9) . .
P1 O5 Dy5 100.6(7) . .
Dy1 O5 Dy5 108.5(6) . .
P1 O6 Dy2 138.7(8) . .
P1 O7 Dy4 144.4(8) . .
P1 O7 Dy5 98.0(7) . .
Dy4 O7 Dy5 117.6(5) . .
P2 O8 Dy1 134.2(8) . .
P2 O8 Dy2 100.2(7) . .
Dy1 O8 Dy2 111.0(5) . .
P2 O9 Dy3 144.0(9) . .
P2 O9 Dy2 97.9(7) . .
Dy3 O9 Dy2 117.7(5) . .
P2 O10 Dy5 137.0(8) . .
C61 O11 Dy1 132(2) . .
C61 O12 Dy5 137(2) . .
C77 O14 Dy2 132.2(19) . .
C69 O15 Dy3 92.4(16) . .
C69 O16 Dy3 94.9(18) . .
C65 O17 Dy3 96.6(12) . .
C65 O18 Dy4 153.6(13) . .
C65 O18 Dy3 95.9(12) . .
Dy4 O18 Dy3 110.5(5) . .
C63 O19 Dy3 155.3(14) . .
C63 O19 Dy4 93.4(12) . .
Dy3 O19 Dy4 111.2(5) . .
C63 O20 Dy4 93.7(13) . .
C67 O21 Dy3 138.2(13) . .
C67 O22 Dy4 140.3(14) . .
C71 O24 Dy4 119.5(12) . .
C71 O25 Dy4 121.4(12) . 3_666
Dy2 O1W H1WB 109.3 . .
Dy2 O1W H1WA 109.0 . .
H1WB O1W H1WA 109.4 . .
Dy5 O2W H2WA 109.2 . .
Dy5 O2W H2WB 109.0 . .
H2WA O2W H2WB 109.5 . .
Dy1 O3W H3WB 110.1 . .
Dy1 O3W H3WA 107.9 . .
H3WB O3W H3WA 109.5 . .
H14A O14W H14B 109.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O1 2.272(19) .
Dy1 O5 2.276(15) .
Dy1 O11 2.298(19) .
Dy1 O3 2.304(17) .
Dy1 O8 2.307(14) .
Dy1 O3W 2.357(18) .
Dy1 N1 2.53(2) .
Dy1 N7 2.59(2) .
Dy2 O6 2.237(11) .
Dy2 O14 2.32(2) .
Dy2 O1W 2.432(19) .
Dy2 O8 2.471(13) .
Dy2 O2 2.516(14) .
Dy2 O9 2.527(14) .
Dy2 O1 2.548(18) .
Dy2 N4 2.58(2) .
Dy2 N3 2.64(2) .
Dy3 O9 2.282(14) .
Dy3 O21 2.335(15) .
Dy3 O19 2.339(14) .
Dy3 O2 2.400(14) .
Dy3 O17 2.449(14) .
Dy3 O16 2.468(18) .
Dy3 O18 2.472(13) .
Dy3 O15 2.485(16) .
Dy3 N6 2.594(16) .
Dy4 O7 2.287(15) .
Dy4 O22 2.347(13) .
Dy4 O18 2.370(14) .
Dy4 O4 2.426(12) .
Dy4 O24 2.426(14) .
Dy4 O25 2.441(13) 3_666
Dy4 O20 2.462(14) .
Dy4 O19 2.483(13) .
Dy4 N12 2.610(16) .
Dy5 O10 2.197(12) .
Dy5 O2W 2.349(15) .
Dy5 O12 2.380(18) .
Dy5 O5 2.440(16) .
Dy5 O3 2.474(15) .
Dy5 O4 2.543(14) .
Dy5 O7 2.559(14) .
Dy5 N9 2.63(2) .
Dy5 N10 2.63(2) .
P1 O6 1.506(12) .
P1 O7 1.528(15) .
P1 O5 1.604(15) .
P1 C29 1.84(2) .
P2 O9 1.549(14) .
P2 O8 1.549(15) .
P2 O10 1.577(14) .
P2 C44 1.87(2) .
C1 C2 1.354(14) .
C1 N1 1.356(14) .
C1 H1 0.9500 .
C2 N13 1.353(14) .
C2 H2 0.9500 .
C4 N13 1.355(14) .
C4 C5 1.356(14) .
C4 H4 0.9500 .
C5 N1 1.355(14) .
C5 C6 1.51(4) .
C6 O1 1.29(3) .
C6 N2 1.29(3) .
C7 N3 1.30(3) .
C7 C8 1.45(4) .
C7 H7 0.9500 .
C8 N4 1.27(3) .
C8 H8 0.9500 .
C9 N5 1.29(3) .
C9 O2 1.29(2) .
C9 C10 1.54(3) .
C10 N6 1.344(11) .
C10 C11 1.350(11) .
C11 N14 1.343(11) .
C11 H11 0.9500 .
C13 N14 1.344(11) .
C13 C14 1.345(11) .
C13 H13 0.9500 .
C14 N6 1.348(11) .
C14 H14 0.9500 .
C15 N7 1.340(13) .
C15 C16 1.342(13) .
C15 H15 0.9500 .
C16 N15 1.340(13) .
C16 H16 0.9500 .
C18 N15 1.340(13) .
C18 C19 1.342(13) .
C18 H18 0.9500 .
C19 N7 1.340(13) .
C19 C20 1.52(3) .
C20 O3 1.27(3) .
C20 N8 1.31(3) .
C21 N9 1.34(4) .
C21 C22 1.41(4) .
C21 H21 0.9500 .
C22 N10 1.32(3) .
C22 H22 0.9500 .
C23 O4 1.25(2) .
C23 N11 1.34(3) .
C23 C24 1.49(3) .
C24 N12 1.350(11) .
C24 C25 1.353(11) .
C25 N16 1.348(11) .
C25 H25 0.9500 .
C27 C28 1.347(11) .
C27 N16 1.348(11) .
C27 H27 0.9500 .
C28 N12 1.353(11) .
C28 H28 0.9500 .
C29 C30 1.54(3) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 C43 1.396(9) .
C30 C31 1.396(9) .
C31 C32 1.395(9) .
C31 C36 1.396(9) .
C32 C33 1.394(9) .
C32 H32 0.9500 .
C33 C34 1.394(9) .
C33 H33 0.9500 .
C34 C35 1.395(9) .
C34 H34 0.9500 .
C35 C36 1.396(9) .
C35 H35 0.9500 .
C36 C37 1.394(9) .
C37 C38 1.393(9) .
C37 H37 0.9500 .
C38 C39 1.395(9) .
C38 C43 1.397(9) .
C39 C40 1.393(9) .
C39 H39 0.9500 .
C40 C41 1.395(9) .
C40 H40 0.9500 .
C41 C42 1.393(9) .
C41 H41 0.9500 .
C42 C43 1.395(9) .
C42 H42 0.9500 .
C44 C45 1.47(3) .
C44 H44A 0.9900 .
C44 H44B 0.9900 .
C45 C58 1.397(9) .
C45 C46 1.398(9) .
C46 C47 1.398(9) .
C46 C51 1.400(9) .
C47 C48 1.396(9) .
C47 H47 0.9500 .
C48 C49 1.395(9) .
C48 H48 0.9500 .
C49 C50 1.395(9) .
C49 H49 0.9500 .
C50 C51 1.397(9) .
C50 H50 0.9500 .
C51 C52 1.396(9) .
C52 C53 1.395(9) .
C52 H52 0.9500 .
C53 C54 1.395(9) .
C53 C58 1.398(9) .
C54 C55 1.393(9) .
C54 H54 0.9500 .
C55 C56 1.395(9) .
C55 H55 0.9500 .
C56 C57 1.397(9) .
C56 H56 0.9500 .
C57 C58 1.397(9) .
C57 H57 0.9500 .
C61 O11 1.28(4) .
C61 O12 1.29(4) .
C61 C62 1.53(4) .
C62 H62A 0.9800 .
C62 H62B 0.9800 .
C62 H62C 0.9800 .
C63 O19 1.25(3) .
C63 O20 1.27(2) .
C63 C64 1.51(3) .
C64 H64A 0.9800 .
C64 H64B 0.9800 .
C64 H64C 0.9800 .
C65 O18 1.28(2) .
C65 O17 1.29(2) .
C65 C66 1.50(3) .
C66 H66A 0.9800 .
C66 H66B 0.9800 .
C66 H66C 0.9800 .
C67 O22 1.25(2) .
C67 O21 1.28(3) .
C67 C68 1.46(3) .
C68 H68A 0.9800 .
C68 H68B 0.9800 .
C68 H68C 0.9800 .
C69 O16 1.22(4) .
C69 O15 1.29(3) .
C69 C70 1.50(4) .
C70 H70A 0.9800 .
C70 H70B 0.9800 .
C70 H70C 0.9800 .
C71 O25 1.20(2) .
C71 O24 1.28(2) .
C71 C71 1.55(4) 3_666
C77 O14 1.25(2) .
C77 O26 1.26(2) .
C77 C78 1.497(10) .
C78 H78A 0.9800 .
C78 H78B 0.9800 .
C78 H78C 0.9800 .
N2 N3 1.41(3) .
N4 N5 1.41(3) .
N8 N9 1.38(3) .
N10 N11 1.39(3) .
O25 Dy4 2.441(13) 3_666
O1W H1WB 0.8510 .
O1W H1WA 0.8500 .
O2W H2WA 0.8502 .
O2W H2WB 0.8498 .
O3W H3WB 0.8499 .
O3W H3WA 0.8500 .
O14W H14A 0.8498 .
O14W H14B 0.8511 .
