#------------------------------------------------------------------------------
#$Date: 2021-02-05 01:19:07 +0200 (Fri, 05 Feb 2021) $
#$Revision: 261694 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/60/7706032.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_7706032
loop_
_publ_author_name
'Tian, Haiquan'
'Huang, Fu-Ping'
'Li, Yongfei'
'Chen, Peiqiong'
'Chai, Keyu'
'Lu, Jing'
'Liu, Hou-Ting'
'Zeng, Suyuan'
'Li, Dacheng'
'Dou, Jianmin'
_publ_section_title
;
 Ring-forming transformation associated with hydrazone changes of
 hexadecanuclear dysprosium phosphonates.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1119
_journal_page_last               1125
_journal_paper_doi               10.1039/d0dt03536j
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C80 H69 Dy4 N6 O24 P6, 2.5(C H4 O), 3(H2 O)'
_chemical_formula_sum            'C82.5 H85 Dy4 N6 O29.5 P6'
_chemical_formula_weight         2468.42
_space_group_crystal_system      tetragonal
_space_group_IT_number           86
_space_group_name_Hall           '-P 4bc'
_space_group_name_H-M_alt        'P 42/n :2'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-12-11 deposited with the CCDC.	2020-12-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   32.1017(3)
_cell_length_b                   32.1017(3)
_cell_length_c                   19.7408(4)
_cell_measurement_reflns_used    24582
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      29.4170
_cell_measurement_theta_min      2.1840
_cell_volume                     20343.3(5)
_computing_cell_refinement       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_molecular_graphics    'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100.00(10)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0426
_diffrn_reflns_av_unetI/netI     0.0388
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            71873
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.020
_diffrn_reflns_theta_max         25.020
_diffrn_reflns_theta_min         2.504
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    3.064
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.63078
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.612
_exptl_crystal_description       block
_exptl_crystal_F_000             9096
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.120
_refine_diff_density_max         1.711
_refine_diff_density_min         -1.095
_refine_diff_density_rms         0.146
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.876
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1360
_refine_ls_number_reflns         17894
_refine_ls_number_restraints     1761
_refine_ls_restrained_S_all      0.845
_refine_ls_R_factor_all          0.0911
_refine_ls_R_factor_gt           0.0559
_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)+(0.1220P)²+499.6931P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1498
_refine_ls_wR_factor_ref         0.2169
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12693
_reflns_number_total             17894
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt03536j2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7706031--7706032.cif.'
_cod_original_cell_volume        20343.3(6)
_cod_original_sg_symbol_H-M      'P 42/n'
_cod_database_code               7706032
_shelx_shelxl_version_number     2018/3
_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   0.691
_shelx_estimated_absorpt_t_max   0.710
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-y, x+1/2, z+1/2'
'y+1/2, -x, z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'y, -x-1/2, -z-1/2'
'-y-1/2, x, -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 0.52399(2) 0.31417(2) 0.74191(3) 0.04641(17) Uani 1 1 d . . . . .
Dy2 Dy 0.48980(2) 0.42535(2) 0.68855(3) 0.04205(16) Uani 1 1 d . . . . .
Dy3 Dy 0.29198(2) 0.45667(2) 0.81699(3) 0.04084(16) Uani 1 1 d . . . . .
Dy4 Dy 0.36148(2) 0.32265(2) 0.74836(3) 0.03719(15) Uani 1 1 d . . . . .
P1 P 0.58814(11) 0.38450(12) 0.6502(2) 0.0576(9) Uani 1 1 d D U . . .
P2 P 0.45243(9) 0.31731(9) 0.64094(14) 0.0375(6) Uani 1 1 d . . . . .
P3 P 0.23685(10) 0.44133(10) 0.66837(16) 0.0422(7) Uani 1 1 d . . . . .
P4 P 0.27078(9) 0.34492(9) 0.84610(15) 0.0382(6) Uani 1 1 d . . . . .
P5 P 0.28587(12) 0.56592(11) 0.7695(2) 0.0631(10) Uani 1 1 d . U . . .
P6 P 0.39832(10) 0.42473(10) 0.79854(16) 0.0450(7) Uani 1 1 d . U . . .
N1 N 0.5620(3) 0.3313(4) 0.8493(6) 0.066(3) Uani 1 1 d . . . . .
N2 N 0.5982(8) 0.3554(9) 0.9705(12) 0.150(9) Uani 1 1 d . . . . .
N3 N 0.5467(4) 0.4391(4) 0.8319(6) 0.067(3) Uani 1 1 d . . . . .
N4 N 0.5289(4) 0.4627(4) 0.7812(6) 0.060(3) Uani 1 1 d . . . . .
N5 N 0.4263(4) 0.4541(4) 0.4880(6) 0.064(3) Uani 1 1 d . . . . .
N6 N 0.3130(4) 0.4679(4) 1.0431(6) 0.066(3) Uani 1 1 d . . . . .
O1 O 0.4808(3) 0.3532(2) 0.6643(4) 0.0445(19) Uani 1 1 d . . . . .
O2 O 0.4080(2) 0.3228(3) 0.6635(4) 0.0462(19) Uani 1 1 d . . . . .
O3 O 0.2783(3) 0.4429(3) 0.7077(4) 0.049(2) Uani 1 1 d . . . . .
O4 O 0.2110(3) 0.4806(3) 0.6814(4) 0.048(2) Uani 1 1 d . . . . .
O5 O 0.3075(2) 0.3210(2) 0.8178(4) 0.0396(18) Uani 1 1 d . . . . .
O6 O 0.2792(2) 0.3913(2) 0.8463(4) 0.0421(18) Uani 1 1 d . . . . .
O7 O 0.3021(3) 0.4711(3) 0.9301(5) 0.059(2) Uani 1 1 d . . . . .
O8 O 0.2996(3) 0.5236(3) 0.7969(5) 0.062(3) Uani 1 1 d . . . . .
O9 O 0.3124(3) 0.5785(3) 0.7092(7) 0.085(4) Uani 1 1 d . . . . .
O10 O 0.3604(3) 0.4526(3) 0.7908(5) 0.058(2) Uani 1 1 d . . . . .
O11 O 0.3859(3) 0.3803(3) 0.7969(5) 0.061(3) Uani 1 1 d . . . . .
O12 O 0.4315(3) 0.4360(3) 0.7467(4) 0.0452(19) Uani 1 1 d . . . . .
O13 O 0.4767(3) 0.5547(3) 0.5789(6) 0.071(3) Uani 1 1 d . . . . .
O14 O 0.4934(3) 0.4917(3) 0.6581(5) 0.056(2) Uani 1 1 d . . . . .
O15 O 0.5180(3) 0.3833(3) 0.7751(4) 0.050(2) Uani 1 1 d . . . . .
O16 O 0.5751(3) 0.3425(3) 0.6763(5) 0.059(2) Uani 1 1 d . . . . .
O17 O 0.6118(3) 0.3810(3) 0.5814(5) 0.065(3) Uani 1 1 d . . . . .
O18 O 0.5537(3) 0.4149(3) 0.6425(5) 0.052(2) Uani 1 1 d . . . . .
O19 O 0.4550(3) 0.4255(3) 0.5827(4) 0.051(2) Uani 1 1 d . . . . .
O20 O 0.3255(3) 0.3714(2) 0.6758(4) 0.047(2) Uani 1 1 d . . . . .
O21 O 0.4740(2) 0.2784(2) 0.6700(4) 0.0412(18) Uani 1 1 d . . . . .
O22 O 0.2398(3) 0.5666(3) 0.7545(5) 0.068(3) Uani 1 1 d . . . . .
O23 O 0.2312(2) 0.3327(2) 0.8079(4) 0.0415(18) Uani 1 1 d . . . . .
O24 O 0.2137(3) 0.4016(3) 0.6839(4) 0.052(2) Uani 1 1 d . . . . .
C1 C 0.6267(3) 0.4078(4) 0.7087(5) 0.077(3) Uani 0.904(11) 1 d D U P A 1
C2 C 0.6286(3) 0.4504(4) 0.7035(6) 0.084(4) Uani 0.904(11) 1 d D U P A 1
H2 H 0.610770 0.464293 0.674118 0.101 Uiso 0.904(11) 1 calc R U P A 1
C3 C 0.6567(4) 0.4728(3) 0.7413(6) 0.097(4) Uani 0.904(11) 1 d D U P A 1
H3 H 0.657745 0.501619 0.737677 0.117 Uiso 0.904(11) 1 calc R U P A 1
C5 C 0.6812(3) 0.4098(3) 0.7900(5) 0.092(4) Uani 0.904(11) 1 d D U P A 1
C4 C 0.6831(4) 0.4522(4) 0.7844(6) 0.093(4) Uani 0.904(11) 1 d D U P A 1
H4 H 0.702321 0.467176 0.809839 0.112 Uiso 0.904(11) 1 calc R U P A 1
C6 C 0.7080(4) 0.3905(4) 0.8340(6) 0.102(4) Uani 0.904(11) 1 d D U P A 1
H6 H 0.726750 0.406289 0.859157 0.123 Uiso 0.904(11) 1 calc R U P A 1
C7 C 0.7072(4) 0.3480(4) 0.8410(7) 0.106(4) Uani 0.904(11) 1 d D U P A 1
H7 H 0.725218 0.334783 0.870959 0.128 Uiso 0.904(11) 1 calc R U P A 1
C8 C 0.6793(4) 0.3252(4) 0.8034(7) 0.100(4) Uani 0.904(11) 1 d D U P A 1
H8 H 0.678708 0.296336 0.807832 0.120 Uiso 0.904(11) 1 calc R U P A 1
C9 C 0.6526(4) 0.3444(4) 0.7594(7) 0.089(4) Uani 0.904(11) 1 d D U P A 1
H9 H 0.633882 0.328574 0.734230 0.107 Uiso 0.904(11) 1 calc R U P A 1
C10 C 0.6533(3) 0.3871(3) 0.7524(5) 0.085(4) Uani 0.904(11) 1 d D U P A 1
C1' C 0.6251(7) 0.3884(7) 0.7163(11) 0.062(7) Uani 0.096(11) 1 d D U P A 2
C2' C 0.6397(6) 0.4266(9) 0.7363(11) 0.062(7) Uani 0.096(11) 1 d D U P A 2
H2' H 0.631163 0.450526 0.713618 0.075 Uiso 0.096(11) 1 calc R U P A 2
C3' C 0.6669(10) 0.4296(13) 0.7897(15) 0.063(8) Uani 0.096(11) 1 d D U P A 2
H3' H 0.676716 0.455635 0.802995 0.075 Uiso 0.096(11) 1 calc R U P A 2
C5' C 0.6650(10) 0.3562(13) 0.8032(14) 0.063(7) Uani 0.096(11) 1 d D U P A 2
C4' C 0.6798(12) 0.3945(15) 0.8236(17) 0.063(7) Uani 0.096(11) 1 d D U P A 2
H4' H 0.698234 0.396589 0.859759 0.076 Uiso 0.096(11) 1 calc R U P A 2
C6' C 0.6775(16) 0.3208(16) 0.837(2) 0.063(7) Uani 0.096(11) 1 d D U P A 2
H6' H 0.695904 0.322692 0.872838 0.075 Uiso 0.096(11) 1 calc R U P A 2
C7' C 0.6628(18) 0.2827(14) 0.816(3) 0.062(8) Uani 0.096(11) 1 d D U P A 2
H7' H 0.671270 0.258690 0.838815 0.075 Uiso 0.096(11) 1 calc R U P A 2
C8' C 0.6356(17) 0.2799(10) 0.763(3) 0.063(8) Uani 0.096(11) 1 d D U P A 2
H8' H 0.625631 0.254006 0.749301 0.075 Uiso 0.096(11) 1 calc R U P A 2
C9' C 0.6231(13) 0.3153(9) 0.730(2) 0.063(7) Uani 0.096(11) 1 d D U P A 2
H9' H 0.604674 0.313443 0.693503 0.075 Uiso 0.096(11) 1 calc R U P A 2
C10' C 0.6379(8) 0.3534(9) 0.7500(12) 0.063(7) Uani 0.096(11) 1 d D U P A 2
C11 C 0.4515(4) 0.3113(4) 0.5504(6) 0.042(3) Uani 1 1 d . . . . .
C12 C 0.4129(4) 0.3092(4) 0.5206(6) 0.050(3) Uani 1 1 d . . . . .
H12 H 0.389344 0.312598 0.547385 0.060 Uiso 1 1 calc R U . . .
C13 C 0.4081(6) 0.3021(5) 0.4503(8) 0.077(5) Uani 1 1 d . . . . .
H13 H 0.381509 0.300831 0.431524 0.092 Uiso 1 1 calc R U . . .
C14 C 0.4415(6) 0.2972(5) 0.4108(8) 0.073(4) Uani 1 1 d . . . . .
H14 H 0.438014 0.293137 0.364540 0.087 Uiso 1 1 calc R U . . .
C15 C 0.4824(5) 0.2980(4) 0.4386(8) 0.062(4) Uani 1 1 d . . . . .
C16 C 0.5176(6) 0.2920(5) 0.3976(9) 0.076(5) Uani 1 1 d . . . . .
H16 H 0.514224 0.287187 0.351429 0.091 Uiso 1 1 calc R U . . .
C17 C 0.5564(7) 0.2932(5) 0.4245(10) 0.084(6) Uani 1 1 d . . . . .
H17 H 0.579355 0.289029 0.396675 0.100 Uiso 1 1 calc R U . . .
C18 C 0.5622(5) 0.3005(5) 0.4928(10) 0.079(5) Uani 1 1 d . . . . .
H18 H 0.589056 0.301382 0.510548 0.095 Uiso 1 1 calc R U . . .
C19 C 0.5284(4) 0.3063(4) 0.5345(8) 0.057(3) Uani 1 1 d . . . . .
H19 H 0.532600 0.310924 0.580541 0.068 Uiso 1 1 calc R U . . .
C20 C 0.4881(4) 0.3055(3) 0.5092(6) 0.046(3) Uani 1 1 d . . . . .
C21 C 0.2498(4) 0.4393(4) 0.5789(6) 0.043(3) Uani 1 1 d . . . . .
C22 C 0.2404(4) 0.4036(5) 0.5451(7) 0.055(3) Uani 1 1 d . . . . .
H22 H 0.227139 0.381879 0.567668 0.066 Uiso 1 1 calc R U . . .
C23 C 0.2507(6) 0.3993(6) 0.4750(8) 0.081(5) Uani 1 1 d . . . . .
H23 H 0.243735 0.375139 0.451683 0.097 Uiso 1 1 calc R U . . .
C24 C 0.2705(6) 0.4302(7) 0.4434(8) 0.088(6) Uani 1 1 d . . . . .
H24 H 0.278078 0.426490 0.398319 0.105 Uiso 1 1 calc R U . . .
C25 C 0.2804(5) 0.4681(6) 0.4751(8) 0.068(4) Uani 1 1 d . . . . .
C26 C 0.3014(5) 0.5006(7) 0.4405(9) 0.086(6) Uani 1 1 d . . . . .
H26 H 0.309391 0.497198 0.395498 0.103 Uiso 1 1 calc R U . . .
C27 C 0.3097(6) 0.5363(8) 0.4732(11) 0.101(7) Uani 1 1 d . . . . .
H27 H 0.322570 0.557810 0.449616 0.121 Uiso 1 1 calc R U . . .
C28 C 0.2997(6) 0.5424(6) 0.5413(10) 0.087(5) Uani 1 1 d . . . . .
H28 H 0.305276 0.567628 0.562699 0.105 Uiso 1 1 calc R U . . .
C29 C 0.2814(5) 0.5101(5) 0.5756(8) 0.067(4) Uani 1 1 d . . . . .
H29 H 0.276225 0.513223 0.621690 0.080 Uiso 1 1 calc R U . . .
C30 C 0.2701(4) 0.4727(5) 0.5445(7) 0.055(3) Uani 1 1 d . . . . .
C31 C 0.2626(4) 0.3280(4) 0.9332(6) 0.048(3) Uani 1 1 d . . . . .
C32 C 0.2257(4) 0.3092(4) 0.9476(7) 0.056(3) Uani 1 1 d . . . . .
H32 H 0.206300 0.304566 0.913511 0.068 Uiso 1 1 calc R U . . .
C33 C 0.2170(6) 0.2966(5) 1.0164(9) 0.076(5) Uani 1 1 d . . . . .
H33 H 0.191586 0.284334 1.026917 0.091 Uiso 1 1 calc R U . . .
C34 C 0.2456(6) 0.3024(5) 1.0650(8) 0.073(5) Uani 1 1 d . . . . .
H34 H 0.239532 0.294342 1.109172 0.087 Uiso 1 1 calc R U . . .
C35 C 0.2841(5) 0.3203(4) 1.0509(6) 0.057(3) Uani 1 1 d . . . . .
C36 C 0.3142(6) 0.3255(5) 1.1023(7) 0.072(5) Uani 1 1 d . . . . .
H36 H 0.308069 0.316623 1.145995 0.087 Uiso 1 1 calc R U . . .
C37 C 0.3515(6) 0.3429(7) 1.0897(8) 0.087(5) Uani 1 1 d . . . . .
H37 H 0.370357 0.346577 1.124875 0.104 Uiso 1 1 calc R U . . .
C38 C 0.3623(5) 0.3558(6) 1.0233(7) 0.075(5) Uani 1 1 d . . . . .
H38 H 0.388420 0.366947 1.014225 0.091 Uiso 1 1 calc R U . . .
C39 C 0.3332(4) 0.3516(4) 0.9727(7) 0.055(3) Uani 1 1 d . . . . .
H39 H 0.339929 0.360545 0.929250 0.066 Uiso 1 1 calc R U . . .
C40 C 0.2932(4) 0.3339(4) 0.9847(6) 0.051(3) Uani 1 1 d . . . . .
C41 C 0.2988(7) 0.6010(9) 0.848(2) 0.070(6) Uani 0.192(19) 1 d D U P B 1
C42 C 0.2961(6) 0.5819(9) 0.910(3) 0.071(6) Uani 0.192(19) 1 d D U P B 1
H42 H 0.290004 0.553650 0.912649 0.085 Uiso 0.192(19) 1 calc R U P B 1
C43 C 0.3022(9) 0.6046(13) 0.968(2) 0.072(7) Uani 0.192(19) 1 d D U P B 1
H43 H 0.300382 0.591583 1.010033 0.087 Uiso 0.192(19) 1 calc R U P B 1
C44 C 0.3111(11) 0.6462(13) 0.9643(19) 0.074(7) Uani 0.192(19) 1 d D U P B 1
H44 H 0.315296 0.661567 1.003656 0.089 Uiso 0.192(19) 1 calc R U P B 1
C45 C 0.3139(9) 0.6653(9) 0.9021(19) 0.073(7) Uani 0.192(19) 1 d D U P B 1
C46 C 0.3229(14) 0.7071(10) 0.898(2) 0.074(7) Uani 0.192(19) 1 d D U P B 1
H46 H 0.327057 0.722411 0.937733 0.089 Uiso 0.192(19) 1 calc R U P B 1
C47 C 0.3256(15) 0.7262(9) 0.836(2) 0.075(7) Uani 0.192(19) 1 d D U P B 1
H47 H 0.331623 0.754497 0.833613 0.090 Uiso 0.192(19) 1 calc R U P B 1
C48 C 0.3194(15) 0.7036(12) 0.778(2) 0.073(7) Uani 0.192(19) 1 d D U P B 1
H48 H 0.321333 0.716477 0.736167 0.088 Uiso 0.192(19) 1 calc R U P B 1
C49 C 0.3105(12) 0.6619(12) 0.7822(19) 0.074(6) Uani 0.192(19) 1 d D U P B 1
H49 H 0.306253 0.646531 0.742787 0.089 Uiso 0.192(19) 1 calc R U P B 1
C50 C 0.3077(8) 0.6428(9) 0.8442(19) 0.072(6) Uani 0.192(19) 1 d D U P B 1
C41' C 0.2935(4) 0.6053(4) 0.8359(9) 0.098(4) Uani 0.808(19) 1 d D U P B 2
C42' C 0.3025(4) 0.5890(4) 0.8984(9) 0.098(4) Uani 0.808(19) 1 d D U P B 2
H42' H 0.301656 0.560368 0.905107 0.117 Uiso 0.808(19) 1 calc R U P B 2
C43' C 0.3129(5) 0.6149(5) 0.9512(8) 0.110(5) Uani 0.808(19) 1 d D U P B 2
H43' H 0.318974 0.603775 0.993529 0.133 Uiso 0.808(19) 1 calc R U P B 2
C44' C 0.3141(5) 0.6572(5) 0.9413(8) 0.111(5) Uani 0.808(19) 1 d D U P B 2
H44' H 0.321038 0.674766 0.977014 0.134 Uiso 0.808(19) 1 calc R U P B 2
C45' C 0.3052(4) 0.6736(4) 0.8787(8) 0.111(4) Uani 0.808(19) 1 d D U P B 2
C46' C 0.3066(6) 0.7160(4) 0.8697(9) 0.116(5) Uani 0.808(19) 1 d D U P B 2
H46' H 0.313488 0.733344 0.905767 0.139 Uiso 0.808(19) 1 calc R U P B 2
C47' C 0.2977(6) 0.7329(4) 0.8074(10) 0.116(5) Uani 0.808(19) 1 d D U P B 2
H47' H 0.298746 0.761573 0.801125 0.139 Uiso 0.808(19) 1 calc R U P B 2
C48' C 0.2873(7) 0.7072(5) 0.7545(8) 0.116(5) Uani 0.808(19) 1 d D U P B 2
H48' H 0.281296 0.718511 0.712254 0.139 Uiso 0.808(19) 1 calc R U P B 2
C49' C 0.2858(6) 0.6649(5) 0.7637(8) 0.103(4) Uani 0.808(19) 1 d D U P B 2
H49' H 0.278695 0.647683 0.727639 0.124 Uiso 0.808(19) 1 calc R U P B 2
C50' C 0.2948(4) 0.6478(4) 0.8260(7) 0.104(4) Uani 0.808(19) 1 d D U P B 2
C51 C 0.4186(4) 0.4481(5) 0.8812(7) 0.090(4) Uani 0.80(2) 1 d D U P C 1
C52 C 0.4107(4) 0.4892(5) 0.8960(7) 0.082(4) Uani 0.80(2) 1 d D U P C 1
H52 H 0.394782 0.504934 0.866154 0.098 Uiso 0.80(2) 1 calc R U P C 1
C53 C 0.4258(4) 0.5074(5) 0.9537(8) 0.093(5) Uani 0.80(2) 1 d D U P C 1
H53 H 0.420229 0.535208 0.962998 0.112 Uiso 0.80(2) 1 calc R U P C 1
C54 C 0.4494(5) 0.4838(5) 0.9980(7) 0.100(4) Uani 0.80(2) 1 d D U P C 1
H54 H 0.459844 0.495477 1.037622 0.119 Uiso 0.80(2) 1 calc R U P C 1
C55 C 0.4573(4) 0.4429(5) 0.9827(7) 0.081(4) Uani 0.80(2) 1 d D U P C 1
C56 C 0.4808(5) 0.4206(6) 1.0279(7) 0.100(4) Uani 0.80(2) 1 d D U P C 1
H56 H 0.490873 0.433317 1.066923 0.120 Uiso 0.80(2) 1 calc R U P C 1
C57 C 0.4894(5) 0.3797(6) 1.0152(8) 0.103(5) Uani 0.80(2) 1 d D U P C 1
H57 H 0.505325 0.364339 1.045631 0.124 Uiso 0.80(2) 1 calc R U P C 1
C58 C 0.4744(5) 0.3612(5) 0.9575(9) 0.088(5) Uani 0.80(2) 1 d D U P C 1
H58 H 0.480388 0.333333 0.949140 0.106 Uiso 0.80(2) 1 calc R U P C 1
C59 C 0.4508(5) 0.3831(5) 0.9120(8) 0.085(4) Uani 0.80(2) 1 d D U P C 1
H59 H 0.440794 0.370303 0.872952 0.102 Uiso 0.80(2) 1 calc R U P C 1
C60 C 0.4422(4) 0.4248(4) 0.9251(7) 0.089(4) Uani 0.80(2) 1 d D U P C 1
C51' C 0.4154(7) 0.4354(9) 0.8907(13) 0.052(6) Uani 0.20(2) 1 d D U P C 2
C52' C 0.4030(6) 0.4742(9) 0.9122(15) 0.052(6) Uani 0.20(2) 1 d D U P C 2
H52' H 0.387032 0.490921 0.883904 0.062 Uiso 0.20(2) 1 calc R U P C 2
C53' C 0.4142(8) 0.4882(9) 0.9752(17) 0.053(7) Uani 0.20(2) 1 d D U P C 2
H53' H 0.405719 0.514499 0.989663 0.064 Uiso 0.20(2) 1 calc R U P C 2
C54' C 0.4378(10) 0.4635(11) 1.0170(15) 0.055(6) Uani 0.20(2) 1 d D U P C 2
H54' H 0.445430 0.472983 1.059732 0.067 Uiso 0.20(2) 1 calc R U P C 2
C55' C 0.4501(8) 0.4248(9) 0.9954(13) 0.053(6) Uani 0.20(2) 1 d D U P C 2
C56' C 0.4737(11) 0.4001(12) 1.0373(16) 0.055(7) Uani 0.20(2) 1 d D U P C 2
H56' H 0.481271 0.409712 1.080048 0.066 Uiso 0.20(2) 1 calc R U P C 2
C57' C 0.4861(12) 0.3614(11) 1.016(2) 0.056(7) Uani 0.20(2) 1 d D U P C 2
H57' H 0.502080 0.344634 1.044419 0.067 Uiso 0.20(2) 1 calc R U P C 2
C58' C 0.4750(13) 0.3474(9) 0.953(2) 0.054(7) Uani 0.20(2) 1 d D U P C 2
H58' H 0.483444 0.321138 0.938626 0.065 Uiso 0.20(2) 1 calc R U P C 2
C59' C 0.4514(11) 0.3720(9) 0.9110(18) 0.049(6) Uani 0.20(2) 1 d D U P C 2
H59' H 0.443878 0.362511 0.868243 0.059 Uiso 0.20(2) 1 calc R U P C 2
C60' C 0.4390(7) 0.4108(8) 0.9326(14) 0.053(6) Uani 0.20(2) 1 d D U P C 2
C61 C 0.5816(6) 0.3029(7) 0.8883(10) 0.097(6) Uani 1 1 d . . . . .
H61 H 0.583398 0.275293 0.874497 0.116 Uiso 1 1 calc R U . . .
C62 C 0.5987(7) 0.3153(11) 0.9482(11) 0.127(9) Uani 1 1 d . . . . .
H62 H 0.611406 0.295307 0.975207 0.152 Uiso 1 1 calc R U . . .
C63 C 0.5807(8) 0.3818(8) 0.9293(11) 0.118(8) Uani 1 1 d . . . . .
H63 H 0.581273 0.409774 0.941562 0.142 Uiso 1 1 calc R U . . .
C64 C 0.5614(5) 0.3718(6) 0.8684(8) 0.074(5) Uani 1 1 d . . . . .
C65 C 0.5401(4) 0.4003(5) 0.8232(7) 0.056(3) Uani 1 1 d . . . . .
C67 C 0.5378(6) 0.5022(5) 0.7860(9) 0.077(5) Uani 1 1 d . . . . .
H67 H 0.554118 0.510159 0.822825 0.092 Uiso 1 1 calc R U . . .
C68 C 0.5248(6) 0.5359(3) 0.7392(8) 0.098(4) Uani 1 1 d D U . . .
C69 C 0.5373(7) 0.5751(4) 0.7579(8) 0.113(5) Uani 1 1 d D U . . .
H69 H 0.552772 0.578863 0.797172 0.135 Uiso 1 1 calc R U . . .
C70 C 0.5268(7) 0.6090(3) 0.7186(9) 0.115(5) Uani 1 1 d D U . . .
H70 H 0.533258 0.635787 0.732910 0.138 Uiso 1 1 calc R U . . .
C71 C 0.5067(7) 0.6026(3) 0.6580(8) 0.109(5) Uani 1 1 d D U . . .
H71 H 0.499979 0.625295 0.630733 0.130 Uiso 1 1 calc R U . . .
C72 C 0.4967(6) 0.5634(4) 0.6375(7) 0.092(4) Uani 1 1 d D U . . .
C73 C 0.5052(5) 0.5294(3) 0.6782(7) 0.087(4) Uani 1 1 d D U . . .
C74 C 0.4656(7) 0.5900(5) 0.5369(10) 0.100(7) Uani 1 1 d . . . . .
H74A H 0.447013 0.607948 0.561485 0.150 Uiso 1 1 calc R U . . .
H74B H 0.452121 0.580353 0.496495 0.150 Uiso 1 1 calc R U . . .
H74C H 0.490319 0.605197 0.525055 0.150 Uiso 1 1 calc R U . . .
C75 C 0.4026(6) 0.4177(6) 0.4714(8) 0.081(5) Uani 1 1 d . . . . .
H75A H 0.405881 0.397235 0.506416 0.122 Uiso 1 1 calc R U . . .
H75B H 0.412181 0.406489 0.429118 0.122 Uiso 1 1 calc R U . . .
H75C H 0.373666 0.425055 0.467488 0.122 Uiso 1 1 calc R U . . .
C76 C 0.4229(5) 0.4903(6) 0.4437(9) 0.086(6) Uani 1 1 d . . . . .
H76A H 0.440709 0.512110 0.460125 0.129 Uiso 1 1 calc R U . . .
H76B H 0.394548 0.499947 0.443381 0.129 Uiso 1 1 calc R U . . .
H76C H 0.431045 0.482778 0.398608 0.129 Uiso 1 1 calc R U . . .
C77 C 0.4509(4) 0.4550(4) 0.5403(7) 0.060(4) Uani 1 1 d . . . . .
H77 H 0.466535 0.478988 0.547240 0.071 Uiso 1 1 calc R U . . .
C78 C 0.3002(5) 0.4525(5) 0.9841(9) 0.065(4) Uani 1 1 d . . . . .
H78 H 0.289053 0.425779 0.983882 0.078 Uiso 1 1 calc R U . . .
C79 C 0.3259(9) 0.5106(8) 1.0442(11) 0.135(10) Uani 1 1 d . . . . .
H79A H 0.327806 0.520912 0.998615 0.203 Uiso 1 1 calc R U . . .
H79B H 0.352630 0.512808 1.065721 0.203 Uiso 1 1 calc R U . . .
H79C H 0.305901 0.526855 1.068930 0.203 Uiso 1 1 calc R U . . .
C80 C 0.3095(6) 0.4451(6) 1.1060(9) 0.087(5) Uani 1 1 d . . . . .
H80A H 0.296828 0.418472 1.097516 0.131 Uiso 1 1 calc R U . . .
H80B H 0.292555 0.460548 1.137221 0.131 Uiso 1 1 calc R U . . .
H80C H 0.336690 0.441026 1.125076 0.131 Uiso 1 1 calc R U . . .
C81 C 0.3465(5) 0.3921(5) 0.6197(7) 0.067(4) Uani 1 1 d . . . . .
H81A H 0.370948 0.376520 0.607484 0.101 Uiso 1 1 calc R U . . .
H81B H 0.354461 0.419700 0.633115 0.101 Uiso 1 1 calc R U . . .
H81C H 0.328064 0.393584 0.581538 0.101 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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
_geom_angle_publ_flag
O22 Dy1 O4 94.7(3) 7_567 7_567 ?
O22 Dy1 O16 83.4(4) 7_567 . ?
O4 Dy1 O16 171.3(3) 7_567 . ?
O22 Dy1 O15 142.3(3) 7_567 . ?
O4 Dy1 O15 96.0(3) 7_567 . ?
O16 Dy1 O15 80.7(3) . . ?
O22 Dy1 O1 141.5(3) 7_567 . ?
O4 Dy1 O1 105.2(3) 7_567 . ?
O16 Dy1 O1 81.1(3) . . ?
O15 Dy1 O1 68.7(3) . . ?
O22 Dy1 O21 93.3(3) 7_567 . ?
O4 Dy1 O21 79.1(3) 7_567 . ?
O16 Dy1 O21 109.4(3) . . ?
O15 Dy1 O21 124.2(3) . . ?
O1 Dy1 O21 59.7(3) . . ?
O22 Dy1 N1 81.0(4) 7_567 . ?
O4 Dy1 N1 78.9(3) 7_567 . ?
O16 Dy1 N1 92.4(4) . . ?
O15 Dy1 N1 65.9(4) . . ?
O1 Dy1 N1 134.6(4) . . ?
O21 Dy1 N1 156.7(3) . . ?
O22 Dy1 P2 121.0(3) 7_567 . ?
O4 Dy1 P2 89.1(2) 7_567 . ?
O16 Dy1 P2 99.1(2) . . ?
O15 Dy1 P2 95.2(2) . . ?
O1 Dy1 P2 30.1(2) . . ?
O21 Dy1 P2 30.07(18) . . ?
N1 Dy1 P2 156.1(3) . . ?
O22 Dy1 Dy2 154.9(3) 7_567 . ?
O4 Dy1 Dy2 110.1(2) 7_567 . ?
O16 Dy1 Dy2 71.5(2) . . ?
O15 Dy1 Dy2 34.3(2) . . ?
O1 Dy1 Dy2 35.76(19) . . ?
O21 Dy1 Dy2 95.10(18) . . ?
N1 Dy1 Dy2 99.5(3) . . ?
P2 Dy1 Dy2 65.04(6) . . ?
O14 Dy2 O12 92.1(3) . . ?
O14 Dy2 O18 89.2(3) . . ?
O12 Dy2 O18 172.4(3) . . ?
O14 Dy2 O15 136.6(3) . . ?
O12 Dy2 O15 92.1(3) . . ?
O18 Dy2 O15 81.8(3) . . ?
O14 Dy2 O19 77.5(3) . . ?
O12 Dy2 O19 93.4(3) . . ?
O18 Dy2 O19 94.2(3) . . ?
O15 Dy2 O19 145.2(3) . . ?
O14 Dy2 O1 152.4(3) . . ?
O12 Dy2 O1 98.7(3) . . ?
O18 Dy2 O1 83.4(3) . . ?
O15 Dy2 O1 68.7(3) . . ?
O19 Dy2 O1 76.5(3) . . ?
O14 Dy2 N4 73.4(4) . . ?
O12 Dy2 N4 88.3(3) . . ?
O18 Dy2 N4 84.8(3) . . ?
O15 Dy2 N4 63.6(4) . . ?
O19 Dy2 N4 150.9(4) . . ?
O1 Dy2 N4 131.9(3) . . ?
O14 Dy2 Dy1 160.5(2) . . ?
O12 Dy2 Dy1 103.9(2) . . ?
O18 Dy2 Dy1 73.6(2) . . ?
O15 Dy2 Dy1 33.7(2) . . ?
O19 Dy2 Dy1 112.0(2) . . ?
O1 Dy2 Dy1 36.37(19) . . ?
N4 Dy2 Dy1 95.7(3) . . ?
O8 Dy3 O6 173.5(3) . . ?
O8 Dy3 O3 92.4(4) . . ?
O6 Dy3 O3 91.6(3) . . ?
O8 Dy3 O10 84.7(3) . . ?
O6 Dy3 O10 100.6(3) . . ?
O3 Dy3 O10 87.7(3) . . ?
O8 Dy3 O7 87.8(4) . . ?
O6 Dy3 O7 87.9(3) . . ?
O3 Dy3 O7 176.8(3) . . ?
O10 Dy3 O7 95.5(3) . . ?
O8 Dy3 O21 84.0(3) . 8_657 ?
O6 Dy3 O21 91.0(3) . 8_657 ?
O3 Dy3 O21 87.9(3) . 8_657 ?
O10 Dy3 O21 167.6(3) . 8_657 ?
O7 Dy3 O21 89.0(3) . 8_657 ?
O24 Dy4 O5 94.0(3) 7_567 . ?
O24 Dy4 O11 88.4(4) 7_567 . ?
O5 Dy4 O11 91.7(3) . . ?
O24 Dy4 O2 93.7(3) 7_567 . ?
O5 Dy4 O2 170.0(3) . . ?
O11 Dy4 O2 94.9(3) . . ?
O24 Dy4 O23 97.7(3) 7_567 7_567 ?
O5 Dy4 O23 88.1(3) . 7_567 ?
O11 Dy4 O23 173.9(3) . 7_567 ?
O2 Dy4 O23 84.6(3) . 7_567 ?
O24 Dy4 O20 170.8(3) 7_567 . ?
O5 Dy4 O20 90.5(3) . . ?
O11 Dy4 O20 83.4(3) . . ?
O2 Dy4 O20 82.8(3) . . ?
O23 Dy4 O20 90.5(3) 7_567 . ?
O18 P1 O16 114.8(5) . . ?
O18 P1 O17 108.7(6) . . ?
O16 P1 O17 111.6(6) . . ?
O18 P1 C1' 121.9(10) . . ?
O16 P1 C1' 89.9(9) . . ?
O17 P1 C1' 108.8(11) . . ?
O18 P1 C1 107.2(6) . . ?
O16 P1 C1 109.5(6) . . ?
O17 P1 C1 104.4(5) . . ?
O2 P2 O21 114.2(4) . . ?
O2 P2 O1 112.7(5) . . ?
O21 P2 O1 103.3(4) . . ?
O2 P2 C11 107.0(5) . . ?
O21 P2 C11 106.9(5) . . ?
O1 P2 C11 112.8(5) . . ?
O2 P2 Dy1 121.7(4) . . ?
O21 P2 Dy1 52.3(3) . . ?
O1 P2 Dy1 51.8(3) . . ?
C11 P2 Dy1 131.3(4) . . ?
O24 P3 O4 113.3(5) . . ?
O24 P3 O3 110.5(5) . . ?
O4 P3 O3 110.9(5) . . ?
O24 P3 C21 106.3(5) . . ?
O4 P3 C21 108.5(5) . . ?
O3 P3 C21 107.1(5) . . ?
O6 P4 O5 111.2(4) . . ?
O6 P4 O23 113.7(4) . . ?
O5 P4 O23 109.6(5) . . ?
O6 P4 C31 108.4(5) . . ?
O5 P4 C31 108.0(5) . . ?
O23 P4 C31 105.6(5) . . ?
O22 P5 O9 113.0(7) . . ?
O22 P5 O8 111.5(5) . . ?
O9 P5 O8 110.7(6) . . ?
O22 P5 C41' 105.1(6) . . ?
O9 P5 C41' 107.5(7) . . ?
O8 P5 C41' 108.7(7) . . ?
O22 P5 C41 110.8(8) . . ?
O9 P5 C41 110.3(11) . . ?
O8 P5 C41 99.8(12) . . ?
O11 P6 O10 110.4(5) . . ?
O11 P6 O12 113.8(5) . . ?
O10 P6 O12 110.7(5) . . ?
O11 P6 C51 119.2(7) . . ?
O10 P6 C51 97.4(6) . . ?
O12 P6 C51 104.0(5) . . ?
O11 P6 C51' 105.5(10) . . ?
O10 P6 C51' 102.6(9) . . ?
O12 P6 C51' 113.1(9) . . ?
C61 N1 C64 119.7(16) . . ?
C61 N1 Dy1 124.2(14) . . ?
C64 N1 Dy1 116.1(10) . . ?
C63 N2 C62 115(2) . . ?
C65 N3 N4 111.7(12) . . ?
C67 N4 N3 113.0(13) . . ?
C67 N4 Dy2 128.6(12) . . ?
N3 N4 Dy2 118.2(8) . . ?
C77 N5 C75 121.6(12) . . ?
C77 N5 C76 120.3(15) . . ?
C75 N5 C76 118.1(14) . . ?
C78 N6 C79 117.2(15) . . ?
C78 N6 C80 122.7(15) . . ?
C79 N6 C80 119.7(14) . . ?
P2 O1 Dy2 149.3(5) . . ?
P2 O1 Dy1 98.1(4) . . ?
Dy2 O1 Dy1 107.9(3) . . ?
P2 O2 Dy4 148.4(5) . . ?
P3 O3 Dy3 131.3(4) . . ?
P3 O4 Dy1 146.3(5) . 8_657 ?
P4 O5 Dy4 145.8(5) . . ?
P4 O6 Dy3 164.6(5) . . ?
C78 O7 Dy3 137.6(10) . . ?
P5 O8 Dy3 154.3(7) . . ?
P6 O10 Dy3 142.3(5) . . ?
P6 O11 Dy4 154.7(7) . . ?
P6 O12 Dy2 154.2(5) . . ?
C72 O13 C74 116.4(13) . . ?
C73 O14 Dy2 144.1(9) . . ?
C65 O15 Dy1 124.1(9) . . ?
C65 O15 Dy2 119.8(8) . . ?
Dy1 O15 Dy2 112.0(3) . . ?
P1 O16 Dy1 138.8(6) . . ?
P1 O18 Dy2 136.9(5) . . ?
C77 O19 Dy2 129.1(10) . . ?
C81 O20 Dy4 121.6(7) . . ?
P2 O21 Dy3 135.8(4) . 7_567 ?
P2 O21 Dy1 97.6(4) . . ?
Dy3 O21 Dy1 123.3(3) 7_567 . ?
P5 O22 Dy1 138.8(6) . 8_657 ?
P4 O23 Dy4 140.9(4) . 8_657 ?
P3 O24 Dy4 152.1(5) . 8_657 ?
C2 C1 C10 119.7(7) . . ?
C2 C1 P1 112.8(8) . . ?
C10 C1 P1 127.5(8) . . ?
C3 C2 C1 120.7(7) . . ?
C4 C3 C2 119.5(7) . . ?
C6 C5 C4 118.3(9) . . ?
C6 C5 C10 121.0(7) . . ?
C4 C5 C10 120.7(7) . . ?
C5 C4 C3 120.2(7) . . ?
C5 C6 C7 120.1(7) . . ?
C6 C7 C8 119.3(7) . . ?
C9 C8 C7 120.7(7) . . ?
C8 C9 C10 120.1(7) . . ?
C5 C10 C9 118.9(6) . . ?
C5 C10 C1 119.2(7) . . ?
C9 C10 C1 121.9(9) . . ?
C2' C1' C10' 119.5(7) . . ?
C2' C1' P1 120.4(8) . . ?
C10' C1' P1 120.0(8) . . ?
C1' C2' C3' 120.1(8) . . ?
C2' C3' C4' 120.5(8) . . ?
C10' C5' C6' 119.9(8) . . ?
C10' C5' C4' 120.3(8) . . ?
C6' C5' C4' 119.8(11) . . ?
C3' C4' C5' 119.0(7) . . ?
C7' C6' C5' 119.9(8) . . ?
C8' C7' C6' 120.1(8) . . ?
C7' C8' C9' 119.9(8) . . ?
C10' C9' C8' 119.8(8) . . ?
C5' C10' C1' 120.5(8) . . ?
C5' C10' C9' 120.3(8) . . ?
C1' C10' C9' 119.2(11) . . ?
C12 C11 C20 119.2(11) . . ?
C12 C11 P2 116.5(9) . . ?
C20 C11 P2 124.2(10) . . ?
C11 C12 C13 121.9(13) . . ?
C14 C13 C12 120.1(16) . . ?
C13 C14 C15 121.0(15) . . ?
C16 C15 C14 121.2(16) . . ?
C16 C15 C20 118.9(16) . . ?
C14 C15 C20 119.9(13) . . ?
C17 C16 C15 120.6(17) . . ?
C16 C17 C18 120.9(16) . . ?
C19 C18 C17 120.0(17) . . ?
C18 C19 C20 121.2(15) . . ?
C19 C20 C15 118.4(12) . . ?
C19 C20 C11 123.7(12) . . ?
C15 C20 C11 117.9(13) . . ?
C22 C21 C30 120.1(12) . . ?
C22 C21 P3 117.2(10) . . ?
C30 C21 P3 122.7(10) . . ?
C21 C22 C23 120.3(15) . . ?
C24 C23 C22 119.5(17) . . ?
C23 C24 C25 122.9(15) . . ?
C24 C25 C30 117.9(15) . . ?
C24 C25 C26 122.0(16) . . ?
C30 C25 C26 120.1(17) . . ?
C27 C26 C25 119.3(17) . . ?
C26 C27 C28 122.6(18) . . ?
C29 C28 C27 118(2) . . ?
C28 C29 C30 123.0(16) . . ?
C29 C30 C25 117.0(13) . . ?
C29 C30 C21 123.7(12) . . ?
C25 C30 C21 119.3(14) . . ?
C32 C31 C40 120.5(11) . . ?
C32 C31 P4 117.1(10) . . ?
C40 C31 P4 122.4(10) . . ?
C31 C32 C33 119.4(15) . . ?
C34 C33 C32 120.1(14) . . ?
C33 C34 C35 121.5(13) . . ?
C34 C35 C40 119.7(14) . . ?
C34 C35 C36 120.9(14) . . ?
C40 C35 C36 119.4(14) . . ?
C37 C36 C35 121.7(14) . . ?
C36 C37 C38 120.7(15) . . ?
C39 C38 C37 118.5(16) . . ?
C38 C39 C40 122.1(13) . . ?
C35 C40 C31 118.8(12) . . ?
C35 C40 C39 117.6(12) . . ?
C31 C40 C39 123.7(11) . . ?
C42 C41 C50 119.7(8) . . ?
C42 C41 P5 115.8(19) . . ?
C50 C41 P5 124.3(19) . . ?
C43 C42 C41 120.0(8) . . ?
C44 C43 C42 120.1(8) . . ?
C43 C44 C45 119.8(8) . . ?
C50 C45 C46 120.2(8) . . ?
C50 C45 C44 120.0(8) . . ?
C46 C45 C44 119.8(11) . . ?
C47 C46 C45 119.9(8) . . ?
C48 C47 C46 120.0(8) . . ?
C49 C48 C47 120.0(8) . . ?
C48 C49 C50 120.0(8) . . ?
C45 C50 C49 120.0(8) . . ?
C45 C50 C41 120.2(8) . . ?
C49 C50 C41 119.8(11) . . ?
C42' C41' C50' 119.8(7) . . ?
C42' C41' P5 114.2(9) . . ?
C50' C41' P5 125.8(10) . . ?
C41' C42' C43' 120.3(7) . . ?
C44' C43' C42' 119.8(7) . . ?
C43' C44' C45' 120.0(7) . . ?
C50' C45' C44' 120.2(7) . . ?
C50' C45' C46' 120.5(7) . . ?
C44' C45' C46' 119.3(9) . . ?
C47' C46' C45' 120.0(7) . . ?
C48' C47' C46' 119.7(7) . . ?
C49' C48' C47' 120.2(7) . . ?
C48' C49' C50' 120.4(7) . . ?
C45' C50' C49' 119.2(7) . . ?
C45' C50' C41' 119.9(7) . . ?
C49' C50' C41' 120.9(9) . . ?
C60 C51 C52 119.4(7) . . ?
C60 C51 P6 120.8(9) . . ?
C52 C51 P6 119.7(9) . . ?
C53 C52 C51 121.4(7) . . ?
C52 C53 C54 119.1(7) . . ?
C55 C54 C53 119.1(7) . . ?
C60 C55 C56 121.1(7) . . ?
C60 C55 C54 121.7(7) . . ?
C56 C55 C54 117.2(9) . . ?
C57 C56 C55 119.6(7) . . ?
C56 C57 C58 119.8(7) . . ?
C59 C58 C57 121.2(7) . . ?
C58 C59 C60 118.8(7) . . ?
C55 C60 C51 119.3(7) . . ?
C55 C60 C59 119.6(7) . . ?
C51 C60 C59 121.1(9) . . ?
C60' C51' C52' 119.7(7) . . ?
C60' C51' P6 128.5(14) . . ?
C52' C51' P6 111.7(14) . . ?
C53' C52' C51' 120.3(8) . . ?
C52' C53' C54' 119.9(8) . . ?
C53' C54' C55' 119.8(8) . . ?
C60' C55' C56' 120.2(7) . . ?
C60' C55' C54' 120.3(7) . . ?
C56' C55' C54' 119.6(11) . . ?
C57' C56' C55' 119.9(8) . . ?
C58' C57' C56' 119.9(8) . . ?
C57' C58' C59' 120.2(8) . . ?
C58' C59' C60' 119.6(8) . . ?
C55' C60' C51' 120.1(7) . . ?
C55' C60' C59' 120.2(7) . . ?
C51' C60' C59' 119.7(11) . . ?
N1 C61 C62 119(2) . . ?
N2 C62 C61 124(2) . . ?
N2 C63 C64 126(2) . . ?
N1 C64 C63 117.2(19) . . ?
N1 C64 C65 116.2(13) . . ?
C63 C64 C65 126.6(19) . . ?
N3 C65 O15 126.7(13) . . ?
N3 C65 C64 117.1(14) . . ?
O15 C65 C64 116.1(14) . . ?
N4 C67 C68 127.0(16) . . ?
C69 C68 C73 120.5(7) . . ?
C69 C68 C67 114.8(11) . . ?
C73 C68 C67 124.5(11) . . ?
C68 C69 C70 120.2(7) . . ?
C71 C70 C69 119.2(7) . . ?
C72 C71 C70 120.3(7) . . ?
O13 C72 C71 123.8(10) . . ?
O13 C72 C73 115.4(10) . . ?
C71 C72 C73 120.8(7) . . ?
O14 C73 C68 121.9(11) . . ?
O14 C73 C72 119.4(11) . . ?
C68 C73 C72 118.7(7) . . ?
O19 C77 N5 124.7(14) . . ?
O7 C78 N6 124.5(15) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O22 2.210(10) 7_567 ?
Dy1 O4 2.210(8) 7_567 ?
Dy1 O16 2.281(8) . ?
Dy1 O15 2.322(9) . ?
Dy1 O1 2.417(8) . ?
Dy1 O21 2.431(8) . ?
Dy1 N1 2.507(12) . ?
Dy1 P2 3.043(3) . ?
Dy1 Dy2 3.8797(8) . ?
Dy2 O14 2.215(8) . ?
Dy2 O12 2.224(8) . ?
Dy2 O18 2.270(8) . ?
Dy2 O15 2.358(9) . ?
Dy2 O19 2.370(9) . ?
Dy2 O1 2.382(8) . ?
Dy2 N4 2.522(12) . ?
Dy3 O8 2.197(9) . ?
Dy3 O6 2.217(8) . ?
Dy3 O3 2.246(8) . ?
Dy3 O10 2.259(8) . ?
Dy3 O7 2.303(10) . ?
Dy3 O21 2.342(8) 8_657 ?
Dy4 O24 2.194(8) 7_567 ?
Dy4 O5 2.210(7) . ?
Dy4 O11 2.227(10) . ?
Dy4 O2 2.244(8) . ?
Dy4 O23 2.252(8) 7_567 ?
Dy4 O20 2.416(7) . ?
P1 O18 1.482(9) . ?
P1 O16 1.501(10) . ?
P1 O17 1.560(10) . ?
P1 C1' 1.769(11) . ?
P1 C1 1.850(11) . ?
P2 O2 1.504(8) . ?
P2 O21 1.538(8) . ?
P2 O1 1.539(9) . ?
P2 C11 1.797(12) . ?
P3 O24 1.506(8) . ?
P3 O4 1.531(9) . ?
P3 O3 1.540(10) . ?
P3 C21 1.816(12) . ?
P4 O6 1.512(8) . ?
P4 O5 1.514(8) . ?
P4 O23 1.529(8) . ?
P4 C31 1.821(11) . ?
P5 O22 1.508(11) . ?
P5 O9 1.518(11) . ?
P5 O8 1.528(10) . ?
P5 C41' 1.836(15) . ?
P5 C41 1.96(4) . ?
P6 O11 1.481(9) . ?
P6 O10 1.518(9) . ?
P6 O12 1.520(8) . ?
P6 C51 1.911(13) . ?
P6 C51' 1.93(2) . ?
N1 C61 1.35(2) . ?
N1 C64 1.35(2) . ?
N2 C63 1.30(3) . ?
N2 C62 1.36(3) . ?
N3 C65 1.275(19) . ?
N3 N4 1.377(18) . ?
N4 C67 1.305(18) . ?
N5 C77 1.298(19) . ?
N5 C75 1.43(2) . ?
N5 C76 1.460(17) . ?
N6 C78 1.330(19) . ?
N6 C79 1.43(2) . ?
N6 C80 1.45(2) . ?
O7 C78 1.225(18) . ?
O13 C72 1.352(16) . ?
O13 C74 1.449(18) . ?
O14 C73 1.329(13) . ?
O15 C65 1.304(16) . ?
O19 C77 1.271(15) . ?
O20 C81 1.457(15) . ?
C1 C2 1.374(8) . ?
C1 C10 1.384(8) . ?
C2 C3 1.370(8) . ?
C3 C4 1.370(8) . ?
C5 C6 1.368(8) . ?
C5 C4 1.369(8) . ?
C5 C10 1.372(7) . ?
C6 C7 1.373(8) . ?
C7 C8 1.373(8) . ?
C8 C9 1.368(8) . ?
C9 C10 1.381(8) . ?
C1' C2' 1.370(9) . ?
C1' C10' 1.370(9) . ?
C2' C3' 1.372(9) . ?
C3' C4' 1.375(9) . ?
C5' C10' 1.367(8) . ?
C5' C6' 1.374(9) . ?
C5' C4' 1.378(9) . ?
C6' C7' 1.372(9) . ?
C7' C8' 1.371(9) . ?
C8' C9' 1.372(9) . ?
C9' C10' 1.371(9) . ?
C11 C12 1.373(18) . ?
C11 C20 1.440(16) . ?
C12 C13 1.42(2) . ?
C13 C14 1.34(2) . ?
C14 C15 1.42(2) . ?
C15 C16 1.40(2) . ?
C15 C20 1.427(19) . ?
C16 C17 1.36(3) . ?
C17 C18 1.38(3) . ?
C18 C19 1.378(19) . ?
C19 C20 1.385(19) . ?
C21 C22 1.359(18) . ?
C21 C30 1.426(17) . ?
C22 C23 1.43(2) . ?
C23 C24 1.33(3) . ?
C24 C25 1.40(3) . ?
C25 C30 1.417(19) . ?
C25 C26 1.42(2) . ?
C26 C27 1.34(3) . ?
C27 C28 1.40(3) . ?
C28 C29 1.37(2) . ?
C29 C30 1.40(2) . ?
C31 C32 1.359(18) . ?
C31 C40 1.424(18) . ?
C32 C33 1.44(2) . ?
C33 C34 1.34(2) . ?
C34 C35 1.39(2) . ?
C35 C40 1.408(17) . ?
C35 C36 1.41(2) . ?
C36 C37 1.34(2) . ?
C37 C38 1.42(2) . ?
C38 C39 1.37(2) . ?
C39 C40 1.427(19) . ?
C41 C42 1.372(9) . ?
C41 C50 1.374(9) . ?
C42 C43 1.371(9) . ?
C43 C44 1.370(9) . ?
C44 C45 1.375(9) . ?
C45 C50 1.367(8) . ?
C45 C46 1.373(9) . ?
C46 C47 1.373(9) . ?
C47 C48 1.372(9) . ?
C48 C49 1.371(9) . ?
C49 C50 1.373(9) . ?
C41' C42' 1.371(8) . ?
C41' C50' 1.380(8) . ?
C42' C43' 1.373(8) . ?
C43' C44' 1.372(8) . ?
C44' C45' 1.373(8) . ?
C45' C50' 1.370(8) . ?
C45' C46' 1.376(8) . ?
C46' C47' 1.373(9) . ?
C47' C48' 1.372(9) . ?
C48' C49' 1.370(8) . ?
C49' C50' 1.378(8) . ?
C51 C60 1.373(8) . ?
C51 C52 1.374(8) . ?
C52 C53 1.369(8) . ?
C53 C54 1.384(8) . ?
C54 C55 1.371(8) . ?
C55 C60 1.365(7) . ?
C55 C56 1.369(8) . ?
C56 C57 1.367(8) . ?
C57 C58 1.371(8) . ?
C58 C59 1.369(8) . ?
C59 C60 1.391(8) . ?
C51' C60' 1.372(9) . ?
C51' C52' 1.374(9) . ?
C52' C53' 1.371(9) . ?
C53' C54' 1.373(9) . ?
C54' C55' 1.374(9) . ?
C55' C60' 1.366(8) . ?
C55' C56' 1.372(9) . ?
C56' C57' 1.372(9) . ?
C57' C58' 1.371(9) . ?
C58' C59' 1.373(9) . ?
C59' C60' 1.374(9) . ?
C61 C62 1.36(3) . ?
C63 C64 1.39(2) . ?
C64 C65 1.45(2) . ?
C67 C68 1.48(2) . ?
C68 C69 1.372(8) . ?
C68 C73 1.375(8) . ?
C69 C70 1.376(8) . ?
C70 C71 1.374(8) . ?
C71 C72 1.362(8) . ?
C72 C73 1.381(8) . ?
