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#$Date: 2025-04-05 05:35:02 +0300 (Sat, 05 Apr 2025) $
#$Revision: 298840 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/99/7249973.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_7249973
loop_
_publ_author_name
'Kopotkov, Vyacheslav A.'
'Zorina, Leokadiya V.'
'Simonov, Sergey V.'
'Korchagin, Denis V.'
'Zhidkov, Mikhail V.'
'Dmitriev, Alexei I.'
'Mahmoudi, Ghodrat'
'Yagubskii, Eduard B.'
_publ_section_title
;
 Mononuclear complexes of dysprosium(iii) with 2,6-diacetylpyridine
 bis(isonicotinoylhydrazone): synthesis, crystal structure, and magnetic
 properties
;
_journal_issue                   13
_journal_name_full               CrystEngComm
_journal_page_first              2012
_journal_page_last               2024
_journal_paper_doi               10.1039/D5CE00066A
_journal_volume                  27
_journal_year                    2025
_chemical_formula_moiety
'C75 H63 Dy N7 O5 P3, 2(Cl O4), C2 H6 O, 1.9(H2 O)'
_chemical_formula_sum            'C77 H72.8 Cl2 Dy N7 O15.9 P3'
_chemical_formula_weight         1676.93
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-12-24 deposited with the CCDC.	2025-02-19 downloaded from the CCDC.
;
_cell_angle_alpha                99.0853(8)
_cell_angle_beta                 94.0652(8)
_cell_angle_gamma                91.2834(8)
_cell_formula_units_Z            4
_cell_length_a                   13.80326(14)
_cell_length_b                   17.08518(16)
_cell_length_c                   31.8500(3)
_cell_measurement_reflns_used    44032
_cell_measurement_temperature    150(1)
_cell_measurement_theta_max      31.1890
_cell_measurement_theta_min      2.1170
_cell_volume                     7394.03(13)
_computing_cell_refinement       'CrysAlisPro 1.171.41.122a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.122a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.122a (Rigaku OD, 2021)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150(1)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4566
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, AtlasS2, Gemini'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0251
_diffrn_reflns_av_unetI/netI     0.0362
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            82579
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        27.100
_diffrn_reflns_theta_max         27.103
_diffrn_reflns_theta_min         1.626
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.221
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.84637
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.67a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.506
_exptl_crystal_description       prism
_exptl_crystal_F_000             3424
_exptl_crystal_size_max          0.440
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.080
_refine_diff_density_max         2.016
_refine_diff_density_min         -1.322
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1999
_refine_ls_number_reflns         32555
_refine_ls_number_restraints     127
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0521
_refine_ls_R_factor_gt           0.0411
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0364P)²+24.7527P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0964
_refine_ls_wR_factor_ref         0.1030
_reflns_Friedel_coverage         0.000
_reflns_number_gt                27209
_reflns_number_total             32555
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5ce00066a2.cif
_cod_data_source_block           Dypyr2
_cod_depositor_comments
'Adding full bibliography for 7249970--7249973.cif.'
_cod_original_cell_volume        7394.02(12)
_cod_original_formula_sum        'C77 H72.80 Cl2 Dy N7 O15.90 P3'
_cod_database_code               7249973
_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   0.616
_shelx_estimated_absorpt_t_max   0.909
_oxdiff_exptl_absorpt_empirical_full_min 0.823
_oxdiff_exptl_absorpt_empirical_full_max 1.243
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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 0.68320(2) 0.17143(2) 0.42339(2) 0.01165(4) Uani 1 1 d . . . . .
P1 P 0.41856(6) 0.20467(5) 0.39668(3) 0.01607(17) Uani 1 1 d . . . . .
P2 P 0.89739(6) 0.05285(5) 0.38264(3) 0.01479(16) Uani 1 1 d . . . . .
P3 P 0.86677(6) 0.32125(5) 0.47722(3) 0.01731(17) Uani 1 1 d . . . . .
N1 N 0.6545(2) 0.12396(17) 0.52160(9) 0.0189(6) Uani 1 1 d . . . . .
N2 N 0.6496(2) 0.08738(16) 0.47916(9) 0.0153(5) Uani 1 1 d . . . . .
N3 N 0.62156(19) 0.02993(15) 0.39788(9) 0.0136(5) Uani 1 1 d . . . . .
N4 N 0.64558(19) 0.13265(15) 0.34585(9) 0.0144(5) Uani 1 1 d . . . . .
N5 N 0.6571(2) 0.18893(16) 0.31940(9) 0.0164(6) Uani 1 1 d . . . . .
N6 N 0.6330(3) 0.3349(2) 0.64482(11) 0.0389(9) Uani 1 1 d . . . . .
H6N H 0.629033 0.362987 0.670271 0.047 Uiso 1 1 calc R U . . .
N7 N 0.7392(3) 0.44824(18) 0.27432(11) 0.0313(8) Uani 1 1 d . . . . .
O1 O 0.63884(17) 0.23793(13) 0.49072(7) 0.0189(5) Uani 1 1 d . . . . .
O2 O 0.71039(17) 0.26934(13) 0.38309(7) 0.0169(5) Uani 1 1 d . . . . .
O3 O 0.52331(16) 0.19685(14) 0.41115(7) 0.0181(5) Uani 1 1 d . . . . .
O4 O 0.81876(16) 0.10343(13) 0.40142(8) 0.0177(5) Uani 1 1 d . . . . .
O5 O 0.81654(17) 0.24234(13) 0.46177(8) 0.0190(5) Uani 1 1 d . . . . .
C1 C 0.6631(3) 0.2146(2) 0.60260(12) 0.0311(9) Uani 1 1 d . . . . .
H1 H 0.679670 0.160547 0.600339 0.037 Uiso 1 1 calc R U . . .
C2 C 0.6577(3) 0.2595(3) 0.64194(13) 0.0348(9) Uani 1 1 d . . . . .
H2 H 0.671587 0.236938 0.667025 0.042 Uiso 1 1 calc R U . . .
C3 C 0.6140(4) 0.3695(3) 0.61060(14) 0.0438(12) Uani 1 1 d . . . . .
H3 H 0.596287 0.423445 0.613982 0.053 Uiso 1 1 calc R U . . .
C4 C 0.6201(3) 0.3272(2) 0.57026(13) 0.0344(10) Uani 1 1 d . . . . .
H4 H 0.607848 0.351919 0.545785 0.041 Uiso 1 1 calc R U . . .
C5 C 0.6442(2) 0.2482(2) 0.56595(11) 0.0205(7) Uani 1 1 d . . . . .
C6 C 0.6470(2) 0.2012(2) 0.52225(11) 0.0166(7) Uani 1 1 d . . . . .
C7 C 0.6111(3) -0.0386(2) 0.50452(11) 0.0206(7) Uani 1 1 d . . . . .
H7A H 0.613647 -0.005462 0.532694 0.031 Uiso 1 1 calc R U . . .
H7B H 0.662392 -0.077374 0.504123 0.031 Uiso 1 1 calc R U . . .
H7C H 0.547613 -0.066411 0.498477 0.031 Uiso 1 1 calc R U . . .
C8 C 0.6260(2) 0.01278(19) 0.47130(11) 0.0157(6) Uani 1 1 d . . . . .
C9 C 0.6092(2) -0.02108(18) 0.42563(11) 0.0150(6) Uani 1 1 d . . . . .
C10 C 0.5780(3) -0.0995(2) 0.41197(12) 0.0225(7) Uani 1 1 d . . . . .
H10 H 0.569159 -0.134252 0.432008 0.027 Uiso 1 1 calc R U . . .
C11 C 0.5601(3) -0.1260(2) 0.36890(12) 0.0250(8) Uani 1 1 d . . . . .
H11 H 0.539232 -0.179459 0.358874 0.030 Uiso 1 1 calc R U . . .
C12 C 0.5727(3) -0.07409(19) 0.34044(12) 0.0205(7) Uani 1 1 d . . . . .
H12 H 0.560079 -0.091174 0.310651 0.025 Uiso 1 1 calc R U . . .
C13 C 0.6043(2) 0.00357(18) 0.35611(11) 0.0150(6) Uani 1 1 d . . . . .
C14 C 0.6196(2) 0.06184(19) 0.32712(11) 0.0158(6) Uani 1 1 d . . . . .
C15 C 0.6069(3) 0.0376(2) 0.28022(11) 0.0245(8) Uani 1 1 d . . . . .
H15A H 0.594651 0.084461 0.266630 0.037 Uiso 1 1 calc R U . . .
H15B H 0.551635 -0.000279 0.272997 0.037 Uiso 1 1 calc R U . . .
H15C H 0.665957 0.012775 0.270015 0.037 Uiso 1 1 calc R U . . .
C16 C 0.6899(2) 0.25634(18) 0.34285(10) 0.0145(6) Uani 1 1 d . . . . .
C17 C 0.7059(3) 0.32296(19) 0.31834(11) 0.0179(7) Uani 1 1 d . . . . .
C18 C 0.7686(3) 0.3862(2) 0.33576(13) 0.0284(8) Uani 1 1 d . . . . .
H18 H 0.801292 0.387730 0.363174 0.034 Uiso 1 1 calc R U . . .
C19 C 0.7828(3) 0.4468(2) 0.31264(14) 0.0346(10) Uani 1 1 d . . . . .
H19 H 0.826111 0.489776 0.324803 0.042 Uiso 1 1 calc R U . . .
C20 C 0.6793(3) 0.3872(2) 0.25759(12) 0.0293(9) Uani 1 1 d . . . . .
H20 H 0.648273 0.387264 0.230004 0.035 Uiso 1 1 calc R U . . .
C21 C 0.6600(3) 0.3238(2) 0.27813(12) 0.0246(8) Uani 1 1 d . . . . .
H21 H 0.616280 0.281757 0.265106 0.029 Uiso 1 1 calc R U . . .
C22 C 0.4050(3) 0.2847(2) 0.36691(12) 0.0246(8) Uani 1 1 d . . . . .
C23 C 0.4776(3) 0.3440(2) 0.37323(15) 0.0335(10) Uani 1 1 d . . . . .
H23 H 0.532629 0.340432 0.392447 0.040 Uiso 1 1 calc R U . . .
C24 C 0.4702(4) 0.4082(3) 0.35166(18) 0.0496(14) Uani 1 1 d . . . . .
H24 H 0.520363 0.448177 0.355603 0.060 Uiso 1 1 calc R U . . .
C25 C 0.3891(5) 0.4134(3) 0.32434(17) 0.0549(15) Uani 1 1 d . . . . .
H25 H 0.383547 0.457627 0.309697 0.066 Uiso 1 1 calc R U . . .
C26 C 0.3159(4) 0.3552(3) 0.31803(17) 0.0550(15) Uani 1 1 d . . . . .
H26 H 0.260410 0.359649 0.299234 0.066 Uiso 1 1 calc R U . . .
C27 C 0.3235(3) 0.2900(3) 0.33919(14) 0.0380(10) Uani 1 1 d . . . . .
H27 H 0.273659 0.249682 0.334790 0.046 Uiso 1 1 calc R U . . .
C28 C 0.3669(2) 0.1162(2) 0.36391(11) 0.0196(7) Uani 1 1 d . . . . .
C29 C 0.3861(3) 0.1002(2) 0.32131(12) 0.0256(8) Uani 1 1 d . . . . .
H29 H 0.421111 0.138282 0.309021 0.031 Uiso 1 1 calc R U . . .
C30 C 0.3545(3) 0.0292(3) 0.29669(13) 0.0312(9) Uani 1 1 d . . . . .
H30 H 0.367588 0.018722 0.267492 0.037 Uiso 1 1 calc R U . . .
C31 C 0.3039(3) -0.0270(2) 0.31423(14) 0.0311(9) Uani 1 1 d . . . . .
H31 H 0.282978 -0.075984 0.297195 0.037 Uiso 1 1 calc R U . . .
C32 C 0.2838(3) -0.0116(2) 0.35657(13) 0.0266(8) Uani 1 1 d . . . . .
H32 H 0.248623 -0.049920 0.368601 0.032 Uiso 1 1 calc R U . . .
C33 C 0.3149(3) 0.0598(2) 0.38155(12) 0.0224(7) Uani 1 1 d . . . . .
H33 H 0.300781 0.070369 0.410630 0.027 Uiso 1 1 calc R U . . .
C34 C 0.3512(2) 0.2275(2) 0.44296(11) 0.0195(7) Uani 1 1 d . . . . .
C35 C 0.2501(3) 0.2287(2) 0.44085(13) 0.0283(8) Uani 1 1 d . . . . .
H35 H 0.213216 0.216175 0.414174 0.034 Uiso 1 1 calc R U . . .
C36 C 0.2038(3) 0.2485(3) 0.47816(14) 0.0353(10) Uani 1 1 d . . . . .
H36 H 0.134875 0.248958 0.476971 0.042 Uiso 1 1 calc R U . . .
C37 C 0.2567(3) 0.2673(2) 0.51689(13) 0.0319(9) Uani 1 1 d . . . . .
H37 H 0.224179 0.280615 0.542236 0.038 Uiso 1 1 calc R U . . .
C38 C 0.3568(3) 0.2670(2) 0.51895(13) 0.0294(8) Uani 1 1 d . . . . .
H38 H 0.393173 0.280283 0.545708 0.035 Uiso 1 1 calc R U . . .
C39 C 0.4046(3) 0.2473(2) 0.48210(12) 0.0221(7) Uani 1 1 d . . . . .
H39 H 0.473570 0.247320 0.483537 0.027 Uiso 1 1 calc R U . . .
C40 C 0.8530(2) -0.04402(19) 0.35803(11) 0.0174(7) Uani 1 1 d . . . . .
C41 C 0.8265(3) -0.0997(2) 0.38333(12) 0.0215(7) Uani 1 1 d . . . . .
H41 H 0.835499 -0.087194 0.413516 0.026 Uiso 1 1 calc R U . . .
C42 C 0.7873(3) -0.1729(2) 0.36435(13) 0.0264(8) Uani 1 1 d . . . . .
H42 H 0.768425 -0.210459 0.381526 0.032 Uiso 1 1 calc R U . . .
C43 C 0.7754(3) -0.1917(2) 0.32039(14) 0.0320(9) Uani 1 1 d . . . . .
H43 H 0.749698 -0.242532 0.307478 0.038 Uiso 1 1 calc R U . . .
C44 C 0.8007(3) -0.1371(2) 0.29529(14) 0.0358(10) Uani 1 1 d . . . . .
H44 H 0.791576 -0.149922 0.265118 0.043 Uiso 1 1 calc R U . . .
C45 C 0.8395(3) -0.0631(2) 0.31410(12) 0.0272(8) Uani 1 1 d . . . . .
H45 H 0.857027 -0.025499 0.296722 0.033 Uiso 1 1 calc R U . . .
C46 C 0.9550(2) 0.09690(19) 0.34244(11) 0.0180(7) Uani 1 1 d . . . . .
C47 C 0.9005(3) 0.1449(2) 0.31866(13) 0.0262(8) Uani 1 1 d . . . . .
H47 H 0.834712 0.154513 0.324084 0.031 Uiso 1 1 calc R U . . .
C48 C 0.9426(3) 0.1783(3) 0.28717(13) 0.0330(9) Uani 1 1 d . . . . .
H48 H 0.905376 0.210880 0.271059 0.040 Uiso 1 1 calc R U . . .
C49 C 1.0377(3) 0.1649(2) 0.27905(12) 0.0307(9) Uani 1 1 d . . . . .
H49 H 1.066127 0.188433 0.257550 0.037 Uiso 1 1 calc R U . . .
C50 C 1.0921(3) 0.1172(2) 0.30210(13) 0.0279(8) Uani 1 1 d . . . . .
H50 H 1.157784 0.107745 0.296388 0.033 Uiso 1 1 calc R U . . .
C51 C 1.0505(3) 0.0829(2) 0.33379(12) 0.0236(8) Uani 1 1 d . . . . .
H51 H 1.087941 0.049780 0.349498 0.028 Uiso 1 1 calc R U . . .
C52 C 0.9893(2) 0.04049(19) 0.42357(11) 0.0169(7) Uani 1 1 d . . . . .
C53 C 1.0562(3) -0.0202(2) 0.41786(13) 0.0235(8) Uani 1 1 d . . . . .
H53 H 1.052899 -0.056753 0.391992 0.028 Uiso 1 1 calc R U . . .
C54 C 1.1266(3) -0.0265(2) 0.44990(13) 0.0284(9) Uani 1 1 d . . . . .
H54 H 1.172334 -0.067304 0.446141 0.034 Uiso 1 1 calc R U . . .
C55 C 1.1307(3) 0.0272(2) 0.48787(13) 0.0276(8) Uani 1 1 d . . . . .
H55 H 1.178873 0.022326 0.510043 0.033 Uiso 1 1 calc R U . . .
C56 C 1.0655(3) 0.0874(2) 0.49360(12) 0.0256(8) Uani 1 1 d . . . . .
H56 H 1.069407 0.124183 0.519403 0.031 Uiso 1 1 calc R U . . .
C57 C 0.9940(2) 0.0938(2) 0.46146(11) 0.0197(7) Uani 1 1 d . . . . .
H57 H 0.948484 0.134741 0.465393 0.024 Uiso 1 1 calc R U . . .
C58 C 0.7876(3) 0.40160(19) 0.49206(12) 0.0221(7) Uani 1 1 d . . . . .
C59 C 0.7963(4) 0.4467(3) 0.53246(15) 0.0450(12) Uani 1 1 d . . . . .
H59 H 0.844423 0.434748 0.553135 0.054 Uiso 1 1 calc R U . . .
C60 C 0.7351(4) 0.5091(3) 0.54289(18) 0.0557(15) Uani 1 1 d . . . . .
H60 H 0.741033 0.539364 0.570723 0.067 Uiso 1 1 calc R U . . .
C61 C 0.6661(4) 0.5272(2) 0.51314(16) 0.0434(12) Uani 1 1 d . . . . .
H61 H 0.624710 0.570179 0.520262 0.052 Uiso 1 1 calc R U . . .
C62 C 0.6568(3) 0.4828(3) 0.47271(15) 0.0402(11) Uani 1 1 d . . . . .
H62 H 0.608788 0.495228 0.452131 0.048 Uiso 1 1 calc R U . . .
C63 C 0.7172(3) 0.4201(2) 0.46216(13) 0.0300(9) Uani 1 1 d . . . . .
H63 H 0.710445 0.389742 0.434368 0.036 Uiso 1 1 calc R U . . .
C64 C 0.9451(3) 0.3155(2) 0.52390(11) 0.0197(7) Uani 1 1 d . . . . .
C65 C 1.0285(3) 0.3641(2) 0.53506(13) 0.0254(8) Uani 1 1 d . . . . .
H65 H 1.049139 0.397977 0.516208 0.030 Uiso 1 1 calc R U . . .
C66 C 1.0814(3) 0.3630(2) 0.57370(14) 0.0322(9) Uani 1 1 d . . . . .
H66 H 1.137801 0.396489 0.581398 0.039 Uiso 1 1 calc R U . . .
C67 C 1.0523(3) 0.3139(3) 0.60061(14) 0.0377(10) Uani 1 1 d . . . . .
H67 H 1.088284 0.313951 0.627176 0.045 Uiso 1 1 calc R U . . .
C68 C 0.9710(3) 0.2639(3) 0.58967(14) 0.0383(10) Uani 1 1 d . . . . .
H68 H 0.951772 0.229148 0.608341 0.046 Uiso 1 1 calc R U . . .
C69 C 0.9180(3) 0.2650(2) 0.55125(13) 0.0287(8) Uani 1 1 d . . . . .
H69 H 0.862267 0.230744 0.543568 0.034 Uiso 1 1 calc R U . . .
C70 C 0.9392(3) 0.34908(19) 0.43719(11) 0.0199(7) Uani 1 1 d . . . . .
C71 C 0.9817(3) 0.2888(2) 0.41074(12) 0.0282(8) Uani 1 1 d . . . . .
H71 H 0.971007 0.235164 0.414148 0.034 Uiso 1 1 calc R U . . .
C72 C 1.0392(3) 0.3065(2) 0.37965(13) 0.0307(9) Uani 1 1 d . . . . .
H72 H 1.068858 0.265005 0.362116 0.037 Uiso 1 1 calc R U . . .
C73 C 1.0541(3) 0.3842(2) 0.37379(13) 0.0313(9) Uani 1 1 d . . . . .
H73 H 1.094128 0.396049 0.352386 0.038 Uiso 1 1 calc R U . . .
C74 C 1.0108(3) 0.4445(2) 0.39904(15) 0.0357(10) Uani 1 1 d . . . . .
H74 H 1.019762 0.497756 0.394608 0.043 Uiso 1 1 calc R U . . .
C75 C 0.9540(3) 0.4274(2) 0.43100(13) 0.0294(9) Uani 1 1 d . . . . .
H75 H 0.925113 0.469123 0.448680 0.035 Uiso 1 1 calc R U . . .
Dy2 Dy 0.82923(2) 0.83465(2) 0.07458(2) 0.01190(4) Uani 1 1 d . . . . .
P4 P 1.08850(6) 0.78641(5) 0.10063(3) 0.01491(16) Uani 1 1 d . . . . .
P5 P 0.61351(6) 0.95069(5) 0.11628(3) 0.01385(16) Uani 1 1 d . . . . .
P6 P 0.64771(6) 0.68401(5) 0.02052(3) 0.01619(17) Uani 1 1 d . . . . .
N8 N 0.8641(2) 0.81782(16) 0.17902(9) 0.0173(6) Uani 1 1 d . . . . .
N9 N 0.8727(2) 0.87466(15) 0.15235(9) 0.0145(5) Uani 1 1 d . . . . .
N10 N 0.88942(19) 0.97775(15) 0.10030(9) 0.0141(5) Uani 1 1 d . . . . .
N11 N 0.8514(2) 0.92235(16) 0.01932(9) 0.0166(6) Uani 1 1 d . . . . .
N12 N 0.8438(2) 0.88672(17) -0.02332(9) 0.0198(6) Uani 1 1 d . . . . .
N13 N 0.7695(3) 0.57121(19) 0.22936(11) 0.0333(8) Uani 1 1 d . . . . .
H13N H 0.757193 0.533754 0.244485 0.040 Uiso 1 1 calc R U . . .
N14 N 0.8772(3) 0.6833(2) -0.15058(12) 0.0378(9) Uani 1 1 d . . . . .
O6 O 0.79844(17) 0.73820(13) 0.11675(7) 0.0164(5) Uani 1 1 d . . . . .
O7 O 0.87431(17) 0.77389(14) 0.00648(7) 0.0197(5) Uani 1 1 d . . . . .
O8 O 0.98572(16) 0.80012(14) 0.08576(7) 0.0179(5) Uani 1 1 d . . . . .
O9 O 0.69435(16) 0.90273(13) 0.09767(7) 0.0168(5) Uani 1 1 d . . . . .
O10 O 0.69731(17) 0.76265(13) 0.03715(8) 0.0186(5) Uani 1 1 d . . . . .
C81 C 0.8628(3) 0.6842(2) 0.22062(12) 0.0283(8) Uani 1 1 d . . . . .
H81 H 0.913750 0.722278 0.230762 0.034 Uiso 1 1 calc R U . . .
C82 C 0.8409(3) 0.6248(2) 0.24336(13) 0.0347(10) Uani 1 1 d . . . . .
H82 H 0.877298 0.621908 0.269497 0.042 Uiso 1 1 calc R U . . .
C83 C 0.7165(3) 0.5731(2) 0.19304(14) 0.0322(9) Uani 1 1 d . . . . .
H83 H 0.665563 0.534546 0.184011 0.039 Uiso 1 1 calc R U . . .
C84 C 0.7347(3) 0.6305(2) 0.16832(12) 0.0244(8) Uani 1 1 d . . . . .
H84 H 0.697306 0.631102 0.142155 0.029 Uiso 1 1 calc R U . . .
C85 C 0.8082(3) 0.68711(19) 0.18221(11) 0.0196(7) Uani 1 1 d . . . . .
C86 C 0.8259(2) 0.75147(19) 0.15643(11) 0.0161(6) Uani 1 1 d . . . . .
C87 C 0.9147(3) 0.9698(2) 0.21799(11) 0.0244(8) Uani 1 1 d . . . . .
H87A H 0.856510 0.994975 0.229010 0.037 Uiso 1 1 calc R U . . .
H87B H 0.970250 1.007593 0.224364 0.037 Uiso 1 1 calc R U . . .
H87C H 0.927977 0.923117 0.231537 0.037 Uiso 1 1 calc R U . . .
C88 C 0.8984(2) 0.94512(18) 0.17092(10) 0.0154(6) Uani 1 1 d . . . . .
C89 C 0.9074(2) 1.00417(18) 0.14220(11) 0.0151(6) Uani 1 1 d . . . . .
C90 C 0.9324(3) 1.08417(19) 0.15764(12) 0.0210(7) Uani 1 1 d . . . . .
H90 H 0.945885 1.101729 0.187341 0.025 Uiso 1 1 calc R U . . .
C91 C 0.9370(3) 1.1367(2) 0.12936(12) 0.0238(8) Uani 1 1 d . . . . .
H91 H 0.952704 1.191152 0.139317 0.029 Uiso 1 1 calc R U . . .
C92 C 0.9186(3) 1.10964(19) 0.08641(12) 0.0213(7) Uani 1 1 d . . . . .
H92 H 0.922395 1.145148 0.066399 0.026 Uiso 1 1 calc R U . . .
C93 C 0.8944(2) 1.03013(19) 0.07266(11) 0.0157(6) Uani 1 1 d . . . . .
C94 C 0.8754(2) 0.99681(19) 0.02722(11) 0.0163(7) Uani 1 1 d . . . . .
C95 C 0.8903(3) 1.0482(2) -0.00582(12) 0.0219(7) Uani 1 1 d . . . . .
H95A H 0.884579 1.015538 -0.034153 0.033 Uiso 1 1 calc R U . . .
H95B H 0.955159 1.073898 -0.000538 0.033 Uiso 1 1 calc R U . . .
H95C H 0.841032 1.088704 -0.004424 0.033 Uiso 1 1 calc R U . . .
C96 C 0.8585(2) 0.8104(2) -0.02481(11) 0.0172(7) Uani 1 1 d . . . . .
C97 C 0.8615(2) 0.7652(2) -0.06892(11) 0.0213(7) Uani 1 1 d . . . . .
C98 C 0.9012(3) 0.6917(2) -0.07476(13) 0.0299(9) Uani 1 1 d . . . . .
H98 H 0.922674 0.667536 -0.051011 0.036 Uiso 1 1 calc R U . . .
C99 C 0.9094(3) 0.6533(3) -0.11626(15) 0.0399(11) Uani 1 1 d . . . . .
H99 H 0.939218 0.603338 -0.120258 0.048 Uiso 1 1 calc R U . . .
C100 C 0.8367(3) 0.7535(3) -0.14466(13) 0.0342(9) Uani 1 1 d . . . . .
H100 H 0.812465 0.774970 -0.168925 0.041 Uiso 1 1 calc R U . . .
C101 C 0.8284(3) 0.7965(2) -0.10481(12) 0.0282(8) Uani 1 1 d . . . . .
H101 H 0.800287 0.847124 -0.101860 0.034 Uiso 1 1 calc R U . . .
C102 C 1.1425(2) 0.86962(19) 0.13641(11) 0.0184(7) Uani 1 1 d . . . . .
C103 C 1.1934(3) 0.9296(2) 0.12140(12) 0.0219(7) Uani 1 1 d . . . . .
H103 H 1.206991 0.923547 0.092258 0.026 Uiso 1 1 calc R U . . .
C104 C 1.2243(3) 0.9981(2) 0.14901(14) 0.0295(9) Uani 1 1 d . . . . .
H104 H 1.258400 1.039195 0.138717 0.035 Uiso 1 1 calc R U . . .
C105 C 1.2053(3) 1.0065(2) 0.19184(14) 0.0325(9) Uani 1 1 d . . . . .
H105 H 1.226462 1.053398 0.210764 0.039 Uiso 1 1 calc R U . . .
C106 C 1.1558(3) 0.9467(2) 0.20680(13) 0.0300(9) Uani 1 1 d . . . . .
H106 H 1.143835 0.952272 0.236114 0.036 Uiso 1 1 calc R U . . .
C107 C 1.1237(3) 0.8788(2) 0.17945(12) 0.0241(8) Uani 1 1 d . . . . .
H107 H 1.088717 0.838238 0.189855 0.029 Uiso 1 1 calc R U . . .
C108 C 1.0940(2) 0.7020(2) 0.12770(11) 0.0192(7) Uani 1 1 d . . . . .
C109 C 1.1727(3) 0.6899(2) 0.15540(14) 0.0315(9) Uani 1 1 d . . . . .
H109 H 1.225695 0.727351 0.161137 0.038 Uiso 1 1 calc R U . . .
C110 C 1.1730(4) 0.6226(3) 0.17453(15) 0.0429(11) Uani 1 1 d . . . . .
H110 H 1.226714 0.613965 0.193381 0.051 Uiso 1 1 calc R U . . .
C111 C 1.0963(4) 0.5679(2) 0.16662(14) 0.0382(10) Uani 1 1 d . . . . .
H111 H 1.096953 0.522340 0.180317 0.046 Uiso 1 1 calc R U . . .
C112 C 1.0188(3) 0.5794(2) 0.13879(14) 0.0327(9) Uani 1 1 d . . . . .
H112 H 0.966373 0.541305 0.133002 0.039 Uiso 1 1 calc R U . . .
C113 C 1.0171(3) 0.6463(2) 0.11924(13) 0.0250(8) Uani 1 1 d . . . . .
H113 H 0.963556 0.654137 0.100093 0.030 Uiso 1 1 calc R U . . .
C114 C 1.1588(2) 0.76440(19) 0.05523(11) 0.0191(7) Uani 1 1 d . . . . .
C115 C 1.2596(3) 0.7612(2) 0.05873(13) 0.0296(8) Uani 1 1 d . . . . .
H115 H 1.294840 0.774277 0.085762 0.035 Uiso 1 1 calc R U . . .
C116 C 1.3079(3) 0.7387(3) 0.02244(15) 0.0380(10) Uani 1 1 d . . . . .
H116 H 1.376762 0.736843 0.024608 0.046 Uiso 1 1 calc R U . . .
C117 C 1.2573(3) 0.7187(3) -0.01699(14) 0.0364(10) Uani 1 1 d . . . . .
H117 H 1.291458 0.703367 -0.041667 0.044 Uiso 1 1 calc R U . . .
C118 C 1.1570(3) 0.7212(2) -0.02060(13) 0.0289(8) Uani 1 1 d . . . . .
H118 H 1.122138 0.707116 -0.047663 0.035 Uiso 1 1 calc R U . . .
C119 C 1.1074(3) 0.7443(2) 0.01560(12) 0.0215(7) Uani 1 1 d . . . . .
H119 H 1.038518 0.746347 0.013296 0.026 Uiso 1 1 calc R U . . .
C120 C 0.6526(2) 1.04930(18) 0.13978(11) 0.0164(7) Uani 1 1 d . . . . .
C121 C 0.6725(3) 1.1057(2) 0.11392(12) 0.0211(7) Uani 1 1 d . . . . .
H121 H 0.662291 1.092170 0.083805 0.025 Uiso 1 1 calc R U . . .
C122 C 0.7068(3) 1.1809(2) 0.13193(13) 0.0253(8) Uani 1 1 d . . . . .
H122 H 0.720441 1.218924 0.114208 0.030 Uiso 1 1 calc R U . . .
C123 C 0.7214(3) 1.2008(2) 0.17588(13) 0.0275(8) Uani 1 1 d . . . . .
H123 H 0.744478 1.252700 0.188266 0.033 Uiso 1 1 calc R U . . .
C124 C 0.7026(3) 1.1458(2) 0.20146(14) 0.0343(10) Uani 1 1 d . . . . .
H124 H 0.712823 1.159672 0.231556 0.041 Uiso 1 1 calc R U . . .
C125 C 0.6687(3) 1.0698(2) 0.18367(12) 0.0281(8) Uani 1 1 d . . . . .
H125 H 0.656434 1.031741 0.201597 0.034 Uiso 1 1 calc R U . . .
C126 C 0.5617(2) 0.90559(18) 0.15750(11) 0.0169(7) Uani 1 1 d . . . . .
C127 C 0.6213(3) 0.8606(2) 0.18074(12) 0.0240(8) Uani 1 1 d . . . . .
H127 H 0.687231 0.854200 0.174597 0.029 Uiso 1 1 calc R U . . .
C128 C 0.5845(3) 0.8252(2) 0.21290(13) 0.0309(9) Uani 1 1 d . . . . .
H128 H 0.625388 0.794684 0.228825 0.037 Uiso 1 1 calc R U . . .
C129 C 0.4886(3) 0.8343(2) 0.22164(12) 0.0300(9) Uani 1 1 d . . . . .
H129 H 0.463406 0.809703 0.243513 0.036 Uiso 1 1 calc R U . . .
C130 C 0.4290(3) 0.8790(2) 0.19875(13) 0.0278(8) Uani 1 1 d . . . . .
H130 H 0.362964 0.884921 0.204880 0.033 Uiso 1 1 calc R U . . .
C131 C 0.4653(3) 0.9150(2) 0.16691(12) 0.0232(7) Uani 1 1 d . . . . .
H131 H 0.424444 0.946265 0.151455 0.028 Uiso 1 1 calc R U . . .
C132 C 0.5182(2) 0.95846(19) 0.07603(11) 0.0163(6) Uani 1 1 d . . . . .
C133 C 0.4472(2) 1.0159(2) 0.08229(12) 0.0204(7) Uani 1 1 d . . . . .
H133 H 0.449539 1.052895 0.107994 0.025 Uiso 1 1 calc R U . . .
C134 C 0.3739(3) 1.0180(2) 0.05059(13) 0.0250(8) Uani 1 1 d . . . . .
H134 H 0.325173 1.056310 0.054552 0.030 Uiso 1 1 calc R U . . .
C135 C 0.3713(3) 0.9642(2) 0.01306(13) 0.0267(8) Uani 1 1 d . . . . .
H135 H 0.320872 0.966207 -0.008604 0.032 Uiso 1 1 calc R U . . .
C136 C 0.4412(3) 0.9077(2) 0.00668(12) 0.0236(8) Uani 1 1 d . . . . .
H136 H 0.438689 0.871122 -0.019193 0.028 Uiso 1 1 calc R U . . .
C137 C 0.5149(2) 0.9045(2) 0.03825(11) 0.0182(7) Uani 1 1 d . . . . .
H137 H 0.563016 0.865723 0.034112 0.022 Uiso 1 1 calc R U . . .
C138 C 0.5733(3) 0.65538(19) 0.05975(11) 0.0199(7) Uani 1 1 d . . . . .
C139 C 0.5397(3) 0.7152(2) 0.08912(12) 0.0242(8) Uani 1 1 d . . . . .
H139 H 0.558866 0.768774 0.088633 0.029 Uiso 1 1 calc R U . . .
C140 C 0.4784(3) 0.6977(2) 0.11921(12) 0.0270(8) Uani 1 1 d . . . . .
H140 H 0.455453 0.739285 0.139117 0.032 Uiso 1 1 calc R U . . .
C141 C 0.4507(3) 0.6201(2) 0.12031(16) 0.0403(11) Uani 1 1 d . . . . .
H141 H 0.408676 0.607934 0.140931 0.048 Uiso 1 1 calc R U . . .
C142 C 0.4844(4) 0.5601(3) 0.0912(2) 0.0625(18) Uani 1 1 d . . . . .
H142 H 0.465205 0.506619 0.091828 0.075 Uiso 1 1 calc R U . . .
C143 C 0.5459(4) 0.5773(2) 0.06120(17) 0.0462(13) Uani 1 1 d . . . . .
H143 H 0.569409 0.535574 0.041570 0.055 Uiso 1 1 calc R U . . .
C144 C 0.7270(3) 0.60404(19) 0.00563(12) 0.0203(7) Uani 1 1 d . . . . .
C145 C 0.7868(3) 0.5767(2) 0.03677(13) 0.0292(9) Uani 1 1 d . . . . .
H145 H 0.785110 0.600265 0.065786 0.035 Uiso 1 1 calc R U . . .
C146 C 0.8485(3) 0.5157(3) 0.02589(14) 0.0384(10) Uani 1 1 d . . . . .
H146 H 0.888705 0.497305 0.047505 0.046 Uiso 1 1 calc R U . . .
C147 C 0.8524(3) 0.4810(2) -0.01610(15) 0.0379(10) Uani 1 1 d . . . . .
H147 H 0.894985 0.438936 -0.023391 0.045 Uiso 1 1 calc R U . . .
C148 C 0.7941(4) 0.5078(3) -0.04734(15) 0.0425(11) Uani 1 1 d . . . . .
H148 H 0.796366 0.484038 -0.076290 0.051 Uiso 1 1 calc R U . . .
C149 C 0.7321(3) 0.5696(2) -0.03667(13) 0.0349(10) Uani 1 1 d . . . . .
H149 H 0.692861 0.588415 -0.058452 0.042 Uiso 1 1 calc R U . . .
C150 C 0.5713(3) 0.6911(2) -0.02669(11) 0.0207(7) Uani 1 1 d . . . . .
C151 C 0.4925(3) 0.6387(2) -0.04021(13) 0.0280(8) Uani 1 1 d . . . . .
H151 H 0.473084 0.602125 -0.022598 0.034 Uiso 1 1 calc R U . . .
C152 C 0.4424(3) 0.6400(3) -0.07943(14) 0.0361(10) Uani 1 1 d . . . . .
H152 H 0.389053 0.603861 -0.088784 0.043 Uiso 1 1 calc R U . . .
C153 C 0.4697(3) 0.6933(3) -0.10462(14) 0.0398(11) Uani 1 1 d . . . . .
H153 H 0.435872 0.693354 -0.131657 0.048 Uiso 1 1 calc R U . . .
C154 C 0.5462(3) 0.7470(3) -0.09095(14) 0.0376(10) Uani 1 1 d . . . . .
H154 H 0.563939 0.784617 -0.108306 0.045 Uiso 1 1 calc R U . . .
C155 C 0.5973(3) 0.7460(2) -0.05177(12) 0.0271(8) Uani 1 1 d . . . . .
H155 H 0.649830 0.782846 -0.042304 0.033 Uiso 1 1 calc R U . . .
Cl1 Cl 0.64162(8) 0.61816(6) 0.35652(3) 0.0354(2) Uani 1 1 d D . . . .
O11 O 0.5678(3) 0.5721(2) 0.32960(12) 0.0602(10) Uani 1 1 d D . . . .
O12 O 0.7254(3) 0.6276(2) 0.33399(14) 0.0657(12) Uani 1 1 d D . . . .
O13 O 0.6060(3) 0.69347(18) 0.37358(12) 0.0520(9) Uani 1 1 d D . . . .
O14 O 0.6690(3) 0.5760(2) 0.39113(13) 0.0710(12) Uani 1 1 d D . . . .
Cl2 Cl 0.83143(9) 0.39806(6) 0.14586(4) 0.0415(3) Uani 1 1 d . . . . .
O15 O 0.7371(2) 0.38910(19) 0.16111(11) 0.0470(8) Uani 1 1 d . . . . .
O16 O 0.8677(3) 0.3221(2) 0.13080(15) 0.0684(12) Uani 1 1 d . . . . .
O17 O 0.8235(4) 0.4418(3) 0.11127(13) 0.0845(16) Uani 1 1 d . . . . .
O18 O 0.8959(3) 0.4412(2) 0.17920(13) 0.0592(10) Uani 1 1 d . . . . .
Cl3 Cl 0.40028(8) 0.16979(7) 0.20746(4) 0.0419(3) Uani 1 1 d . . . . .
O19 O 0.4363(3) 0.0943(2) 0.21563(14) 0.0615(10) Uani 1 1 d . . . . .
O20 O 0.3701(3) 0.1614(2) 0.16387(11) 0.0531(9) Uani 1 1 d . . . . .
O21 O 0.4746(3) 0.2282(3) 0.2175(2) 0.0992(17) Uani 1 1 d . U . . .
O22 O 0.3166(3) 0.1911(2) 0.23095(13) 0.0694(12) Uani 1 1 d . . . . .
O33 O 0.3103(3) 0.7570(3) 0.25593(14) 0.0501(11) Uani 0.8 1 d . . P A 1
Cl4 Cl 0.08266(10) 0.81401(8) 0.30183(4) 0.0308(3) Uani 0.8 1 d . . P B 1
O23 O -0.0008(3) 0.7655(3) 0.30912(15) 0.0574(12) Uani 0.8 1 d . U P B 1
O24 O 0.1510(3) 0.8162(3) 0.33602(13) 0.0531(11) Uani 0.8 1 d . U P B 1
O25 O 0.0568(3) 0.8953(3) 0.30117(17) 0.0567(11) Uani 0.8 1 d . U P B 1
O26 O 0.1083(3) 0.7837(3) 0.26201(15) 0.0529(10) Uani 0.8 1 d . U P B 1
O26A O 0.1950(11) 0.7901(10) 0.2755(5) 0.041(2) Uani 0.2 1 d D U P C 2
H26A H 0.209170 0.742169 0.269971 0.061 Uiso 0.2 1 calc R U P C 2
C158 C 0.1122(17) 0.796(2) 0.2947(10) 0.0468(17) Uani 0.2 1 d D U P C 2
H15I H 0.124094 0.820057 0.324984 0.056 Uiso 0.2 1 calc R U P C 2
H15J H 0.080324 0.742711 0.293164 0.056 Uiso 0.2 1 calc R U P C 2
C159 C 0.0506(17) 0.8472(16) 0.2706(9) 0.051(2) Uani 0.2 1 d D U P C 2
H15K H -0.012157 0.853957 0.283127 0.077 Uiso 0.2 1 calc R U P C 2
H15L H 0.083547 0.899132 0.272346 0.077 Uiso 0.2 1 calc R U P C 2
H15M H 0.040046 0.822262 0.240722 0.077 Uiso 0.2 1 calc R U P C 2
O27 O 0.4489(3) 0.3852(2) 0.21078(15) 0.0697(12) Uani 1 1 d D . . . .
H27A H 0.461610 0.341355 0.218285 0.105 Uiso 1 1 calc R U . . .
C78 C 0.3544(4) 0.3814(3) 0.1913(2) 0.0583(15) Uani 1 1 d D . . . .
H78A H 0.306931 0.388968 0.213410 0.070 Uiso 1 1 calc R U . . .
H78B H 0.340830 0.328638 0.173717 0.070 Uiso 1 1 calc R U . . .
C79 C 0.3442(4) 0.4436(3) 0.1643(2) 0.0582(14) Uani 1 1 d D . . . .
H79A H 0.356833 0.495754 0.181960 0.087 Uiso 1 1 calc R U . . .
H79B H 0.278090 0.440863 0.150642 0.087 Uiso 1 1 calc R U . . .
H79C H 0.390964 0.435653 0.142401 0.087 Uiso 1 1 calc R U . . .
O28 O 0.1908(5) 0.5218(3) 0.2644(2) 0.0738(15) Uani 0.8 1 d . U P D 1
H28 H 0.159669 0.480879 0.252072 0.111 Uiso 0.8 1 calc R U P D 1
C156 C 0.1230(8) 0.5826(5) 0.2791(3) 0.0813(17) Uani 0.8 1 d . U P D 1
H15D H 0.071388 0.584486 0.256062 0.098 Uiso 0.8 1 calc R U P D 1
H15E H 0.157969 0.634895 0.284788 0.098 Uiso 0.8 1 calc R U P D 1
C157 C 0.0765(9) 0.5688(6) 0.3187(3) 0.097(2) Uani 0.8 1 d . U P D 1
H15F H 0.046431 0.515353 0.314174 0.145 Uiso 0.8 1 calc R U P D 1
H15G H 0.026628 0.608015 0.325102 0.145 Uiso 0.8 1 calc R U P D 1
H15H H 0.126050 0.574116 0.342674 0.145 Uiso 0.8 1 calc R U P D 1
O34 O 0.0832(6) 0.3897(3) 0.22909(16) 0.085(2) Uani 0.8 1 d . . P E 2
Cl5A Cl 0.1345(6) 0.5513(5) 0.3082(3) 0.071(2) Uani 0.2 1 d D . P F 2
O29A O 0.0337(13) 0.5198(14) 0.2993(8) 0.091(3) Uani 0.2 1 d D U P F 2
O30A O 0.1731(18) 0.5478(14) 0.3495(6) 0.093(4) Uani 0.2 1 d D U P F 2
O31A O 0.1433(19) 0.6325(10) 0.3047(8) 0.091(3) Uani 0.2 1 d D U P F 2
O32A O 0.184(2) 0.4972(15) 0.2782(7) 0.082(3) Uani 0.2 1 d D U P F 2
O34A O 0.0411(16) 0.3580(12) 0.2448(7) 0.063(5) Uani 0.2 1 d . . P E 2
O35 O 0.5217(3) 0.5340(2) 0.24137(12) 0.0532(9) Uani 1 1 d . . . . .
O36 O 0.3602(3) 0.6006(2) 0.27200(11) 0.0555(10) Uani 1 1 d . . . . .
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'
Cl Cl 0.1484 0.1585 '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'
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'
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
O3 Dy1 O2 84.77(8) . . ?
O3 Dy1 O4 148.91(8) . . ?
O2 Dy1 O4 92.85(8) . . ?
O3 Dy1 O5 134.60(8) . . ?
O2 Dy1 O5 77.92(8) . . ?
O4 Dy1 O5 74.31(8) . . ?
O3 Dy1 O1 76.05(8) . . ?
O2 Dy1 O1 106.00(8) . . ?
O4 Dy1 O1 133.71(8) . . ?
O5 Dy1 O1 69.19(8) . . ?
O3 Dy1 N4 74.30(9) . . ?
O2 Dy1 N4 64.71(8) . . ?
O4 Dy1 N4 76.69(8) . . ?
O5 Dy1 N4 130.78(9) . . ?
O1 Dy1 N4 149.57(8) . . ?
O3 Dy1 N2 93.04(9) . . ?
O2 Dy1 N2 168.51(8) . . ?
O4 Dy1 N2 94.79(8) . . ?
O5 Dy1 N2 95.90(9) . . ?
O1 Dy1 N2 62.57(8) . . ?
N4 Dy1 N2 125.53(9) . . ?
O3 Dy1 N3 82.13(8) . . ?
O2 Dy1 N3 128.08(8) . . ?
O4 Dy1 N3 75.05(8) . . ?
O5 Dy1 N3 140.42(8) . . ?
O1 Dy1 N3 118.84(8) . . ?
N4 Dy1 N3 63.37(9) . . ?
N2 Dy1 N3 62.47(9) . . ?
O3 P1 C22 110.76(16) . . ?
O3 P1 C34 108.43(15) . . ?
C22 P1 C34 107.48(16) . . ?
O3 P1 C28 112.78(15) . . ?
C22 P1 C28 107.92(18) . . ?
C34 P1 C28 109.34(17) . . ?
O4 P2 C40 112.59(14) . . ?
O4 P2 C52 110.00(15) . . ?
C40 P2 C52 107.48(16) . . ?
O4 P2 C46 111.73(14) . . ?
C40 P2 C46 106.95(16) . . ?
C52 P2 C46 107.87(16) . . ?
O5 P3 C70 110.35(15) . . ?
O5 P3 C64 109.56(15) . . ?
C70 P3 C64 108.35(17) . . ?
O5 P3 C58 115.16(16) . . ?
C70 P3 C58 107.21(16) . . ?
C64 P3 C58 105.94(17) . . ?
C6 N1 N2 108.0(3) . . ?
C8 N2 N1 117.2(3) . . ?
C8 N2 Dy1 124.7(2) . . ?
N1 N2 Dy1 118.07(19) . . ?
C13 N3 C9 118.8(3) . . ?
C13 N3 Dy1 119.9(2) . . ?
C9 N3 Dy1 121.3(2) . . ?
C14 N4 N5 116.1(3) . . ?
C14 N4 Dy1 124.8(2) . . ?
N5 N4 Dy1 118.94(19) . . ?
C16 N5 N4 108.9(3) . . ?
C2 N6 C3 122.4(4) . . ?
C2 N6 H6N 118.8 . . ?
C3 N6 H6N 118.8 . . ?
C19 N7 C20 117.5(3) . . ?
C6 O1 Dy1 118.0(2) . . ?
C16 O2 Dy1 120.3(2) . . ?
P1 O3 Dy1 171.01(15) . . ?
P2 O4 Dy1 172.26(15) . . ?
P3 O5 Dy1 147.72(14) . . ?
C2 C1 C5 120.0(4) . . ?
C2 C1 H1 120.0 . . ?
C5 C1 H1 120.0 . . ?
N6 C2 C1 119.6(4) . . ?
N6 C2 H2 120.2 . . ?
C1 C2 H2 120.2 . . ?
N6 C3 C4 120.2(4) . . ?
N6 C3 H3 119.9 . . ?
C4 C3 H3 119.9 . . ?
C3 C4 C5 119.1(4) . . ?
C3 C4 H4 120.5 . . ?
C5 C4 H4 120.5 . . ?
C4 C5 C1 118.7(3) . . ?
C4 C5 C6 119.3(3) . . ?
C1 C5 C6 122.0(3) . . ?
O1 C6 N1 127.7(3) . . ?
O1 C6 C5 118.0(3) . . ?
N1 C6 C5 114.2(3) . . ?
C8 C7 H7A 109.5 . . ?
C8 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C8 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N2 C8 C9 115.2(3) . . ?
N2 C8 C7 124.9(3) . . ?
C9 C8 C7 119.8(3) . . ?
N3 C9 C10 121.8(3) . . ?
N3 C9 C8 115.8(3) . . ?
C10 C9 C8 122.2(3) . . ?
C11 C10 C9 119.0(3) . . ?
C11 C10 H10 120.5 . . ?
C9 C10 H10 120.5 . . ?
C10 C11 C12 119.4(3) . . ?
C10 C11 H11 120.3 . . ?
C12 C11 H11 120.3 . . ?
C11 C12 C13 118.9(3) . . ?
C11 C12 H12 120.6 . . ?
C13 C12 H12 120.6 . . ?
N3 C13 C12 122.1(3) . . ?
N3 C13 C14 116.5(3) . . ?
C12 C13 C14 121.4(3) . . ?
N4 C14 C13 115.1(3) . . ?
N4 C14 C15 124.2(3) . . ?
C13 C14 C15 120.7(3) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O2 C16 N5 127.1(3) . . ?
O2 C16 C17 118.1(3) . . ?
N5 C16 C17 114.8(3) . . ?
C18 C17 C21 118.1(3) . . ?
C18 C17 C16 119.8(3) . . ?
C21 C17 C16 122.1(3) . . ?
C19 C18 C17 119.0(4) . . ?
C19 C18 H18 120.5 . . ?
C17 C18 H18 120.5 . . ?
N7 C19 C18 123.4(4) . . ?
N7 C19 H19 118.3 . . ?
C18 C19 H19 118.3 . . ?
N7 C20 C21 123.6(4) . . ?
N7 C20 H20 118.2 . . ?
C21 C20 H20 118.2 . . ?
C20 C21 C17 118.4(4) . . ?
C20 C21 H21 120.8 . . ?
C17 C21 H21 120.8 . . ?
C23 C22 C27 120.1(4) . . ?
C23 C22 P1 117.7(3) . . ?
C27 C22 P1 122.1(3) . . ?
C24 C23 C22 120.3(4) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C25 C24 C23 119.4(5) . . ?
C25 C24 H24 120.3 . . ?
C23 C24 H24 120.3 . . ?
C24 C25 C26 120.9(4) . . ?
C24 C25 H25 119.6 . . ?
C26 C25 H25 119.6 . . ?
C25 C26 C27 120.0(5) . . ?
C25 C26 H26 120.0 . . ?
C27 C26 H26 120.0 . . ?
C26 C27 C22 119.3(5) . . ?
C26 C27 H27 120.4 . . ?
C22 C27 H27 120.4 . . ?
C29 C28 C33 119.3(3) . . ?
C29 C28 P1 119.5(3) . . ?
C33 C28 P1 120.9(3) . . ?
C30 C29 C28 120.2(4) . . ?
C30 C29 H29 119.9 . . ?
C28 C29 H29 119.9 . . ?
C29 C30 C31 120.5(4) . . ?
C29 C30 H30 119.7 . . ?
C31 C30 H30 119.7 . . ?
C32 C31 C30 119.9(4) . . ?
C32 C31 H31 120.1 . . ?
C30 C31 H31 120.1 . . ?
C31 C32 C33 120.1(4) . . ?
C31 C32 H32 120.0 . . ?
C33 C32 H32 120.0 . . ?
C32 C33 C28 120.0(4) . . ?
C32 C33 H33 120.0 . . ?
C28 C33 H33 120.0 . . ?
C39 C34 C35 120.0(3) . . ?
C39 C34 P1 117.0(3) . . ?
C35 C34 P1 123.0(3) . . ?
C36 C35 C34 119.2(4) . . ?
C36 C35 H35 120.4 . . ?
C34 C35 H35 120.4 . . ?
C37 C36 C35 120.8(4) . . ?
C37 C36 H36 119.6 . . ?
C35 C36 H36 119.6 . . ?
C36 C37 C38 120.1(4) . . ?
C36 C37 H37 120.0 . . ?
C38 C37 H37 120.0 . . ?
C37 C38 C39 120.2(4) . . ?
C37 C38 H38 119.9 . . ?
C39 C38 H38 119.9 . . ?
C38 C39 C34 119.8(3) . . ?
C38 C39 H39 120.1 . . ?
C34 C39 H39 120.1 . . ?
C45 C40 C41 119.4(3) . . ?
C45 C40 P2 120.6(3) . . ?
C41 C40 P2 119.9(3) . . ?
C42 C41 C40 119.9(3) . . ?
C42 C41 H41 120.1 . . ?
C40 C41 H41 120.1 . . ?
C41 C42 C43 120.2(4) . . ?
C41 C42 H42 119.9 . . ?
C43 C42 H42 119.9 . . ?
C44 C43 C42 120.3(4) . . ?
C44 C43 H43 119.9 . . ?
C42 C43 H43 119.9 . . ?
C43 C44 C45 119.9(4) . . ?
C43 C44 H44 120.0 . . ?
C45 C44 H44 120.0 . . ?
C40 C45 C44 120.3(4) . . ?
C40 C45 H45 119.8 . . ?
C44 C45 H45 119.8 . . ?
C51 C46 C47 119.2(3) . . ?
C51 C46 P2 121.9(3) . . ?
C47 C46 P2 118.9(3) . . ?
C48 C47 C46 120.0(4) . . ?
C48 C47 H47 120.0 . . ?
C46 C47 H47 120.0 . . ?
C49 C48 C47 120.6(4) . . ?
C49 C48 H48 119.7 . . ?
C47 C48 H48 119.7 . . ?
C48 C49 C50 120.0(4) . . ?
C48 C49 H49 120.0 . . ?
C50 C49 H49 120.0 . . ?
C49 C50 C51 120.0(4) . . ?
C49 C50 H50 120.0 . . ?
C51 C50 H50 120.0 . . ?
C46 C51 C50 120.2(3) . . ?
C46 C51 H51 119.9 . . ?
C50 C51 H51 119.9 . . ?
C57 C52 C53 120.0(3) . . ?
C57 C52 P2 118.2(2) . . ?
C53 C52 P2 121.8(3) . . ?
C54 C53 C52 119.8(4) . . ?
C54 C53 H53 120.1 . . ?
C52 C53 H53 120.1 . . ?
C53 C54 C55 119.8(3) . . ?
C53 C54 H54 120.1 . . ?
C55 C54 H54 120.1 . . ?
C56 C55 C54 120.7(3) . . ?
C56 C55 H55 119.6 . . ?
C54 C55 H55 119.6 . . ?
C55 C56 C57 119.7(4) . . ?
C55 C56 H56 120.2 . . ?
C57 C56 H56 120.2 . . ?
C56 C57 C52 120.0(3) . . ?
C56 C57 H57 120.0 . . ?
C52 C57 H57 120.0 . . ?
C59 C58 C63 119.0(3) . . ?
C59 C58 P3 121.6(3) . . ?
C63 C58 P3 119.4(3) . . ?
C58 C59 C60 120.4(4) . . ?
C58 C59 H59 119.8 . . ?
C60 C59 H59 119.8 . . ?
C61 C60 C59 120.2(5) . . ?
C61 C60 H60 119.9 . . ?
C59 C60 H60 119.9 . . ?
C60 C61 C62 120.0(4) . . ?
C60 C61 H61 120.0 . . ?
C62 C61 H61 120.0 . . ?
C61 C62 C63 120.2(4) . . ?
C61 C62 H62 119.9 . . ?
C63 C62 H62 119.9 . . ?
C62 C63 C58 120.2(4) . . ?
C62 C63 H63 119.9 . . ?
C58 C63 H63 119.9 . . ?
C69 C64 C65 119.0(3) . . ?
C69 C64 P3 118.5(3) . . ?
C65 C64 P3 122.3(3) . . ?
C66 C65 C64 120.0(4) . . ?
C66 C65 H65 120.0 . . ?
C64 C65 H65 120.0 . . ?
C67 C66 C65 120.0(4) . . ?
C67 C66 H66 120.0 . . ?
C65 C66 H66 120.0 . . ?
C66 C67 C68 120.8(4) . . ?
C66 C67 H67 119.6 . . ?
C68 C67 H67 119.6 . . ?
C69 C68 C67 119.3(4) . . ?
C69 C68 H68 120.4 . . ?
C67 C68 H68 120.4 . . ?
C64 C69 C68 120.8(4) . . ?
C64 C69 H69 119.6 . . ?
C68 C69 H69 119.6 . . ?
C71 C70 C75 118.9(3) . . ?
C71 C70 P3 117.7(3) . . ?
C75 C70 P3 123.4(3) . . ?
C72 C71 C70 120.5(3) . . ?
C72 C71 H71 119.8 . . ?
C70 C71 H71 119.8 . . ?
C71 C72 C73 120.5(4) . . ?
C71 C72 H72 119.8 . . ?
C73 C72 H72 119.8 . . ?
C74 C73 C72 119.9(4) . . ?
C74 C73 H73 120.1 . . ?
C72 C73 H73 120.1 . . ?
C73 C74 C75 120.1(4) . . ?
C73 C74 H74 120.0 . . ?
C75 C74 H74 120.0 . . ?
C74 C75 C70 120.2(4) . . ?
C74 C75 H75 119.9 . . ?
C70 C75 H75 119.9 . . ?
O8 Dy2 O10 130.36(8) . . ?
O8 Dy2 O9 150.61(8) . . ?
O10 Dy2 O9 75.16(8) . . ?
O8 Dy2 O6 83.18(8) . . ?
O10 Dy2 O6 77.09(8) . . ?
O9 Dy2 O6 90.54(8) . . ?
O8 Dy2 O7 74.84(8) . . ?
O10 Dy2 O7 70.33(8) . . ?
O9 Dy2 O7 133.72(8) . . ?
O6 Dy2 O7 110.22(8) . . ?
O8 Dy2 N9 74.10(8) . . ?
O10 Dy2 N9 131.98(9) . . ?
O9 Dy2 N9 77.27(8) . . ?
O6 Dy2 N9 64.62(8) . . ?
O7 Dy2 N9 148.91(8) . . ?
O8 Dy2 N11 99.13(8) . . ?
O10 Dy2 N11 94.85(9) . . ?
O9 Dy2 N11 91.62(8) . . ?
O6 Dy2 N11 170.82(9) . . ?
O7 Dy2 N11 62.28(8) . . ?
N9 Dy2 N11 124.56(9) . . ?
O8 Dy2 N10 86.75(8) . . ?
O10 Dy2 N10 140.65(8) . . ?
O9 Dy2 N10 74.22(8) . . ?
O6 Dy2 N10 127.01(8) . . ?
O7 Dy2 N10 116.87(8) . . ?
N9 Dy2 N10 62.57(8) . . ?
N11 Dy2 N10 62.13(9) . . ?
O8 P4 C102 112.37(15) . . ?
O8 P4 C108 110.70(15) . . ?
C102 P4 C108 107.69(16) . . ?
O8 P4 C114 109.20(15) . . ?
C102 P4 C114 109.93(16) . . ?
C108 P4 C114 106.79(16) . . ?
O9 P5 C120 112.76(14) . . ?
O9 P5 C132 110.74(15) . . ?
C120 P5 C132 107.31(15) . . ?
O9 P5 C126 111.10(14) . . ?
C120 P5 C126 106.85(15) . . ?
C132 P5 C126 107.84(16) . . ?
O10 P6 C138 109.78(15) . . ?
O10 P6 C144 115.41(15) . . ?
C138 P6 C144 107.49(16) . . ?
O10 P6 C150 109.70(15) . . ?
C138 P6 C150 108.45(17) . . ?
C144 P6 C150 105.75(16) . . ?
C86 N8 N9 109.2(3) . . ?
C88 N9 N8 116.0(3) . . ?
C88 N9 Dy2 125.5(2) . . ?
N8 N9 Dy2 118.46(19) . . ?
C89 N10 C93 118.8(3) . . ?
C89 N10 Dy2 120.0(2) . . ?
C93 N10 Dy2 120.9(2) . . ?
C94 N11 N12 116.9(3) . . ?
C94 N11 Dy2 125.4(2) . . ?
N12 N11 Dy2 117.58(19) . . ?
C96 N12 N11 108.1(3) . . ?
C83 N13 C82 121.4(3) . . ?
C83 N13 H13N 119.3 . . ?
C82 N13 H13N 119.3 . . ?
C100 N14 C99 118.0(4) . . ?
C86 O6 Dy2 119.4(2) . . ?
C96 O7 Dy2 118.2(2) . . ?
P4 O8 Dy2 169.91(15) . . ?
P5 O9 Dy2 174.36(15) . . ?
P6 O10 Dy2 149.06(14) . . ?
C82 C81 C85 118.3(4) . . ?
C82 C81 H81 120.8 . . ?
C85 C81 H81 120.8 . . ?
N13 C82 C81 121.2(4) . . ?
N13 C82 H82 119.4 . . ?
C81 C82 H82 119.4 . . ?
N13 C83 C84 120.8(4) . . ?
N13 C83 H83 119.6 . . ?
C84 C83 H83 119.6 . . ?
C83 C84 C85 119.0(4) . . ?
C83 C84 H84 120.5 . . ?
C85 C84 H84 120.5 . . ?
C84 C85 C81 119.3(3) . . ?
C84 C85 C86 119.4(3) . . ?
C81 C85 C86 121.3(3) . . ?
O6 C86 N8 127.9(3) . . ?
O6 C86 C85 117.9(3) . . ?
N8 C86 C85 114.1(3) . . ?
C88 C87 H87A 109.5 . . ?
C88 C87 H87B 109.5 . . ?
H87A C87 H87B 109.5 . . ?
C88 C87 H87C 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
N9 C88 C89 115.1(3) . . ?
N9 C88 C87 124.8(3) . . ?
C89 C88 C87 120.1(3) . . ?
N10 C89 C90 121.4(3) . . ?
N10 C89 C88 116.5(3) . . ?
C90 C89 C88 122.0(3) . . ?
C91 C90 C89 119.2(3) . . ?
C91 C90 H90 120.4 . . ?
C89 C90 H90 120.4 . . ?
C90 C91 C92 119.4(3) . . ?
C90 C91 H91 120.3 . . ?
C92 C91 H91 120.3 . . ?
C91 C92 C93 119.3(3) . . ?
C91 C92 H92 120.3 . . ?
C93 C92 H92 120.3 . . ?
N10 C93 C92 121.8(3) . . ?
N10 C93 C94 115.8(3) . . ?
C92 C93 C94 122.3(3) . . ?
N11 C94 C93 115.3(3) . . ?
N11 C94 C95 125.0(3) . . ?
C93 C94 C95 119.5(3) . . ?
C94 C95 H95A 109.5 . . ?
C94 C95 H95B 109.5 . . ?
H95A C95 H95B 109.5 . . ?
C94 C95 H95C 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
O7 C96 N12 127.1(3) . . ?
O7 C96 C97 118.4(3) . . ?
N12 C96 C97 114.4(3) . . ?
C98 C97 C101 118.2(3) . . ?
C98 C97 C96 119.8(3) . . ?
C101 C97 C96 122.0(3) . . ?
C97 C98 C99 118.6(4) . . ?
C97 C98 H98 120.7 . . ?
C99 C98 H98 120.7 . . ?
N14 C99 C98 123.0(4) . . ?
N14 C99 H99 118.5 . . ?
C98 C99 H99 118.5 . . ?
N14 C100 C101 122.7(4) . . ?
N14 C100 H100 118.6 . . ?
C101 C100 H100 118.6 . . ?
C100 C101 C97 119.4(4) . . ?
C100 C101 H101 120.3 . . ?
C97 C101 H101 120.3 . . ?
C103 C102 C107 119.6(3) . . ?
C103 C102 P4 121.1(3) . . ?
C107 C102 P4 118.9(3) . . ?
C104 C103 C102 120.0(4) . . ?
C104 C103 H103 120.0 . . ?
C102 C103 H103 120.0 . . ?
C103 C104 C105 120.0(4) . . ?
C103 C104 H104 120.0 . . ?
C105 C104 H104 120.0 . . ?
C106 C105 C104 120.0(4) . . ?
C106 C105 H105 120.0 . . ?
C104 C105 H105 120.0 . . ?
C107 C106 C105 120.4(4) . . ?
C107 C106 H106 119.8 . . ?
C105 C106 H106 119.8 . . ?
C106 C107 C102 120.0(4) . . ?
C106 C107 H107 120.0 . . ?
C102 C107 H107 120.0 . . ?
C109 C108 C113 119.8(3) . . ?
C109 C108 P4 122.4(3) . . ?
C113 C108 P4 117.7(3) . . ?
C110 C109 C108 119.3(4) . . ?
C110 C109 H109 120.3 . . ?
C108 C109 H109 120.3 . . ?
C111 C110 C109 120.9(4) . . ?
C111 C110 H110 119.5 . . ?
C109 C110 H110 119.5 . . ?
C112 C111 C110 119.8(4) . . ?
C112 C111 H111 120.1 . . ?
C110 C111 H111 120.1 . . ?
C111 C112 C113 120.2(4) . . ?
C111 C112 H112 119.9 . . ?
C113 C112 H112 119.9 . . ?
C112 C113 C108 119.9(4) . . ?
C112 C113 H113 120.0 . . ?
C108 C113 H113 120.0 . . ?
C115 C114 C119 120.2(3) . . ?
C115 C114 P4 122.8(3) . . ?
C119 C114 P4 116.9(3) . . ?
C116 C115 C114 119.2(4) . . ?
C116 C115 H115 120.4 . . ?
C114 C115 H115 120.4 . . ?
C115 C116 C117 120.9(4) . . ?
C115 C116 H116 119.6 . . ?
C117 C116 H116 119.6 . . ?
C116 C117 C118 120.2(4) . . ?
C116 C117 H117 119.9 . . ?
C118 C117 H117 119.9 . . ?
C117 C118 C119 119.6(4) . . ?
C117 C118 H118 120.2 . . ?
C119 C118 H118 120.2 . . ?
C118 C119 C114 119.9(3) . . ?
C118 C119 H119 120.0 . . ?
C114 C119 H119 120.0 . . ?
C125 C120 C121 119.1(3) . . ?
C125 C120 P5 120.7(3) . . ?
C121 C120 P5 120.1(3) . . ?
C122 C121 C120 120.3(3) . . ?
C122 C121 H121 119.8 . . ?
C120 C121 H121 119.8 . . ?
C121 C122 C123 120.0(3) . . ?
C121 C122 H122 120.0 . . ?
C123 C122 H122 120.0 . . ?
C124 C123 C122 120.1(3) . . ?
C124 C123 H123 120.0 . . ?
C122 C123 H123 120.0 . . ?
C123 C124 C125 120.4(4) . . ?
C123 C124 H124 119.8 . . ?
C125 C124 H124 119.8 . . ?
C120 C125 C124 120.1(4) . . ?
C120 C125 H125 119.9 . . ?
C124 C125 H125 119.9 . . ?
C127 C126 C131 119.5(3) . . ?
C127 C126 P5 118.2(3) . . ?
C131 C126 P5 122.3(3) . . ?
C128 C127 C126 120.2(4) . . ?
C128 C127 H127 119.9 . . ?
C126 C127 H127 119.9 . . ?
C129 C128 C127 119.9(4) . . ?
C129 C128 H128 120.1 . . ?
C127 C128 H128 120.1 . . ?
C128 C129 C130 120.3(4) . . ?
C128 C129 H129 119.8 . . ?
C130 C129 H129 119.8 . . ?
C129 C130 C131 120.1(4) . . ?
C129 C130 H130 119.9 . . ?
C131 C130 H130 119.9 . . ?
C130 C131 C126 120.1(3) . . ?
C130 C131 H131 120.0 . . ?
C126 C131 H131 120.0 . . ?
C137 C132 C133 120.3(3) . . ?
C137 C132 P5 118.1(2) . . ?
C133 C132 P5 121.6(3) . . ?
C134 C133 C132 119.2(3) . . ?
C134 C133 H133 120.4 . . ?
C132 C133 H133 120.4 . . ?
C133 C134 C135 120.1(3) . . ?
C133 C134 H134 120.0 . . ?
C135 C134 H134 120.0 . . ?
C136 C135 C134 120.9(3) . . ?
C136 C135 H135 119.5 . . ?
C134 C135 H135 119.5 . . ?
C135 C136 C137 119.7(4) . . ?
C135 C136 H136 120.2 . . ?
C137 C136 H136 120.2 . . ?
C136 C137 C132 119.8(3) . . ?
C136 C137 H137 120.1 . . ?
C132 C137 H137 120.1 . . ?
C139 C138 C143 119.1(3) . . ?
C139 C138 P6 117.5(3) . . ?
C143 C138 P6 123.4(3) . . ?
C138 C139 C140 120.7(3) . . ?
C138 C139 H139 119.7 . . ?
C140 C139 H139 119.7 . . ?
C141 C140 C139 120.0(4) . . ?
C141 C140 H140 120.0 . . ?
C139 C140 H140 120.0 . . ?
C140 C141 C142 119.5(4) . . ?
C140 C141 H141 120.2 . . ?
C142 C141 H141 120.2 . . ?
C141 C142 C143 120.6(4) . . ?
C141 C142 H142 119.7 . . ?
C143 C142 H142 119.7 . . ?
C142 C143 C138 120.0(4) . . ?
C142 C143 H143 120.0 . . ?
C138 C143 H143 120.0 . . ?
C145 C144 C149 118.6(3) . . ?
C145 C144 P6 119.7(3) . . ?
C149 C144 P6 121.6(3) . . ?
C146 C145 C144 120.5(4) . . ?
C146 C145 H145 119.7 . . ?
C144 C145 H145 119.7 . . ?
C145 C146 C147 120.6(4) . . ?
C145 C146 H146 119.7 . . ?
C147 C146 H146 119.7 . . ?
C148 C147 C146 119.6(4) . . ?
C148 C147 H147 120.2 . . ?
C146 C147 H147 120.2 . . ?
C147 C148 C149 120.2(4) . . ?
C147 C148 H148 119.9 . . ?
C149 C148 H148 119.9 . . ?
C144 C149 C148 120.5(4) . . ?
C144 C149 H149 119.8 . . ?
C148 C149 H149 119.8 . . ?
C155 C150 C151 119.8(4) . . ?
C155 C150 P6 118.2(3) . . ?
C151 C150 P6 121.8(3) . . ?
C152 C151 C150 120.0(4) . . ?
C152 C151 H151 120.0 . . ?
C150 C151 H151 120.0 . . ?
C153 C152 C151 120.1(4) . . ?
C153 C152 H152 120.0 . . ?
C151 C152 H152 120.0 . . ?
C152 C153 C154 120.4(4) . . ?
C152 C153 H153 119.8 . . ?
C154 C153 H153 119.8 . . ?
C153 C154 C155 120.0(4) . . ?
C153 C154 H154 120.0 . . ?
C155 C154 H154 120.0 . . ?
C150 C155 C154 119.7(4) . . ?
C150 C155 H155 120.1 . . ?
C154 C155 H155 120.1 . . ?
O11 Cl1 O12 110.7(3) . . ?
O11 Cl1 O13 110.4(2) . . ?
O12 Cl1 O13 110.8(2) . . ?
O11 Cl1 O14 108.0(2) . . ?
O12 Cl1 O14 108.0(3) . . ?
O13 Cl1 O14 109.0(2) . . ?
O16 Cl2 O17 108.4(3) . . ?
O16 Cl2 O18 111.1(3) . . ?
O17 Cl2 O18 108.5(2) . . ?
O16 Cl2 O15 109.9(2) . . ?
O17 Cl2 O15 109.1(3) . . ?
O18 Cl2 O15 109.8(2) . . ?
O21 Cl3 O20 109.8(3) . . ?
O21 Cl3 O22 111.2(3) . . ?
O20 Cl3 O22 107.3(2) . . ?
O21 Cl3 O19 109.7(3) . . ?
O20 Cl3 O19 107.6(2) . . ?
O22 Cl3 O19 111.2(3) . . ?
O26 Cl4 O24 118.5(3) . . ?
O26 Cl4 O25 107.3(3) . . ?
O24 Cl4 O25 105.9(3) . . ?
O26 Cl4 O23 105.7(3) . . ?
O24 Cl4 O23 108.2(2) . . ?
O25 Cl4 O23 111.3(3) . . ?
C158 O26A H26A 109.5 . . ?
O26A C158 C159 105.0(19) . . ?
O26A C158 H15I 110.7 . . ?
C159 C158 H15I 110.7 . . ?
O26A C158 H15J 110.7 . . ?
C159 C158 H15J 110.7 . . ?
H15I C158 H15J 108.8 . . ?
C158 C159 H15K 109.5 . . ?
C158 C159 H15L 109.5 . . ?
H15K C159 H15L 109.5 . . ?
C158 C159 H15M 109.5 . . ?
H15K C159 H15M 109.5 . . ?
H15L C159 H15M 109.5 . . ?
C78 O27 H27A 109.5 . . ?
O27 C78 C79 109.5(5) . . ?
O27 C78 H78A 109.8 . . ?
C79 C78 H78A 109.8 . . ?
O27 C78 H78B 109.8 . . ?
C79 C78 H78B 109.8 . . ?
H78A C78 H78B 108.2 . . ?
C78 C79 H79A 109.5 . . ?
C78 C79 H79B 109.5 . . ?
H79A C79 H79B 109.5 . . ?
C78 C79 H79C 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C156 O28 H28 109.5 . . ?
O28 C156 C157 113.4(8) . . ?
O28 C156 H15D 108.9 . . ?
C157 C156 H15D 108.9 . . ?
O28 C156 H15E 108.9 . . ?
C157 C156 H15E 108.9 . . ?
H15D C156 H15E 107.7 . . ?
C156 C157 H15F 109.5 . . ?
C156 C157 H15G 109.5 . . ?
H15F C157 H15G 109.5 . . ?
C156 C157 H15H 109.5 . . ?
H15F C157 H15H 109.5 . . ?
H15G C157 H15H 109.5 . . ?
O30A Cl5A O31A 104.1(15) . . ?
O30A Cl5A O32A 109.5(15) . . ?
O31A Cl5A O32A 116.4(15) . . ?
O30A Cl5A O29A 113.8(14) . . ?
O31A Cl5A O29A 112.5(14) . . ?
O32A Cl5A O29A 100.9(16) . . ?
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 O3 2.277(2) . ?
Dy1 O2 2.303(2) . ?
Dy1 O4 2.317(2) . ?
Dy1 O5 2.337(2) . ?
Dy1 O1 2.390(2) . ?
Dy1 N4 2.469(3) . ?
Dy1 N2 2.515(3) . ?
Dy1 N3 2.533(3) . ?
P1 O3 1.501(2) . ?
P1 C22 1.788(4) . ?
P1 C34 1.794(4) . ?
P1 C28 1.797(4) . ?
P2 O4 1.501(2) . ?
P2 C40 1.791(3) . ?
P2 C52 1.793(3) . ?
P2 C46 1.805(4) . ?
P3 O5 1.497(2) . ?
P3 C70 1.789(4) . ?
P3 C64 1.792(4) . ?
P3 C58 1.799(3) . ?
N1 C6 1.323(4) . ?
N1 N2 1.393(4) . ?
N2 C8 1.289(4) . ?
N3 C13 1.338(4) . ?
N3 C9 1.352(4) . ?
N4 C14 1.292(4) . ?
N4 N5 1.388(4) . ?
N5 C16 1.321(4) . ?
N6 C2 1.331(5) . ?
N6 C3 1.333(6) . ?
N6 H6N 0.8800 . ?
N7 C19 1.326(5) . ?
N7 C20 1.334(5) . ?
O1 C6 1.265(4) . ?
O2 C16 1.276(4) . ?
C1 C2 1.369(6) . ?
C1 C5 1.391(5) . ?
C1 H1 0.9500 . ?
C2 H2 0.9500 . ?
C3 C4 1.380(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.386(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.497(5) . ?
C7 C8 1.499(4) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.478(5) . ?
C9 C10 1.390(5) . ?
C10 C11 1.378(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.381(5) . ?
C11 H11 0.9500 . ?
C12 C13 1.391(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.482(4) . ?
C14 C15 1.483(5) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.499(4) . ?
C17 C18 1.387(5) . ?
C17 C21 1.391(5) . ?
C18 C19 1.381(5) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C21 1.381(5) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 C23 1.391(6) . ?
C22 C27 1.394(6) . ?
C23 C24 1.385(6) . ?
C23 H23 0.9500 . ?
C24 C25 1.381(8) . ?
C24 H24 0.9500 . ?
C25 C26 1.384(8) . ?
C25 H25 0.9500 . ?
C26 C27 1.391(6) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C28 C29 1.387(5) . ?
C28 C33 1.400(5) . ?
C29 C30 1.381(5) . ?
C29 H29 0.9500 . ?
C30 C31 1.383(6) . ?
C30 H30 0.9500 . ?
C31 C32 1.382(6) . ?
C31 H31 0.9500 . ?
C32 C33 1.388(5) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C34 C39 1.392(5) . ?
C34 C35 1.393(5) . ?
C35 C36 1.387(5) . ?
C35 H35 0.9500 . ?
C36 C37 1.376(6) . ?
C36 H36 0.9500 . ?
C37 C38 1.379(6) . ?
C37 H37 0.9500 . ?
C38 C39 1.386(5) . ?
C38 H38 0.9500 . ?
C39 H39 0.9500 . ?
C40 C45 1.384(5) . ?
C40 C41 1.399(5) . ?
C41 C42 1.381(5) . ?
C41 H41 0.9500 . ?
C42 C43 1.383(6) . ?
C42 H42 0.9500 . ?
C43 C44 1.376(6) . ?
C43 H43 0.9500 . ?
C44 C45 1.388(5) . ?
C44 H44 0.9500 . ?
C45 H45 0.9500 . ?
C46 C51 1.385(5) . ?
C46 C47 1.397(5) . ?
C47 C48 1.385(5) . ?
C47 H47 0.9500 . ?
C48 C49 1.373(6) . ?
C48 H48 0.9500 . ?
C49 C50 1.380(6) . ?
C49 H49 0.9500 . ?
C50 C51 1.395(5) . ?
C50 H50 0.9500 . ?
C51 H51 0.9500 . ?
C52 C57 1.390(5) . ?
C52 C53 1.402(5) . ?
C53 C54 1.378(5) . ?
C53 H53 0.9500 . ?
C54 C55 1.395(6) . ?
C54 H54 0.9500 . ?
C55 C56 1.381(5) . ?
C55 H55 0.9500 . ?
C56 C57 1.389(5) . ?
C56 H56 0.9500 . ?
C57 H57 0.9500 . ?
C58 C59 1.387(5) . ?
C58 C63 1.389(5) . ?
C59 C60 1.390(6) . ?
C59 H59 0.9500 . ?
C60 C61 1.370(7) . ?
C60 H60 0.9500 . ?
C61 C62 1.383(7) . ?
C61 H61 0.9500 . ?
C62 C63 1.386(5) . ?
C62 H62 0.9500 . ?
C63 H63 0.9500 . ?
C64 C69 1.383(5) . ?
C64 C65 1.395(5) . ?
C65 C66 1.389(5) . ?
C65 H65 0.9500 . ?
C66 C67 1.364(6) . ?
C66 H66 0.9500 . ?
C67 C68 1.386(7) . ?
C67 H67 0.9500 . ?
C68 C69 1.383(6) . ?
C68 H68 0.9500 . ?
C69 H69 0.9500 . ?
C70 C71 1.392(5) . ?
C70 C75 1.395(5) . ?
C71 C72 1.377(6) . ?
C71 H71 0.9500 . ?
C72 C73 1.383(5) . ?
C72 H72 0.9500 . ?
C73 C74 1.378(6) . ?
C73 H73 0.9500 . ?
C74 C75 1.391(6) . ?
C74 H74 0.9500 . ?
C75 H75 0.9500 . ?
Dy2 O8 2.270(2) . ?
Dy2 O10 2.319(2) . ?
Dy2 O9 2.320(2) . ?
Dy2 O6 2.334(2) . ?
Dy2 O7 2.383(2) . ?
Dy2 N9 2.490(3) . ?
Dy2 N11 2.515(3) . ?
Dy2 N10 2.553(3) . ?
P4 O8 1.499(2) . ?
P4 C102 1.788(3) . ?
P4 C108 1.793(3) . ?
P4 C114 1.793(4) . ?
P5 O9 1.500(2) . ?
P5 C120 1.787(3) . ?
P5 C132 1.793(3) . ?
P5 C126 1.805(3) . ?
P6 O10 1.496(2) . ?
P6 C138 1.791(4) . ?
P6 C144 1.796(3) . ?
P6 C150 1.796(4) . ?
N8 C86 1.320(4) . ?
N8 N9 1.396(4) . ?
N9 C88 1.285(4) . ?
N10 C89 1.343(4) . ?
N10 C93 1.355(4) . ?
N11 C94 1.288(4) . ?
N11 N12 1.393(4) . ?
N12 C96 1.317(4) . ?
N13 C83 1.329(5) . ?
N13 C82 1.332(6) . ?
N13 H13N 0.8800 . ?
N14 C100 1.327(6) . ?
N14 C99 1.332(6) . ?
O6 C86 1.277(4) . ?
O7 C96 1.266(4) . ?
C81 C82 1.377(5) . ?
C81 C85 1.399(5) . ?
C81 H81 0.9500 . ?
C82 H82 0.9500 . ?
C83 C84 1.380(5) . ?
C83 H83 0.9500 . ?
C84 C85 1.385(5) . ?
C84 H84 0.9500 . ?
C85 C86 1.498(4) . ?
C87 C88 1.491(5) . ?
C87 H87A 0.9800 . ?
C87 H87B 0.9800 . ?
C87 H87C 0.9800 . ?
C88 C89 1.474(4) . ?
C89 C90 1.404(4) . ?
C90 C91 1.371(5) . ?
C90 H90 0.9500 . ?
C91 C92 1.377(5) . ?
C91 H91 0.9500 . ?
C92 C93 1.385(5) . ?
C92 H92 0.9500 . ?
C93 C94 1.472(5) . ?
C94 C95 1.494(4) . ?
C95 H95A 0.9800 . ?
C95 H95B 0.9800 . ?
C95 H95C 0.9800 . ?
C96 C97 1.497(5) . ?
C97 C98 1.372(5) . ?
C97 C101 1.390(5) . ?
C98 C99 1.393(6) . ?
C98 H98 0.9500 . ?
C99 H99 0.9500 . ?
C100 C101 1.376(5) . ?
C100 H100 0.9500 . ?
C101 H101 0.9500 . ?
C102 C103 1.393(5) . ?
C102 C107 1.399(5) . ?
C103 C104 1.387(5) . ?
C103 H103 0.9500 . ?
C104 C105 1.393(6) . ?
C104 H104 0.9500 . ?
C105 C106 1.381(6) . ?
C105 H105 0.9500 . ?
C106 C107 1.380(5) . ?
C106 H106 0.9500 . ?
C107 H107 0.9500 . ?
C108 C109 1.391(5) . ?
C108 C113 1.393(5) . ?
C109 C110 1.383(6) . ?
C109 H109 0.9500 . ?
C110 C111 1.378(7) . ?
C110 H110 0.9500 . ?
C111 C112 1.378(6) . ?
C111 H111 0.9500 . ?
C112 C113 1.386(5) . ?
C112 H112 0.9500 . ?
C113 H113 0.9500 . ?
C114 C115 1.392(5) . ?
C114 C119 1.393(5) . ?
C115 C116 1.381(6) . ?
C115 H115 0.9500 . ?
C116 C117 1.382(6) . ?
C116 H116 0.9500 . ?
C117 C118 1.383(6) . ?
C117 H117 0.9500 . ?
C118 C119 1.391(5) . ?
C118 H118 0.9500 . ?
C119 H119 0.9500 . ?
C120 C125 1.387(5) . ?
C120 C121 1.397(5) . ?
C121 C122 1.380(5) . ?
C121 H121 0.9500 . ?
C122 C123 1.387(6) . ?
C122 H122 0.9500 . ?
C123 C124 1.370(5) . ?
C123 H123 0.9500 . ?
C124 C125 1.389(5) . ?
C124 H124 0.9500 . ?
C125 H125 0.9500 . ?
C126 C127 1.391(5) . ?
C126 C131 1.392(5) . ?
C127 C128 1.389(5) . ?
C127 H127 0.9500 . ?
C128 C129 1.379(6) . ?
C128 H128 0.9500 . ?
C129 C130 1.382(6) . ?
C129 H129 0.9500 . ?
C130 C131 1.384(5) . ?
C130 H130 0.9500 . ?
C131 H131 0.9500 . ?
C132 C137 1.393(5) . ?
C132 C133 1.404(4) . ?
C133 C134 1.383(5) . ?
C133 H133 0.9500 . ?
C134 C135 1.386(6) . ?
C134 H134 0.9500 . ?
C135 C136 1.383(5) . ?
C135 H135 0.9500 . ?
C136 C137 1.387(5) . ?
C136 H136 0.9500 . ?
C137 H137 0.9500 . ?
C138 C139 1.384(5) . ?
C138 C143 1.387(5) . ?
C139 C140 1.384(5) . ?
C139 H139 0.9500 . ?
C140 C141 1.379(5) . ?
C140 H140 0.9500 . ?
C141 C142 1.381(6) . ?
C141 H141 0.9500 . ?
C142 C143 1.383(6) . ?
C142 H142 0.9500 . ?
C143 H143 0.9500 . ?
C144 C145 1.389(5) . ?
C144 C149 1.390(5) . ?
C145 C146 1.379(5) . ?
C145 H145 0.9500 . ?
C146 C147 1.380(6) . ?
C146 H146 0.9500 . ?
C147 C148 1.376(6) . ?
C147 H147 0.9500 . ?
C148 C149 1.390(6) . ?
C148 H148 0.9500 . ?
C149 H149 0.9500 . ?
C150 C155 1.382(5) . ?
C150 C151 1.391(5) . ?
C151 C152 1.388(6) . ?
C151 H151 0.9500 . ?
C152 C153 1.368(7) . ?
C152 H152 0.9500 . ?
C153 C154 1.383(7) . ?
C153 H153 0.9500 . ?
C154 C155 1.392(6) . ?
C154 H154 0.9500 . ?
C155 H155 0.9500 . ?
Cl1 O11 1.421(3) . ?
Cl1 O12 1.423(4) . ?
Cl1 O13 1.427(3) . ?
Cl1 O14 1.442(4) . ?
Cl2 O16 1.425(4) . ?
Cl2 O17 1.425(4) . ?
Cl2 O18 1.432(4) . ?
Cl2 O15 1.435(3) . ?
Cl3 O21 1.400(4) . ?
Cl3 O20 1.405(4) . ?
Cl3 O22 1.442(4) . ?
Cl3 O19 1.447(4) . ?
Cl4 O26 1.366(5) . ?
Cl4 O24 1.385(4) . ?
Cl4 O25 1.444(5) . ?
Cl4 O23 1.457(4) . ?
O26A C158 1.332(18) . ?
O26A H26A 0.8400 . ?
C158 C159 1.495(19) . ?
C158 H15I 0.9900 . ?
C158 H15J 0.9900 . ?
C159 H15K 0.9800 . ?
C159 H15L 0.9800 . ?
C159 H15M 0.9800 . ?
O27 C78 1.399(6) . ?
O27 H27A 0.8400 . ?
C78 C79 1.472(7) . ?
C78 H78A 0.9900 . ?
C78 H78B 0.9900 . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?
O28 C156 1.458(10) . ?
O28 H28 0.8400 . ?
C156 C157 1.504(12) . ?
C156 H15D 0.9900 . ?
C156 H15E 0.9900 . ?
C157 H15F 0.9800 . ?
C157 H15G 0.9800 . ?
C157 H15H 0.9800 . ?
O34 O34A 1.00(2) . ?
Cl5A O30A 1.394(16) . ?
Cl5A O31A 1.413(15) . ?
Cl5A O32A 1.439(16) . ?
Cl5A O29A 1.472(16) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
N6 H6N O36 0.88 1.84 2.698(5) 164.4 2_666 yes
C21 H21 O21 0.95 2.45 3.325(6) 152.5 . yes
C20 H20 O15 0.95 2.59 3.233(5) 125.1 . yes
C15 H15A O19 0.98 2.65 3.280(5) 122.0 . yes
C11 H11 O13 0.95 2.48 3.187(5) 131.6 1_545 yes
C2 H2 O33^a 0.95 2.43 3.308(6) 152.9 2_666 yes
C2 H2 O26A^b 0.95 2.60 3.433(16) 146.0 2_666 yes
C24 H24 O11 0.95 2.48 3.277(6) 141.1 . yes
C30 H30 O19 0.95 2.48 3.232(6) 136.4 . yes
C31 H31 O26A^b 0.95 2.54 3.444(17) 159.3 1_545 yes
C32 H32 O24^a 0.95 2.65 3.380(6) 133.7 1_545 yes
C38 H38 O13 0.95 2.54 3.383(6) 148.2 2_666 yes
C39 H39 O1 0.95 2.29 3.235(4) 174.6 . yes
C43 H43 O12 0.95 2.52 3.251(5) 133.9 1_545 yes
C47 H47 N5 0.95 2.53 3.461(5) 165.3 . yes
C57 H57 O5 0.95 2.63 3.566(4) 170.0 . yes
C63 H63 O2 0.95 2.42 3.301(5) 154.8 . yes
C68 H68 O24^a 0.95 2.55 3.434(6) 155.2 2_666 yes
C68 H68 O23^a 0.95 2.65 3.338(6) 129.3 2_666 yes
N13 H13N N7 0.88 1.89 2.763(4) 174.9 . yes
C91 H91 O16 0.95 2.59 3.324(5) 134.1 1_565 yes
C104 H104 O20 0.95 2.56 3.355(5) 142.0 1_665 yes
C105 H105 O22 0.95 2.60 3.483(6) 154.2 1_665 yes
C107 H107 O26^a 0.95 2.61 3.318(6) 131.4 1_655 yes
C112 H112 O17 0.95 2.56 3.505(6) 175.3 . yes
C112 H112 O18 0.95 2.64 3.346(5) 131.7 . yes
C118 H118 O16 0.95 2.63 3.462(6) 146.4 2_765 yes
C119 H119 O7 0.95 2.33 3.268(4) 170.2 . yes
C122 H122 O16 0.95 2.63 3.249(5) 123.3 1_565 yes
C123 H123 O15 0.95 2.61 3.329(5) 132.5 1_565 yes
C127 H127 N8 0.95 2.53 3.450(5) 162.2 . yes
C129 H129 O33^a 0.95 2.36 3.112(6) 135.5 . yes
C137 H137 O10 0.95 2.59 3.532(4) 170.0 . yes
C145 H145 O6 0.95 2.64 3.439(5) 142.5 . yes
C146 H146 O17 0.95 2.58 3.210(6) 123.9 . yes
C154 H154 O20 0.95 2.35 3.259(6) 160.3 2_665 yes
O26A^b H26A^b O31A^b 0.84 2.51 3.07(2) 125.2 . yes
C158^b H15J^b O31A^b 0.99 2.16 2.89(3) 129.3 . yes
O27 H27A O21 0.84 1.94 2.752(6) 162.0 . yes
