#------------------------------------------------------------------------------
#$Date: 2019-11-17 08:06:41 +0200 (Sun, 17 Nov 2019) $
#$Revision: 228803 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/96/1549645.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_1549645
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                 112.968(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   24.6145(16)
_cell_length_b                   14.5657(11)
_cell_length_c                   26.0805(18)
_cell_measurement_reflns_used    9932
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.534
_cell_measurement_theta_min      2.613
_cell_volume                     8609.3(11)
_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 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0693
_diffrn_reflns_av_unetI/netI     0.0713
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            61489
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         2.019
_exptl_absorpt_coefficient_mu    4.415
_exptl_absorpt_correction_T_max  0.472
_exptl_absorpt_correction_T_min  0.260
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker, 2000)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.933
_exptl_crystal_description       block
_exptl_crystal_F_000             4848
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         4.864
_refine_diff_density_min         -3.649
_refine_diff_density_rms         0.278
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1159
_refine_ls_number_reflns         16888
_refine_ls_number_restraints     884
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.1247
_refine_ls_R_factor_gt           0.0832
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[σ²(Fo²)+(0.0457P)²+390.6493P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1761
_refine_ls_wR_factor_ref         0.2017
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11895
_reflns_number_total             16888
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8sc01228h2.cif
_cod_data_source_block           I-A-Ar-cool
_cod_depositor_comments
'Adding full bibliography for 1549643--1549647.cif.'
_cod_database_code               1549645
_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   0.271
_shelx_estimated_absorpt_t_max   0.472
_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 0.16342(3) 0.72738(6) 0.41909(4) 0.0476(2) Uani 1 1 d . U . . .
Dy2 Dy 0.24624(3) 0.72241(5) 0.58239(3) 0.03662(19) Uani 1 1 d . U . . .
Dy3 Dy 0.31547(3) 0.46926(5) 0.64387(3) 0.02977(17) Uani 1 1 d . . . . .
Dy4 Dy 0.39918(3) 0.45128(4) 0.54122(3) 0.02405(16) Uani 1 1 d . . . . .
Dy5 Dy 0.24452(3) 0.51048(6) 0.40623(3) 0.0371(2) Uani 1 1 d . . . . .
P1 P 0.31596(16) 0.6616(3) 0.49284(17) 0.0316(8) Uani 1 1 d . U . . .
P2 P 0.19585(17) 0.5412(3) 0.51517(16) 0.0314(8) Uani 1 1 d . U . . .
C1 C 0.1441(9) 0.9345(13) 0.3448(10) 0.082(5) Uani 1 1 d D U . . .
H1 H 0.1267 0.8971 0.3127 0.098 Uiso 1 1 calc R U . . .
C2 C 0.1437(10) 1.0261(11) 0.3387(10) 0.088(5) Uani 1 1 d D U . . .
H2 H 0.1233 1.0513 0.3026 0.105 Uiso 1 1 calc R U . . .
C4 C 0.1943(9) 1.0423(12) 0.4313(10) 0.083(5) Uani 1 1 d D U . . .
H4 H 0.2126 1.0797 0.4633 0.100 Uiso 1 1 calc R U . . .
C5 C 0.1931(9) 0.9510(11) 0.4385(10) 0.079(5) Uani 1 1 d D U . . .
C6 C 0.2210(7) 0.9013(13) 0.4925(10) 0.057(5) Uani 1 1 d . . . . .
C7 C 0.2886(9) 0.9445(14) 0.6319(10) 0.079(5) Uani 1 1 d . U . . .
H7 H 0.2892 1.0097 0.6342 0.095 Uiso 1 1 calc R U . . .
C8 C 0.3144(9) 0.8884(14) 0.6806(10) 0.076(5) Uani 1 1 d . U . . .
H8 H 0.3355 0.9154 0.7160 0.091 Uiso 1 1 calc R U . . .
C9 C 0.3395(7) 0.6665(11) 0.7127(7) 0.038(4) Uani 1 1 d . . . . .
C10 C 0.3742(6) 0.6039(9) 0.7606(5) 0.037(4) Uani 1 1 d D . . . .
C11 C 0.4039(7) 0.6346(12) 0.8130(5) 0.051(5) Uani 1 1 d D . . . .
H11 H 0.4039 0.6985 0.8205 0.061 Uiso 1 1 calc R U . . .
C13 C 0.4338(7) 0.4883(11) 0.8412(6) 0.049(5) Uani 1 1 d D . . . .
H13 H 0.4542 0.4447 0.8691 0.059 Uiso 1 1 calc R U . . .
C14 C 0.4054(7) 0.4606(11) 0.7880(5) 0.048(4) Uani 1 1 d D . . . .
H14 H 0.4066 0.3970 0.7804 0.057 Uiso 1 1 calc R U . . .
C15 C 0.0076(6) 0.7468(16) 0.3401(10) 0.081(7) Uani 1 1 d D . . . .
H15 H 0.0111 0.8037 0.3589 0.097 Uiso 1 1 calc R U . . .
C16 C -0.0458(7) 0.7221(13) 0.3025(8) 0.076(7) Uani 1 1 d D . . . .
H16 H -0.0782 0.7623 0.2959 0.091 Uiso 1 1 calc R U . . .
C18 C -0.0065(6) 0.5911(16) 0.2860(8) 0.072(4) Uani 1 1 d D U . . .
H18 H -0.0098 0.5350 0.2664 0.087 Uiso 1 1 calc R U . . .
C19 C 0.0465(7) 0.6150(13) 0.3245(7) 0.064(4) Uani 1 1 d D U . . .
C20 C 0.0999(7) 0.5565(14) 0.3411(8) 0.051(5) Uani 1 1 d . . . . .
C21 C 0.1475(9) 0.3576(18) 0.3098(9) 0.080(4) Uani 1 1 d . U . . .
H21 H 0.1127 0.3349 0.2811 0.096 Uiso 1 1 calc R U . . .
C22 C 0.2007(9) 0.3046(18) 0.3298(9) 0.077(4) Uani 1 1 d . U . . .
H22 H 0.2015 0.2425 0.3189 0.093 Uiso 1 1 calc R U . . .
C23 C 0.3373(8) 0.3251(12) 0.4297(7) 0.043(4) Uani 1 1 d . . . . .
C24 C 0.3928(7) 0.2734(10) 0.4550(5) 0.044(4) Uani 1 1 d D . . . .
C25 C 0.4114(6) 0.2068(10) 0.4297(7) 0.048(4) Uani 1 1 d D . . . .
H25 H 0.3894 0.1963 0.3912 0.058 Uiso 1 1 calc R U . . .
C27 C 0.4895(7) 0.1735(10) 0.5099(6) 0.047(4) Uani 1 1 d D . . . .
H27 H 0.5226 0.1371 0.5313 0.057 Uiso 1 1 calc R U . . .
C28 C 0.4729(6) 0.2440(8) 0.5337(6) 0.032(3) Uani 1 1 d D . . . .
H28 H 0.4971 0.2583 0.5712 0.038 Uiso 1 1 calc R U . . .
C29 C 0.3721(7) 0.7291(11) 0.4813(8) 0.041(3) Uani 1 1 d . U . . .
H29A H 0.4109 0.7153 0.5112 0.049 Uiso 1 1 calc R U . . .
H29B H 0.3738 0.7102 0.4455 0.049 Uiso 1 1 calc R U . . .
C30 C 0.3616(7) 0.8321(11) 0.4799(6) 0.054(3) Uani 1 1 d D U . . .
C31 C 0.3325(7) 0.8744(10) 0.4280(7) 0.062(3) Uani 1 1 d D U . . .
C32 C 0.3082(7) 0.8255(14) 0.3779(7) 0.065(4) Uani 1 1 d D U . . .
H32 H 0.3112 0.7605 0.3796 0.077 Uiso 1 1 calc R U . . .
C33 C 0.2798(9) 0.8660(12) 0.3254(8) 0.076(4) Uani 1 1 d D U . . .
H33 H 0.2632 0.8300 0.2926 0.091 Uiso 1 1 calc R U . . .
C34 C 0.2770(9) 0.9620(12) 0.3237(10) 0.078(4) Uani 1 1 d D U . . .
H34 H 0.2597 0.9921 0.2887 0.094 Uiso 1 1 calc R U . . .
C35 C 0.2990(9) 1.0145(15) 0.3724(7) 0.080(4) Uani 1 1 d D U . . .
H35 H 0.2955 1.0795 0.3707 0.096 Uiso 1 1 calc R U . . .
C36 C 0.3263(8) 0.9702(10) 0.4239(7) 0.071(3) Uani 1 1 d D U . . .
C37 C 0.3461(8) 1.0228(14) 0.4728(7) 0.076(4) Uani 1 1 d D U . . .
H37 H 0.3405 1.0874 0.4705 0.091 Uiso 1 1 calc R U . . .
C38 C 0.3742(8) 0.9812(10) 0.5249(7) 0.074(4) Uani 1 1 d D U . . .
C39 C 0.3945(10) 1.0322(15) 0.5744(8) 0.087(5) Uani 1 1 d D U . . .
H39 H 0.3912 1.0971 0.5713 0.104 Uiso 1 1 calc R U . . .
C40 C 0.4192(10) 0.9949(12) 0.6279(10) 0.093(5) Uani 1 1 d D U . . .
H40 H 0.4284 1.0309 0.6606 0.112 Uiso 1 1 calc R U . . .
C41 C 0.4295(10) 0.9001(12) 0.6296(10) 0.087(5) Uani 1 1 d D U . . .
H41 H 0.4492 0.8713 0.6647 0.104 Uiso 1 1 calc R U . . .
C42 C 0.4116(8) 0.8462(14) 0.5814(7) 0.072(4) Uani 1 1 d D U . . .
H42 H 0.4190 0.7820 0.5845 0.087 Uiso 1 1 calc R U . . .
C43 C 0.3829(8) 0.8857(9) 0.5285(7) 0.063(3) Uani 1 1 d D U . . .
C44 C 0.1319(7) 0.4850(12) 0.5215(7) 0.042(3) Uani 1 1 d . U . . .
H44A H 0.1422 0.4200 0.5318 0.051 Uiso 1 1 calc R U . . .
H44B H 0.1247 0.5144 0.5524 0.051 Uiso 1 1 calc R U . . .
C45 C 0.0758(7) 0.4875(11) 0.4707(7) 0.055(3) Uani 1 1 d D U . . .
C46 C 0.0614(8) 0.4170(13) 0.4315(7) 0.074(4) Uani 1 1 d D U . . .
C47 C 0.1008(10) 0.3461(14) 0.4350(10) 0.084(4) Uani 1 1 d D U . . .
H47 H 0.1386 0.3458 0.4646 0.101 Uiso 1 1 calc R U . . .
C48 C 0.0855(10) 0.2756(17) 0.3958(9) 0.099(5) Uani 1 1 d D U . . .
H48 H 0.1119 0.2265 0.3986 0.118 Uiso 1 1 calc R U . . .
C49 C 0.0301(10) 0.2795(19) 0.3524(11) 0.108(5) Uani 1 1 d D U . . .
H49 H 0.0206 0.2331 0.3247 0.129 Uiso 1 1 calc R U . . .
C50 C -0.0123(12) 0.3463(16) 0.3465(11) 0.106(5) Uani 1 1 d D U . . .
H50 H -0.0505 0.3455 0.3173 0.127 Uiso 1 1 calc R U . . .
C51 C 0.0061(8) 0.4143(14) 0.3873(8) 0.087(4) Uani 1 1 d D U . . .
C52 C -0.0342(10) 0.4846(13) 0.3822(10) 0.087(4) Uani 1 1 d D U . . .
H52 H -0.0717 0.4831 0.3521 0.105 Uiso 1 1 calc R U . . .
C53 C -0.0207(7) 0.5568(14) 0.4200(7) 0.078(4) Uani 1 1 d D U . . .
C54 C -0.0627(9) 0.6251(14) 0.4127(10) 0.085(4) Uani 1 1 d D U . . .
H54 H -0.0997 0.6228 0.3820 0.102 Uiso 1 1 calc R U . . .
C55 C -0.0499(8) 0.6967(17) 0.4508(8) 0.087(4) Uani 1 1 d D U . . .
H55 H -0.0776 0.7447 0.4458 0.104 Uiso 1 1 calc R U . . .
C56 C 0.0039(7) 0.6976(15) 0.4965(9) 0.080(4) Uani 1 1 d D U . . .
H56 H 0.0121 0.7438 0.5242 0.096 Uiso 1 1 calc R U . . .
C57 C 0.0458(8) 0.6301(12) 0.5012(8) 0.067(4) Uani 1 1 d D U . . .
H57 H 0.0832 0.6336 0.5313 0.081 Uiso 1 1 calc R U . . .
C58 C 0.0349(6) 0.5577(12) 0.4635(7) 0.064(3) Uani 1 1 d D U . . .
C61 C 0.1852(10) 0.673(2) 0.3045(9) 0.081(4) Uani 1 1 d . U . . .
C62 C 0.1705(12) 0.693(2) 0.2438(9) 0.106(7) Uani 1 1 d . U . . .
H62A H 0.2026 0.6714 0.2336 0.159 Uiso 1 1 calc R U . . .
H62B H 0.1655 0.7594 0.2375 0.159 Uiso 1 1 calc R U . . .
H62C H 0.1338 0.6616 0.2209 0.159 Uiso 1 1 calc R U . . .
C63 C 0.4295(6) 0.5908(9) 0.6236(6) 0.028(3) Uani 1 1 d . . . . .
C64 C 0.4541(7) 0.6523(13) 0.6740(7) 0.046(4) Uani 1 1 d . . . . .
H64A H 0.4888 0.6848 0.6737 0.069 Uiso 1 1 calc R U . . .
H64B H 0.4654 0.6151 0.7079 0.069 Uiso 1 1 calc R U . . .
H64C H 0.4240 0.6970 0.6732 0.069 Uiso 1 1 calc R U . . .
C65 C 0.2801(7) 0.3353(11) 0.5562(6) 0.034(3) Uani 1 1 d . . . . .
C66 C 0.2649(9) 0.2581(12) 0.5155(8) 0.054(5) Uani 1 1 d . . . . .
H66A H 0.2489 0.2827 0.4775 0.081 Uiso 1 1 calc R U . . .
H66B H 0.2354 0.2186 0.5210 0.081 Uiso 1 1 calc R U . . .
H66C H 0.3005 0.2221 0.5213 0.081 Uiso 1 1 calc R U . . .
C67 C 0.4328(8) 0.3357(11) 0.6620(7) 0.041(3) Uani 1 1 d . U . . .
C68 C 0.4743(9) 0.2653(14) 0.6992(8) 0.062(5) Uani 1 1 d . U . . .
H68A H 0.4675 0.2060 0.6800 0.093 Uiso 1 1 calc R U . . .
H68B H 0.4672 0.2593 0.7335 0.093 Uiso 1 1 calc R U . . .
H68C H 0.5151 0.2847 0.7084 0.093 Uiso 1 1 calc R U . . .
C69 C 0.2447(8) 0.4086(14) 0.6997(7) 0.047(4) Uani 1 1 d . . . . .
C70 C 0.2016(9) 0.3662(17) 0.7229(8) 0.070(7) Uani 1 1 d . . . . .
H70A H 0.1724 0.4123 0.7223 0.105 Uiso 1 1 calc R U . . .
H70B H 0.2235 0.3457 0.7613 0.105 Uiso 1 1 calc R U . . .
H70C H 0.1815 0.3136 0.6998 0.105 Uiso 1 1 calc R U . . .
C71 C 0.5238(6) 0.4849(9) 0.5288(6) 0.026(3) Uani 1 1 d . . . . .
C77 C 0.1397(9) 0.8461(15) 0.5924(7) 0.101(4) Uani 1 1 d D U . . .
C78 C 0.0915(12) 0.9157(19) 0.5700(10) 0.114(5) Uani 1 1 d D U . . .
H78A H 0.1076 0.9771 0.5825 0.171 Uiso 1 1 calc R U . . .
H78B H 0.0606 0.9021 0.5837 0.171 Uiso 1 1 calc R U . . .
H78C H 0.0749 0.9135 0.5293 0.171 Uiso 1 1 calc R U . . .
N1 N 0.1684(7) 0.8941(12) 0.3950(7) 0.078(4) Uani 1 1 d D U . . .
N2 N 0.2403(7) 0.9548(11) 0.5366(9) 0.072(4) Uani 1 1 d . U . . .
N3 N 0.2644(7) 0.9024(10) 0.5848(8) 0.070(4) Uani 1 1 d . U . . .
N4 N 0.3087(7) 0.8040(11) 0.6757(8) 0.065(4) Uani 1 1 d . U . . .
N5 N 0.3379(7) 0.7508(11) 0.7245(7) 0.061(5) Uani 1 1 d . . . . .
N6 N 0.3754(5) 0.5161(8) 0.7451(5) 0.039(3) Uani 1 1 d D . . . .
N7 N 0.0560(6) 0.6948(11) 0.3523(7) 0.065(4) Uani 1 1 d D U . . .
N8 N 0.0956(7) 0.4837(15) 0.3112(7) 0.072(4) Uani 1 1 d . U . . .
N9 N 0.1483(7) 0.4375(14) 0.3320(7) 0.072(4) Uani 1 1 d . U . . .
N10 N 0.2484(7) 0.3465(13) 0.3639(6) 0.065(4) Uani 1 1 d . U . . .
N11 N 0.2988(6) 0.2934(12) 0.3816(6) 0.061(4) Uani 1 1 d . U . . .
N12 N 0.4247(5) 0.2958(8) 0.5084(4) 0.034(3) Uani 1 1 d D . . . .
N13 N 0.1708(8) 1.0834(13) 0.3814(8) 0.088(5) Uani 1 1 d D U . . .
N14 N 0.4335(6) 0.5772(10) 0.8549(6) 0.054(4) Uani 1 1 d D . . . .
N15 N -0.0551(7) 0.6429(13) 0.2740(7) 0.077(4) Uani 1 1 d D U . . .
N16 N 0.4591(6) 0.1546(10) 0.4558(5) 0.052(4) Uani 1 1 d D . . . .
O1 O 0.2218(5) 0.8159(8) 0.4938(6) 0.051(3) Uani 1 1 d . . . . .
O2 O 0.3149(4) 0.6307(8) 0.6637(4) 0.040(3) Uani 1 1 d . . . . .
O3 O 0.1462(5) 0.5800(9) 0.3853(5) 0.048(3) Uani 1 1 d . . . . .
O4 O 0.3270(4) 0.3939(7) 0.4548(4) 0.028(2) Uani 1 1 d . . . . .
O5 O 0.2563(4) 0.6686(7) 0.4398(4) 0.037(3) Uani 1 1 d . . . . .
O6 O 0.3135(4) 0.6930(7) 0.5466(4) 0.032(2) Uani 1 1 d . . . . .
O7 O 0.3311(4) 0.5601(7) 0.4931(4) 0.032(2) Uani 1 1 d . . . . .
O8 O 0.1787(4) 0.6422(7) 0.4978(4) 0.036(2) Uani 1 1 d . . . . .
O9 O 0.2453(4) 0.5489(7) 0.5738(4) 0.033(2) Uani 1 1 d . . . . .
O10 O 0.2149(5) 0.4840(7) 0.4751(4) 0.035(2) Uani 1 1 d . . . . .
O11 O 0.1675(6) 0.7303(12) 0.3316(6) 0.077(4) Uani 1 1 d . U . . .
O12 O 0.2152(6) 0.6016(12) 0.3238(5) 0.073(4) Uani 1 1 d . U . . .
O14 O 0.1584(7) 0.8008(11) 0.5630(7) 0.086(3) Uani 1 1 d D U . . .
O15 O 0.2912(6) 0.3626(9) 0.7063(5) 0.053(3) Uani 1 1 d . . . . .
O16 O 0.2327(5) 0.4811(10) 0.6744(5) 0.055(3) Uani 1 1 d . . . . .
O17 O 0.2520(5) 0.3456(8) 0.5877(5) 0.042(3) Uani 1 1 d . . . . .
O18 O 0.3210(4) 0.3905(7) 0.5618(4) 0.033(2) Uani 1 1 d . . . . .
O19 O 0.3903(4) 0.5340(6) 0.6218(4) 0.029(2) Uani 1 1 d . . . . .
O20 O 0.4499(5) 0.5934(7) 0.5869(4) 0.036(2) Uani 1 1 d . . . . .
O21 O 0.3914(5) 0.3612(8) 0.6750(4) 0.043(2) Uani 1 1 d . U . . .
O22 O 0.4441(5) 0.3628(7) 0.6215(4) 0.037(2) Uani 1 1 d . U . . .
O24 O 0.5049(4) 0.4468(7) 0.5617(4) 0.030(2) Uani 1 1 d . . . . .
O25 O 0.5749(4) 0.4986(8) 0.5350(4) 0.036(2) Uani 1 1 d . . . . .
O26 O 0.1679(10) 0.8336(16) 0.6428(9) 0.140(5) Uani 1 1 d D U . . .
O1W O 0.1940(6) 0.6568(10) 0.6358(6) 0.065(4) Uani 1 1 d . . . . .
H1WB H 0.1624 0.6869 0.6294 0.098 Uiso 1 1 d R U . . .
H1WA H 0.1854 0.6012 0.6260 0.098 Uiso 1 1 d R U . . .
O2W O 0.3238(5) 0.5348(9) 0.3792(4) 0.051(3) Uani 1 1 d . . . . .
H2WA H 0.3392 0.4834 0.3774 0.077 Uiso 1 1 d R U . . .
H2WB H 0.3113 0.5605 0.3474 0.077 Uiso 1 1 d R U . . .
O3W O 0.0993(5) 0.8069(10) 0.4522(7) 0.078(5) Uani 1 1 d . U . . .
H3WB H 0.0893 0.7715 0.4729 0.117 Uiso 1 1 d R U . . .
H3WA H 0.1175 0.8531 0.4709 0.117 Uiso 1 1 d R U . . .
O4W O 0.2446(10) 0.4830(18) 0.2449(8) 0.049(6) Uani 0.5 1 d . . P A 1
O5W O 0.1441(16) 0.3745(18) 0.1816(15) 0.086(11) Uani 0.5 1 d . . P B 1
O6W O 0.0514(13) 0.466(2) 0.1854(10) 0.065(8) Uani 0.5 1 d . . P C 1
O7W O 0.3211(14) 0.179(2) 0.6622(13) 0.079(9) Uani 0.5 1 d . U P D 1
O8W O 0.2011(10) 0.1988(15) 0.6197(10) 0.042(5) Uani 0.5 1 d . U P E 1
O9W O 0.1569(15) 0.099(2) 0.5303(15) 0.087(10) Uani 0.5 1 d . U P F 1
O10W O 0.0489(17) 0.981(3) 0.4103(16) 0.104(12) Uani 0.5 1 d . U P G 1
O11W O 0.3598(15) 0.097(2) 0.7640(14) 0.086(10) Uani 0.5 1 d . U P H 1
O12W O 0.3417(11) 0.2482(19) 0.7944(10) 0.056(6) Uani 0.5 1 d . U P I 1
O13W O 0.5586(10) 0.4729(16) 0.6857(9) 0.046(6) Uani 0.5 1 d . U P J 1
O14W O 0.3650(8) 0.6461(12) 0.3256(8) 0.100(6) Uani 1 1 d . U . . .
H14A H 0.3558 0.6790 0.2965 0.150 Uiso 1 1 d R U . . .
H14B H 0.4022 0.6481 0.3437 0.150 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
O3 Dy1 O5 76.1(4) . .
O3 Dy1 O8 77.3(4) . .
O5 Dy1 O8 77.8(3) . .
O3 Dy1 O1 143.7(4) . .
O5 Dy1 O1 77.0(4) . .
O8 Dy1 O1 73.6(4) . .
O3 Dy1 O11 73.3(5) . .
O5 Dy1 O11 79.5(4) . .
O8 Dy1 O11 146.3(5) . .
O1 Dy1 O11 124.6(5) . .
O3 Dy1 O3W 123.1(5) . .
O5 Dy1 O3W 146.8(5) . .
O8 Dy1 O3W 80.7(4) . .
O1 Dy1 O3W 72.8(5) . .
O11 Dy1 O3W 129.6(5) . .
O3 Dy1 N1 145.5(5) . .
O5 Dy1 N1 106.0(4) . .
O8 Dy1 N1 137.2(5) . .
O1 Dy1 N1 66.3(5) . .
O11 Dy1 N1 73.3(6) . .
O3W Dy1 N1 74.0(5) . .
O3 Dy1 N7 65.3(4) . .
O5 Dy1 N7 138.9(5) . .
O8 Dy1 N7 105.7(4) . .
O1 Dy1 N7 143.9(5) . .
O11 Dy1 N7 76.4(5) . .
O3W Dy1 N7 71.5(5) . .
N1 Dy1 N7 98.4(5) . .
O6 Dy2 O14 141.5(5) . .
O6 Dy2 O1W 143.8(4) . .
O14 Dy2 O1W 70.2(5) . .
O6 Dy2 O8 83.5(3) . .
O14 Dy2 O8 78.1(5) . .
O1W Dy2 O8 90.2(4) . .
O6 Dy2 O2 83.5(4) . .
O14 Dy2 O2 135.0(5) . .
O1W Dy2 O2 68.9(4) . .
O8 Dy2 O2 119.8(3) . .
O6 Dy2 O9 75.8(3) . .
O14 Dy2 O9 119.7(5) . .
O1W Dy2 O9 70.7(4) . .
O8 Dy2 O9 58.1(3) . .
O2 Dy2 O9 61.7(3) . .
O6 Dy2 O1 71.0(4) . .
O14 Dy2 O1 70.7(5) . .
O1W Dy2 O1 137.8(4) . .
O8 Dy2 O1 66.7(4) . .
O2 Dy2 O1 153.1(4) . .
O9 Dy2 O1 117.5(4) . .
O6 Dy2 N4 102.4(5) . .
O14 Dy2 N4 98.0(5) . .
O1W Dy2 N4 84.0(5) . .
O8 Dy2 N4 173.8(5) . .
O2 Dy2 N4 59.8(4) . .
O9 Dy2 N4 121.3(4) . .
O1 Dy2 N4 116.7(5) . .
O6 Dy2 N3 93.1(5) . .
O14 Dy2 N3 69.7(6) . .
O1W Dy2 N3 119.8(6) . .
O8 Dy2 N3 122.3(5) . .
O2 Dy2 N3 116.9(4) . .
O9 Dy2 N3 168.8(5) . .
O1 Dy2 N3 58.1(5) . .
N4 Dy2 N3 59.7(6) . .
O9 Dy3 O21 151.0(3) . .
O9 Dy3 O19 91.2(3) . .
O21 Dy3 O19 75.9(4) . .
O9 Dy3 O2 67.0(4) . .
O21 Dy3 O2 130.9(4) . .
O19 Dy3 O2 74.3(3) . .
O9 Dy3 O17 77.8(4) . .
O21 Dy3 O17 87.1(4) . .
O19 Dy3 O17 121.9(3) . .
O2 Dy3 O17 142.0(4) . .
O9 Dy3 O16 76.2(4) . .
O21 Dy3 O16 125.8(4) . .
O19 Dy3 O16 152.0(4) . .
O2 Dy3 O16 77.7(4) . .
O17 Dy3 O16 80.2(4) . .
O9 Dy3 O18 79.8(3) . .
O21 Dy3 O18 71.5(4) . .
O19 Dy3 O18 70.1(3) . .
O2 Dy3 O18 130.1(3) . .
O17 Dy3 O18 51.9(3) . .
O16 Dy3 O18 129.9(4) . .
O9 Dy3 O15 122.8(4) . .
O21 Dy3 O15 73.5(4) . .
O19 Dy3 O15 146.0(4) . .
O2 Dy3 O15 116.5(4) . .
O17 Dy3 O15 70.9(4) . .
O16 Dy3 O15 52.5(4) . .
O18 Dy3 O15 112.7(4) . .
O9 Dy3 N6 129.9(3) . .
O21 Dy3 N6 76.1(4) . .
O19 Dy3 N6 87.4(4) . .
O2 Dy3 N6 64.4(4) . .
O17 Dy3 N6 141.7(4) . .
O16 Dy3 N6 82.2(4) . .
O18 Dy3 N6 144.0(4) . .
O15 Dy3 N6 71.3(4) . .
O7 Dy4 O22 149.4(3) . .
O7 Dy4 O18 84.1(3) . .
O22 Dy4 O18 74.5(4) . .
O7 Dy4 O4 67.3(3) . .
O22 Dy4 O4 124.4(4) . .
O18 Dy4 O4 73.4(3) . .
O7 Dy4 O25 73.3(3) . 3_666
O22 Dy4 O25 135.8(3) . 3_666
O18 Dy4 O25 142.8(3) . 3_666
O4 Dy4 O25 70.8(3) . 3_666
O7 Dy4 O24 128.8(3) . .
O22 Dy4 O24 72.5(3) . .
O18 Dy4 O24 146.3(3) . .
O4 Dy4 O24 121.9(3) . .
O25 Dy4 O24 65.8(3) 3_666 .
O7 Dy4 O20 78.9(3) . .
O22 Dy4 O20 93.2(4) . .
O18 Dy4 O20 120.5(3) . .
O4 Dy4 O20 142.3(3) . .
O25 Dy4 O20 84.2(3) 3_666 .
O24 Dy4 O20 67.8(3) . .
O7 Dy4 O19 80.9(3) . .
O22 Dy4 O19 71.3(3) . .
O18 Dy4 O19 69.2(3) . .
O4 Dy4 O19 132.7(3) . .
O25 Dy4 O19 132.8(3) 3_666 .
O24 Dy4 O19 105.3(3) . .
O20 Dy4 O19 52.1(3) . .
O7 Dy4 N12 130.2(3) . .
O22 Dy4 N12 73.9(3) . .
O18 Dy4 N12 94.1(4) . .
O4 Dy4 N12 64.6(3) . .
O25 Dy4 N12 79.4(4) 3_666 .
O24 Dy4 N12 70.9(3) . .
O20 Dy4 N12 138.8(3) . .
O19 Dy4 N12 144.3(3) . .
O10 Dy5 O2W 147.5(4) . .
O10 Dy5 O12 138.3(4) . .
O2W Dy5 O12 68.9(4) . .
O10 Dy5 O5 84.5(3) . .
O2W Dy5 O5 88.2(4) . .
O12 Dy5 O5 75.5(5) . .
O10 Dy5 O3 69.4(4) . .
O2W Dy5 O3 136.6(4) . .
O12 Dy5 O3 69.4(4) . .
O5 Dy5 O3 70.3(4) . .
O10 Dy5 O7 75.7(3) . .
O2W Dy5 O7 73.6(3) . .
O12 Dy5 O7 120.0(4) . .
O5 Dy5 O7 58.0(3) . .
O3 Dy5 O7 119.2(4) . .
O10 Dy5 O4 86.1(3) . .
O2W Dy5 O4 70.0(4) . .
O12 Dy5 O4 135.6(4) . .
O5 Dy5 O4 119.1(3) . .
O3 Dy5 O4 153.4(3) . .
O7 Dy5 O4 61.4(3) . .
O10 Dy5 N9 92.3(5) . .
O2W Dy5 N9 117.1(5) . .
O12 Dy5 N9 72.1(6) . .
O5 Dy5 N9 126.3(5) . .
O3 Dy5 N9 58.8(5) . .
O7 Dy5 N9 167.1(5) . .
O4 Dy5 N9 114.1(5) . .
O10 Dy5 N10 104.9(5) . .
O2W Dy5 N10 80.9(5) . .
O12 Dy5 N10 100.0(6) . .
O5 Dy5 N10 169.1(4) . .
O3 Dy5 N10 117.9(4) . .
O7 Dy5 N10 118.4(4) . .
O4 Dy5 N10 57.3(4) . .
N9 Dy5 N10 59.8(5) . .
O6 P1 O7 113.0(6) . .
O6 P1 O5 115.9(6) . .
O7 P1 O5 102.0(6) . .
O6 P1 C29 107.6(7) . .
O7 P1 C29 109.0(7) . .
O5 P1 C29 109.1(7) . .
O9 P2 O10 112.2(6) . .
O9 P2 O8 103.9(6) . .
O10 P2 O8 115.7(6) . .
O9 P2 C44 108.4(7) . .
O10 P2 C44 108.5(7) . .
O8 P2 C44 107.7(7) . .
C2 C1 N1 122(2) . .
C2 C1 H1 119.0 . .
N1 C1 H1 119.0 . .
N13 C2 C1 123(2) . .
N13 C2 H2 118.6 . .
C1 C2 H2 118.6 . .
N13 C4 C5 123(2) . .
N13 C4 H4 118.3 . .
C5 C4 H4 118.3 . .
N1 C5 C4 121(2) . .
N1 C5 C6 112.8(15) . .
C4 C5 C6 125.8(19) . .
O1 C6 N2 125(2) . .
O1 C6 C5 121(2) . .
N2 C6 C5 114.5(16) . .
N3 C7 C8 116.9(18) . .
N3 C7 H7 121.6 . .
C8 C7 H7 121.6 . .
N4 C8 C7 119(2) . .
N4 C8 H8 120.6 . .
C7 C8 H8 120.6 . .
N5 C9 O2 125.7(17) . .
N5 C9 C10 116.3(14) . .
O2 C9 C10 118.0(13) . .
N6 C10 C11 123.6(14) . .
N6 C10 C9 113.4(11) . .
C11 C10 C9 123.0(12) . .
N14 C11 C10 121.6(15) . .
N14 C11 H11 119.2 . .
C10 C11 H11 119.2 . .
N14 C13 C14 120.6(15) . .
N14 C13 H13 119.7 . .
C14 C13 H13 119.7 . .
N6 C14 C13 124.9(15) . .
N6 C14 H14 117.6 . .
C13 C14 H14 117.6 . .
N7 C15 C16 123.1(19) . .
N7 C15 H15 118.5 . .
C16 C15 H15 118.5 . .
N15 C16 C15 122.7(19) . .
N15 C16 H16 118.6 . .
C15 C16 H16 118.6 . .
N15 C18 C19 122.9(19) . .
N15 C18 H18 118.5 . .
C19 C18 H18 118.5 . .
N7 C19 C18 122.8(18) . .
N7 C19 C20 113.1(14) . .
C18 C19 C20 124.1(17) . .
N8 C20 O3 125.7(16) . .
N8 C20 C19 116.0(16) . .
O3 C20 C19 118.3(18) . .
N9 C21 C22 118.0(18) . .
N9 C21 H21 121.0 . .
C22 C21 H21 121.0 . .
N10 C22 C21 116(2) . .
N10 C22 H22 121.8 . .
C21 C22 H22 121.8 . .
O4 C23 N11 123.2(17) . .
O4 C23 C24 120.4(14) . .
N11 C23 C24 116.2(14) . .
N12 C24 C25 120.6(14) . .
N12 C24 C23 113.8(11) . .
C25 C24 C23 125.5(12) . .
N16 C25 C24 123.9(14) . .
N16 C25 H25 118.1 . .
C24 C25 H25 118.1 . .
N16 C27 C28 119.8(14) . .
N16 C27 H27 120.1 . .
C28 C27 H27 120.1 . .
N12 C28 C27 124.9(13) . .
N12 C28 H28 117.5 . .
C27 C28 H28 117.5 . .
C30 C29 P1 113.9(11) . .
C30 C29 H29A 108.8 . .
P1 C29 H29A 108.8 . .
C30 C29 H29B 108.8 . .
P1 C29 H29B 108.8 . .
H29A C29 H29B 107.7 . .
C31 C30 C43 119.8(15) . .
C31 C30 C29 118.3(14) . .
C43 C30 C29 121.9(13) . .
C32 C31 C30 123.3(14) . .
C32 C31 C36 116.0(15) . .
C30 C31 C36 120.6(15) . .
C33 C32 C31 124.5(18) . .
C33 C32 H32 117.8 . .
C31 C32 H32 117.8 . .
C34 C33 C32 117(2) . .
C34 C33 H33 121.6 . .
C32 C33 H33 121.6 . .
C35 C34 C33 121(2) . .
C35 C34 H34 119.3 . .
C33 C34 H34 119.3 . .
C34 C35 C36 119(2) . .
C34 C35 H35 120.4 . .
C36 C35 H35 120.4 . .
C37 C36 C35 119.1(16) . .
C37 C36 C31 119.0(16) . .
C35 C36 C31 121.9(17) . .
C38 C37 C36 120.8(18) . .
C38 C37 H37 119.6 . .
C36 C37 H37 119.6 . .
C37 C38 C39 121.9(16) . .
C37 C38 C43 119.9(17) . .
C39 C38 C43 118.2(17) . .
C40 C39 C38 125(2) . .
C40 C39 H39 117.5 . .
C38 C39 H39 117.5 . .
C39 C40 C41 115(2) . .
C39 C40 H40 122.7 . .
C41 C40 H40 122.7 . .
C42 C41 C40 122(2) . .
C42 C41 H41 118.9 . .
C40 C41 H41 118.9 . .
C41 C42 C43 121.0(19) . .
C41 C42 H42 119.5 . .
C43 C42 H42 119.5 . .
C30 C43 C42 121.7(14) . .
C30 C43 C38 119.8(15) . .
C42 C43 C38 118.4(16) . .
C45 C44 P2 116.0(11) . .
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 . .
C46 C45 C58 118.5(16) . .
C46 C45 C44 121.0(15) . .
C58 C45 C44 120.4(14) . .
C45 C46 C47 121.7(15) . .
C45 C46 C51 120.8(17) . .
C47 C46 C51 117.6(17) . .
C48 C47 C46 121(2) . .
C48 C47 H47 119.5 . .
C46 C47 H47 119.5 . .
C49 C48 C47 118(2) . .
C49 C48 H48 121.1 . .
C47 C48 H48 121.1 . .
C50 C49 C48 125(3) . .
C50 C49 H49 117.5 . .
C48 C49 H49 117.5 . .
C49 C50 C51 114(2) . .
C49 C50 H50 123.0 . .
C51 C50 H50 123.0 . .
C50 C51 C52 116.2(18) . .
C50 C51 C46 125(2) . .
C52 C51 C46 119.0(19) . .
C53 C52 C51 122(2) . .
C53 C52 H52 119.2 . .
C51 C52 H52 119.2 . .
C52 C53 C54 118.9(17) . .
C52 C53 C58 118.0(18) . .
C54 C53 C58 123.0(18) . .
C55 C54 C53 119(2) . .
C55 C54 H54 120.4 . .
C53 C54 H54 120.4 . .
C54 C55 C56 120(2) . .
C54 C55 H55 120.2 . .
C56 C55 H55 120.2 . .
C57 C56 C55 119(2) . .
C57 C56 H56 120.3 . .
C55 C56 H56 120.3 . .
C56 C57 C58 122.7(19) . .
C56 C57 H57 118.7 . .
C58 C57 H57 118.7 . .
C57 C58 C45 122.0(14) . .
C57 C58 C53 115.9(16) . .
C45 C58 C53 122.0(16) . .
O12 C61 O11 126(2) . .
O12 C61 C62 117(3) . .
O11 C61 C62 117(2) . .
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 . .
O20 C63 O19 121.7(12) . .
O20 C63 C64 120.5(13) . .
O19 C63 C64 117.6(13) . .
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 117.6(15) . .
O18 C65 C66 122.4(13) . .
O17 C65 C66 120.0(14) . .
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 . .
O21 C67 O22 127.3(15) . .
O21 C67 C68 116.5(14) . .
O22 C67 C68 116.2(15) . .
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 122.8(16) . .
O16 C69 C70 120.1(19) . .
O15 C69 C70 117.0(18) . .
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 128.3(13) . .
O25 C71 C71 115.4(16) . 3_666
O24 C71 C71 116.2(14) . 3_666
O14 C77 O26 113(2) . .
O14 C77 C78 123.6(13) . .
O26 C77 C78 122.9(13) . .
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 . .
C1 N1 C5 115.8(19) . .
C1 N1 Dy1 128.1(14) . .
C5 N1 Dy1 115.7(11) . .
C6 N2 N3 110.3(15) . .
C7 N3 N2 118.3(17) . .
C7 N3 Dy2 120.1(15) . .
N2 N3 Dy2 120.8(12) . .
C8 N4 N5 116.8(18) . .
C8 N4 Dy2 123.5(16) . .
N5 N4 Dy2 119.7(11) . .
C9 N5 N4 111.2(15) . .
C10 N6 C14 113.0(13) . .
C10 N6 Dy3 119.4(8) . .
C14 N6 Dy3 127.3(9) . .
C15 N7 C19 114.2(17) . .
C15 N7 Dy1 129.7(13) . .
C19 N7 Dy1 116.1(10) . .
C20 N8 N9 108.6(15) . .
C21 N9 N8 114.6(16) . .
C21 N9 Dy5 122.9(13) . .
N8 N9 Dy5 122.4(13) . .
C22 N10 N11 114.6(18) . .
C22 N10 Dy5 122.2(14) . .
N11 N10 Dy5 122.6(10) . .
C23 N11 N10 109.9(14) . .
C28 N12 C24 114.7(12) . .
C28 N12 Dy4 127.8(8) . .
C24 N12 Dy4 116.0(8) . .
C4 N13 C2 114(2) . .
C11 N14 C13 116.2(14) . .
C18 N15 C16 114.2(18) . .
C27 N16 C25 115.8(13) . .
C6 O1 Dy1 122.4(13) . .
C6 O1 Dy2 123.8(14) . .
Dy1 O1 Dy2 108.4(4) . .
C9 O2 Dy3 124.6(10) . .
C9 O2 Dy2 121.4(10) . .
Dy3 O2 Dy2 113.2(4) . .
C20 O3 Dy1 123.3(12) . .
C20 O3 Dy5 121.7(11) . .
Dy1 O3 Dy5 106.2(4) . .
C23 O4 Dy4 122.1(10) . .
C23 O4 Dy5 122.9(10) . .
Dy4 O4 Dy5 112.6(4) . .
P1 O5 Dy1 136.7(6) . .
P1 O5 Dy5 101.1(5) . .
Dy1 O5 Dy5 107.4(4) . .
P1 O6 Dy2 139.1(6) . .
P1 O7 Dy4 143.0(6) . .
P1 O7 Dy5 98.9(5) . .
Dy4 O7 Dy5 118.1(4) . .
P2 O8 Dy1 134.7(6) . .
P2 O8 Dy2 100.1(5) . .
Dy1 O8 Dy2 111.1(4) . .
P2 O9 Dy3 144.6(6) . .
P2 O9 Dy2 97.8(5) . .
Dy3 O9 Dy2 117.3(4) . .
P2 O10 Dy5 137.4(6) . .
C61 O11 Dy1 133.3(15) . .
C61 O12 Dy5 138.0(15) . .
C77 O14 Dy2 132.2(15) . .
C69 O15 Dy3 90.9(10) . .
C69 O16 Dy3 93.4(11) . .
C65 O17 Dy3 95.3(9) . .
C65 O18 Dy4 154.6(10) . .
C65 O18 Dy3 94.9(9) . .
Dy4 O18 Dy3 110.3(4) . .
C63 O19 Dy3 157.6(9) . .
C63 O19 Dy4 91.8(8) . .
Dy3 O19 Dy4 110.4(4) . .
C63 O20 Dy4 93.8(8) . .
C67 O21 Dy3 137.1(10) . .
C67 O22 Dy4 138.1(10) . .
C71 O24 Dy4 119.1(8) . .
C71 O25 Dy4 121.8(9) . 3_666
Dy2 O1W H1WB 109.3 . .
Dy2 O1W H1WA 109.1 . .
H1WB O1W H1WA 109.5 . .
Dy5 O2W H2WA 109.1 . .
Dy5 O2W H2WB 109.5 . .
H2WA O2W H2WB 109.5 . .
Dy1 O3W H3WB 109.5 . .
Dy1 O3W H3WA 108.7 . .
H3WB O3W H3WA 109.5 . .
H14A O14W H14B 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O3 2.296(13) .
Dy1 O5 2.300(10) .
Dy1 O8 2.301(10) .
Dy1 O1 2.310(13) .
Dy1 O11 2.323(15) .
Dy1 O3W 2.375(13) .
Dy1 N1 2.523(17) .
Dy1 N7 2.580(15) .
Dy2 O6 2.236(9) .
Dy2 O14 2.320(14) .
Dy2 O1W 2.430(13) .
Dy2 O8 2.477(10) .
Dy2 O2 2.518(11) .
Dy2 O9 2.537(10) .
Dy2 O1 2.543(12) .
Dy2 N4 2.603(17) .
Dy2 N3 2.656(15) .
Dy3 O9 2.280(10) .
Dy3 O21 2.333(11) .
Dy3 O19 2.333(10) .
Dy3 O2 2.410(11) .
Dy3 O17 2.458(11) .
Dy3 O16 2.466(12) .
Dy3 O18 2.479(10) .
Dy3 O15 2.487(12) .
Dy3 N6 2.563(12) .
Dy4 O7 2.292(10) .
Dy4 O22 2.337(10) .
Dy4 O18 2.363(10) .
Dy4 O4 2.410(9) .
Dy4 O25 2.425(10) 3_666
Dy4 O24 2.446(9) .
Dy4 O20 2.470(11) .
Dy4 O19 2.504(9) .
Dy4 N12 2.583(11) .
Dy5 O10 2.219(10) .
Dy5 O2W 2.346(11) .
Dy5 O12 2.386(13) .
Dy5 O5 2.440(11) .
Dy5 O3 2.480(11) .
Dy5 O7 2.536(10) .
Dy5 O4 2.570(10) .
Dy5 N9 2.629(15) .
Dy5 N10 2.649(17) .
P1 O6 1.498(11) .
P1 O7 1.524(11) .
P1 O5 1.580(10) .
P1 C29 1.814(14) .
P2 O9 1.543(10) .
P2 O10 1.546(10) .
P2 O8 1.549(11) .
P2 C44 1.837(14) .
C1 C2 1.343(11) .
C1 N1 1.344(11) .
C1 H1 0.9500 .
C2 N13 1.343(11) .
C2 H2 0.9500 .
C4 N13 1.343(11) .
C4 C5 1.345(11) .
C4 H4 0.9500 .
C5 N1 1.344(11) .
C5 C6 1.49(3) .
C6 O1 1.25(2) .
C6 N2 1.32(3) .
C7 N3 1.29(3) .
C7 C8 1.43(3) .
C7 H7 0.9500 .
C8 N4 1.24(2) .
C8 H8 0.9500 .
C9 N5 1.27(2) .
C9 O2 1.290(18) .
C9 C10 1.51(2) .
C10 N6 1.344(9) .
C10 C11 1.352(9) .
C11 N14 1.343(9) .
C11 H11 0.9500 .
C13 N14 1.344(9) .
C13 C14 1.348(9) .
C13 H13 0.9500 .
C14 N6 1.345(9) .
C14 H14 0.9500 .
C15 N7 1.342(10) .
C15 C16 1.346(10) .
C15 H15 0.9500 .
C16 N15 1.343(10) .
C16 H16 0.9500 .
C18 N15 1.343(10) .
C18 C19 1.346(10) .
C18 H18 0.9500 .
C19 N7 1.342(10) .
C19 C20 1.48(2) .
C20 N8 1.30(3) .
C20 O3 1.31(2) .
C21 N9 1.30(3) .
C21 C22 1.43(3) .
C21 H21 0.9500 .
C22 N10 1.31(2) .
C22 H22 0.9500 .
C23 O4 1.276(18) .
C23 N11 1.32(2) .
C23 C24 1.47(2) .
C24 N12 1.345(9) .
C24 C25 1.348(9) .
C25 N16 1.341(9) .
C25 H25 0.9500 .
C27 N16 1.341(9) .
C27 C28 1.344(9) .
C27 H27 0.9500 .
C28 N12 1.342(9) .
C28 H28 0.9500 .
C29 C30 1.52(2) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 C31 1.403(8) .
C30 C43 1.403(8) .
C31 C32 1.402(8) .
C31 C36 1.405(8) .
C32 C33 1.400(8) .
C32 H32 0.9500 .
C33 C34 1.400(8) .
C33 H33 0.9500 .
C34 C35 1.399(8) .
C34 H34 0.9500 .
C35 C36 1.402(8) .
C35 H35 0.9500 .
C36 C37 1.401(8) .
C37 C38 1.400(8) .
C37 H37 0.9500 .
C38 C39 1.401(8) .
C38 C43 1.405(8) .
C39 C40 1.398(8) .
C39 H39 0.9500 .
C40 C41 1.402(8) .
C40 H40 0.9500 .
C41 C42 1.400(8) .
C41 H41 0.9500 .
C42 C43 1.404(8) .
C42 H42 0.9500 .
C44 C45 1.49(2) .
C44 H44A 0.9900 .
C44 H44B 0.9900 .
C45 C46 1.395(8) .
C45 C58 1.395(8) .
C46 C47 1.395(8) .
C46 C51 1.400(8) .
C47 C48 1.393(8) .
C47 H47 0.9500 .
C48 C49 1.392(8) .
C48 H48 0.9500 .
C49 C50 1.391(8) .
C49 H49 0.9500 .
C50 C51 1.394(8) .
C50 H50 0.9500 .
C51 C52 1.394(8) .
C52 C53 1.392(8) .
C52 H52 0.9500 .
C53 C54 1.392(8) .
C53 C58 1.396(8) .
C54 C55 1.389(8) .
C54 H54 0.9500 .
C55 C56 1.393(8) .
C55 H55 0.9500 .
C56 C57 1.393(8) .
C56 H56 0.9500 .
C57 C58 1.394(8) .
C57 H57 0.9500 .
C61 O12 1.26(3) .
C61 O11 1.28(3) .
C61 C62 1.51(3) .
C62 H62A 0.9800 .
C62 H62B 0.9800 .
C62 H62C 0.9800 .
C63 O20 1.241(17) .
C63 O19 1.258(17) .
C63 C64 1.51(2) .
C64 H64A 0.9800 .
C64 H64B 0.9800 .
C64 H64C 0.9800 .
C65 O18 1.251(17) .
C65 O17 1.273(17) .
C65 C66 1.49(2) .
C66 H66A 0.9800 .
C66 H66B 0.9800 .
C66 H66C 0.9800 .
C67 O21 1.251(19) .
C67 O22 1.254(18) .
C67 C68 1.51(2) .
C68 H68A 0.9800 .
C68 H68B 0.9800 .
C68 H68C 0.9800 .
C69 O16 1.22(2) .
C69 O15 1.28(2) .
C69 C70 1.54(2) .
C70 H70A 0.9800 .
C70 H70B 0.9800 .
C70 H70C 0.9800 .
C71 O25 1.220(16) .
C71 O24 1.254(17) .
C71 C71 1.57(3) 3_666
C77 O14 1.228(17) .
C77 O26 1.238(17) .
C77 C78 1.495(10) .
C78 H78A 0.9800 .
C78 H78B 0.9800 .
C78 H78C 0.9800 .
N2 N3 1.39(2) .
N4 N5 1.42(2) .
N8 N9 1.37(2) .
N10 N11 1.38(2) .
O25 Dy4 2.425(10) 3_666
O1W H1WB 0.8500 .
O1W H1WA 0.8501 .
O2W H2WA 0.8500 .
O2W H2WB 0.8502 .
O3W H3WB 0.8499 .
O3W H3WA 0.8499 .
O14W H14A 0.8501 .
O14W H14B 0.8500 .
