#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:09:31 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179469 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/66/4336685.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_4336685
loop_
_publ_author_name
'Michał J. Kobyłka'
'Katarzyna Ślepokura'
'Maria Acebrón Rodicio'
'Marta Paluch'
'Jerzy Lisowski'
_publ_contact_author_address
;
Department of Chemistry, 
University of Wroclaw, 
14 F. Joliot-Curie
50-383 Wroclaw,
Poland
;
_publ_contact_author_email       jerzy.lisowski@chem.uni.wroc.pl
_publ_contact_author_fax         '+48 71 3282348'
_publ_contact_author_name        'Jerzy Lisowski'
_publ_contact_author_phone       '+48 71 3757252'
_publ_section_title
;
 Incorporation of Trinuclear Lanthanide(III) Hydroxo Bridged Clusters in
 Macrocyclic Frameworks
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              12893
_journal_page_last               12903
_journal_paper_doi               10.1021/ic400508y
_journal_volume                  52
_journal_year                    2013
_chemical_absolute_configuration rmad
_chemical_formula_sum            'C116 H206 Dy6 N20 O46'
_chemical_formula_weight         3592.01
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 109.19(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.789(4)
_cell_length_b                   20.843(4)
_cell_length_c                   21.923(4)
_cell_measurement_reflns_used    31776
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      36.87
_cell_measurement_theta_min      2.85
_cell_volume                     7245(3)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.42 (release 29-05-2009 CrysAlis171 .NET)
(compiled May 29 2009,17:40:42)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.33.42 (release 29-05-2009 CrysAlis171 .NET)
(compiled May 29 2009,17:40:42)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.42 (release 29-05-2009 CrysAlis171 .NET)
(compiled May 29 2009,17:40:42)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type
;
Kuma KM4 CCD kappa-geometry diffractometer with a Sapphire CCD camera
;
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) x-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0315
_diffrn_reflns_av_sigmaI/netI    0.0422
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            47258
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         2.85
_exptl_absorpt_coefficient_mu    3.140
_exptl_absorpt_correction_T_max  0.811
_exptl_absorpt_correction_T_min  0.578
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.42 (release 29-05-2009 CrysAlis171 .NET)
(compiled May 29 2009,17:40:42)
Analytical numeric absorption correction using a multifaceted 
crystal model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            yellowish
_exptl_crystal_density_diffrn    1.646
_exptl_crystal_description       block
_exptl_crystal_F_000             3612
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.356
_refine_diff_density_min         -0.934
_refine_diff_density_rms         0.124
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.001(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     847
_refine_ls_number_reflns         20113
_refine_ls_number_restraints     313
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0406
_refine_ls_R_factor_gt           0.0334
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0479P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0763
_refine_ls_wR_factor_ref         0.0781
_reflns_number_gt                17811
_reflns_number_total             20113
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic400508y_si_002_1.cif
_cod_data_source_block           13
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               4336685
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1A Dy 0.397235(12) 0.35929(2) -0.055753(9) 0.01764(5) Uani 1 1 d . . .
Dy2A Dy 0.5000 0.50678(2) 0.0000 0.01945(6) Uani 1 2 d S . .
O1A O 0.5000 0.2814(2) 0.0000 0.0203(9) Uani 1 2 d S . .
O2A O 0.3668(2) 0.47196(16) -0.07072(15) 0.0217(6) Uani 1 1 d . . .
O3A O 0.47235(19) 0.40865(15) 0.04320(14) 0.0184(6) Uani 1 1 d . . .
H3A H 0.4489 0.4086 0.0796 0.022 Uiso 1 1 calc R . .
N1A N 0.3381(2) 0.25336(19) -0.09750(18) 0.0206(8) Uani 1 1 d . . .
H1A H 0.3324 0.2321 -0.0618 0.025 Uiso 1 1 calc R . .
N2A N 0.2425(2) 0.3635(2) -0.12081(17) 0.0201(7) Uani 1 1 d . . .
H2A H 0.2387 0.3769 -0.1621 0.024 Uiso 1 1 calc R . .
N3A N 0.4256(3) 0.60784(19) -0.05265(19) 0.0246(8) Uani 1 1 d . . .
H3A1 H 0.3811 0.6141 -0.0369 0.030 Uiso 1 1 calc R . .
C1A C 0.5000 0.2153(3) 0.0000 0.0151(11) Uani 1 2 d S . .
C2A C 0.4572(3) 0.1811(2) -0.0559(2) 0.0210(9) Uani 1 1 d . . .
C3A C 0.4578(3) 0.1145(2) -0.0551(2) 0.0268(10) Uani 1 1 d . . .
H3A2 H 0.4283 0.0918 -0.0935 0.032 Uiso 1 1 calc R . .
C4A C 0.5000 0.0806(3) 0.0000 0.0325(16) Uani 1 2 d S . .
C5A C 0.5000 0.0066(3) 0.0000 0.061(3) Uani 1 2 d SD . .
C6A C 0.5339(6) -0.0280(6) -0.0476(4) 0.053(3) Uiso 0.50 1 d PD . .
H6A1 H 0.5800 -0.0030 -0.0539 0.079 Uiso 0.50 1 calc PR . .
H6A2 H 0.4885 -0.0329 -0.0890 0.079 Uiso 0.50 1 calc PR . .
H6A3 H 0.5548 -0.0705 -0.0305 0.079 Uiso 0.50 1 calc PR . .
C7A C 0.4052(2) -0.0088(7) -0.0204(5) 0.066(4) Uiso 0.50 1 d PD . .
H7A1 H 0.3806 0.0126 0.0090 0.098 Uiso 0.50 1 calc PR . .
H7A2 H 0.3975 -0.0553 -0.0186 0.098 Uiso 0.50 1 calc PR . .
H7A3 H 0.3773 0.0064 -0.0646 0.098 Uiso 0.50 1 calc PR . .
C8A C 0.5403(7) -0.0251(7) 0.0660(3) 0.062(4) Uiso 0.50 1 d PD . .
H8A1 H 0.5194 -0.0043 0.0979 0.093 Uiso 0.50 1 calc PR . .
H8A2 H 0.6017 -0.0205 0.0792 0.093 Uiso 0.50 1 calc PR . .
H8A3 H 0.5255 -0.0707 0.0630 0.093 Uiso 0.50 1 calc PR . .
C9A C 0.4042(3) 0.2166(2) -0.1143(2) 0.0227(9) Uani 1 1 d . . .
H9A1 H 0.4399 0.2464 -0.1293 0.027 Uiso 1 1 calc R . .
H9A2 H 0.3774 0.1860 -0.1496 0.027 Uiso 1 1 calc R . .
C10A C 0.2528(3) 0.2513(2) -0.1465(2) 0.0218(9) Uani 1 1 d . . .
H10A H 0.2572 0.2632 -0.1895 0.026 Uiso 1 1 calc R . .
C11A C 0.2116(3) 0.1851(3) -0.1520(2) 0.0291(10) Uani 1 1 d . . .
H11A H 0.2096 0.1722 -0.1090 0.035 Uiso 1 1 calc R . .
H11B H 0.2467 0.1534 -0.1652 0.035 Uiso 1 1 calc R . .
C12A C 0.1220(3) 0.1839(3) -0.2008(3) 0.0366(12) Uani 1 1 d . . .
H12A H 0.0967 0.1410 -0.2010 0.044 Uiso 1 1 calc R . .
H12B H 0.1240 0.1926 -0.2447 0.044 Uiso 1 1 calc R . .
C13A C 0.0676(3) 0.2350(3) -0.1828(3) 0.0393(13) Uani 1 1 d . . .
H13A H 0.0111 0.2361 -0.2162 0.047 Uiso 1 1 calc R . .
H13B H 0.0603 0.2234 -0.1411 0.047 Uiso 1 1 calc R . .
C14A C 0.1084(3) 0.3015(3) -0.1770(3) 0.0330(11) Uani 1 1 d . . .
H14A H 0.0737 0.3330 -0.1631 0.040 Uiso 1 1 calc R . .
H14B H 0.1104 0.3150 -0.2198 0.040 Uiso 1 1 calc R . .
C15A C 0.1983(3) 0.3007(3) -0.1280(2) 0.0235(9) Uani 1 1 d . . .
H15A H 0.1945 0.2884 -0.0849 0.028 Uiso 1 1 calc R . .
C16A C 0.2038(3) 0.4152(2) -0.0923(2) 0.0237(9) Uani 1 1 d . . .
H16A H 0.1429 0.4065 -0.1021 0.028 Uiso 1 1 calc R . .
H16B H 0.2307 0.4157 -0.0448 0.028 Uiso 1 1 calc R . .
C17A C 0.2155(3) 0.4787(3) -0.1197(2) 0.0255(10) Uani 1 1 d . . .
C18A C 0.1455(3) 0.5093(3) -0.1605(2) 0.0313(11) Uani 1 1 d . . .
H18A H 0.0918 0.4898 -0.1690 0.038 Uiso 1 1 calc R . .
C19A C 0.1504(3) 0.5678(3) -0.1897(2) 0.0326(12) Uani 1 1 d . A .
C20A C 0.2311(3) 0.5947(3) -0.1749(2) 0.0308(10) Uani 1 1 d . . .
H20A H 0.2369 0.6357 -0.1918 0.037 Uiso 1 1 calc R . .
C21A C 0.3031(3) 0.5628(2) -0.1360(2) 0.0233(9) Uani 1 1 d . . .
C22A C 0.2969(3) 0.5045(2) -0.1081(2) 0.0172(8) Uani 1 1 d . . .
C23A C 0.0735(3) 0.5988(3) -0.2373(2) 0.0504(16) Uani 1 1 d D . .
C24A C 0.0060(5) 0.6163(4) -0.2077(4) 0.047(3) Uiso 0.635(13) 1 d PD A 1
H24A H -0.0419 0.6363 -0.2406 0.071 Uiso 0.635(13) 1 calc PR A 1
H24B H 0.0295 0.6464 -0.1719 0.071 Uiso 0.635(13) 1 calc PR A 1
H24C H -0.0130 0.5774 -0.1914 0.071 Uiso 0.635(13) 1 calc PR A 1
C25A C 0.0936(6) 0.6599(4) -0.2682(5) 0.057(3) Uiso 0.635(13) 1 d PD A 1
H25A H 0.0414 0.6777 -0.2982 0.085 Uiso 0.635(13) 1 calc PR A 1
H25B H 0.1325 0.6497 -0.2917 0.085 Uiso 0.635(13) 1 calc PR A 1
H25C H 0.1197 0.6915 -0.2344 0.085 Uiso 0.635(13) 1 calc PR A 1
C26A C 0.0329(7) 0.5521(5) -0.2928(4) 0.075(4) Uiso 0.635(13) 1 d PD A 1
H26A H -0.0170 0.5721 -0.3236 0.112 Uiso 0.635(13) 1 calc PR A 1
H26B H 0.0162 0.5128 -0.2755 0.112 Uiso 0.635(13) 1 calc PR A 1
H26C H 0.0735 0.5414 -0.3147 0.112 Uiso 0.635(13) 1 calc PR A 1
C24Q C 0.0621(15) 0.6593(6) -0.2014(9) 0.111(12) Uiso 0.365(13) 1 d PD A 2
H24D H 0.0129 0.6833 -0.2283 0.167 Uiso 0.365(13) 1 calc PR A 2
H24E H 0.1126 0.6862 -0.1920 0.167 Uiso 0.365(13) 1 calc PR A 2
H24F H 0.0536 0.6470 -0.1608 0.167 Uiso 0.365(13) 1 calc PR A 2
C25Q C 0.0759(11) 0.6205(9) -0.3032(5) 0.059(6) Uiso 0.365(13) 1 d PD A 2
H25D H 0.0213 0.6392 -0.3281 0.089 Uiso 0.365(13) 1 calc PR A 2
H25E H 0.0877 0.5836 -0.3265 0.089 Uiso 0.365(13) 1 calc PR A 2
H25F H 0.1203 0.6528 -0.2973 0.089 Uiso 0.365(13) 1 calc PR A 2
C26Q C -0.0067(9) 0.5589(10) -0.2496(9) 0.090(9) Uiso 0.365(13) 1 d PD A 2
H26D H -0.0544 0.5814 -0.2804 0.135 Uiso 0.365(13) 1 calc PR A 2
H26E H -0.0180 0.5527 -0.2088 0.135 Uiso 0.365(13) 1 calc PR A 2
H26F H 0.0007 0.5171 -0.2674 0.135 Uiso 0.365(13) 1 calc PR A 2
C27A C 0.3875(3) 0.5950(3) -0.1228(2) 0.0271(9) Uani 1 1 d . . .
H27A H 0.4253 0.5669 -0.1374 0.033 Uiso 1 1 calc R . .
H27B H 0.3802 0.6358 -0.1471 0.033 Uiso 1 1 calc R . .
C28A C 0.4779(3) 0.6660(2) -0.0366(3) 0.0284(10) Uani 1 1 d . . .
H28A H 0.5222 0.6627 -0.0578 0.034 Uiso 1 1 calc R . .
C29A C 0.4286(4) 0.7283(3) -0.0595(3) 0.0480(16) Uani 1 1 d . . .
H29A H 0.4069 0.7287 -0.1073 0.058 Uiso 1 1 calc R . .
H29B H 0.3794 0.7291 -0.0440 0.058 Uiso 1 1 calc R . .
C30A C 0.4811(5) 0.7887(3) -0.0358(3) 0.0525(17) Uani 1 1 d . . .
H30A H 0.5265 0.7910 -0.0553 0.063 Uiso 1 1 calc R . .
H30B H 0.4449 0.8271 -0.0498 0.063 Uiso 1 1 calc R . .
N4A N 0.3132(3) 0.3295(2) 0.06562(19) 0.070(2) Uani 1 1 d D . .
O4A O 0.3261(2) 0.31887(19) 0.01396(14) 0.0341(9) Uani 1 1 d D B .
O5A O 0.2868(8) 0.2859(3) 0.0925(4) 0.067(3) Uiso 0.618(17) 1 d PD B 1
O6A O 0.3327(7) 0.3823(3) 0.0926(3) 0.057(3) Uiso 0.618(17) 1 d PD B 1
O5Q O 0.2502(5) 0.3062(6) 0.0751(4) 0.039(4) Uiso 0.382(17) 1 d PD B 2
O6Q O 0.3635(6) 0.3627(7) 0.1080(3) 0.039(3) Uiso 0.382(17) 1 d PD B 2
O1WA O 0.4021(2) 0.36403(19) -0.16291(14) 0.0259(7) Uani 1 1 d . . .
O1MA O 0.5745(2) 0.53722(18) -0.07209(18) 0.0299(8) Uani 1 1 d D . .
H1MA H 0.5492 0.5159 -0.1053 0.036 Uiso 1 1 calc R . .
C1MA C 0.6624(3) 0.5348(4) -0.0608(4) 0.064(2) Uani 1 1 d D . .
H1M3 H 0.6921 0.5577 -0.0207 0.096 Uiso 1 1 calc R . .
H1M4 H 0.6751 0.5550 -0.0969 0.096 Uiso 1 1 calc R . .
H1M5 H 0.6810 0.4899 -0.0569 0.096 Uiso 1 1 calc R . .
Dy1B Dy 0.061064(12) 0.09740(2) 0.448321(10) 0.01968(5) Uani 1 1 d . . .
Dy2B Dy 0.0000 0.24361(2) 0.5000 0.02070(7) Uani 1 2 d S . .
O1B O 0.0000 0.0213(2) 0.5000 0.0259(10) Uani 1 2 d S . .
O2B O 0.0801(2) 0.20850(16) 0.43372(16) 0.0243(7) Uani 1 1 d . . .
O3B O 0.06226(18) 0.14666(15) 0.54619(15) 0.0195(6) Uani 1 1 d . . .
H3B H 0.1148 0.1468 0.5846 0.023 Uiso 1 1 calc R . .
N1B N 0.1175(3) -0.0088(2) 0.4280(2) 0.0276(9) Uani 1 1 d . . .
H1B H 0.0725 -0.0316 0.4003 0.033 Uiso 1 1 calc R . .
N2B N 0.1362(2) 0.1044(2) 0.36853(18) 0.0233(8) Uani 1 1 d . . .
H2B H 0.1882 0.1230 0.3900 0.028 Uiso 1 1 calc R . .
N3B N 0.0606(3) 0.3438(2) 0.4705(2) 0.0319(10) Uani 1 1 d . . .
H3B1 H 0.0338 0.3494 0.4264 0.038 Uiso 1 1 calc R . .
C1B C 0.0000 -0.0446(3) 0.5000 0.0300(17) Uani 1 2 d S . .
C2B C 0.0717(4) -0.0787(3) 0.4983(3) 0.0393(14) Uani 1 1 d . . .
C3B C 0.0681(6) -0.1453(3) 0.4973(4) 0.064(2) Uani 1 1 d . . .
H3B2 H 0.1158 -0.1680 0.4945 0.077 Uiso 1 1 calc R . .
C4B C 0.0000 -0.1806(8) 0.5000 0.089(3) Uani 1 2 d SU . .
C5B C 0.0000 -0.2522(5) 0.5000 0.093(2) Uani 1 2 d SDU . .
C6B C -0.0218(11) -0.2813(10) 0.5566(6) 0.094(3) Uiso 0.50 1 d PDU . .
H6B1 H 0.0117 -0.2603 0.5968 0.142 Uiso 0.50 1 calc PR . .
H6B2 H -0.0090 -0.3273 0.5594 0.142 Uiso 0.50 1 calc PR . .
H6B3 H -0.0819 -0.2751 0.5498 0.142 Uiso 0.50 1 calc PR . .
C7B C -0.0742(7) -0.2679(10) 0.4388(5) 0.097(3) Uiso 0.50 1 d PDU . .
H7B1 H -0.0643 -0.2484 0.4013 0.146 Uiso 0.50 1 calc PR . .
H7B2 H -0.1264 -0.2508 0.4432 0.146 Uiso 0.50 1 calc PR . .
H7B3 H -0.0790 -0.3145 0.4331 0.146 Uiso 0.50 1 calc PR . .
C8B C 0.0761(8) -0.2890(10) 0.4947(8) 0.103(3) Uiso 0.50 1 d PDU . .
H8B1 H 0.1234 -0.2593 0.5009 0.154 Uiso 0.50 1 calc PR . .
H8B2 H 0.0616 -0.3087 0.4519 0.154 Uiso 0.50 1 calc PR . .
H8B3 H 0.0922 -0.3224 0.5279 0.154 Uiso 0.50 1 calc PR . .
C9B C 0.1466(4) -0.0446(3) 0.4915(3) 0.0357(13) Uani 1 1 d . . .
H9B1 H 0.1912 -0.0759 0.4918 0.043 Uiso 1 1 calc R . .
H9B2 H 0.1698 -0.0143 0.5277 0.043 Uiso 1 1 calc R . .
C10B C 0.1840(3) -0.0053(2) 0.3967(2) 0.0254(10) Uani 1 1 d . . .
H10B H 0.2373 0.0107 0.4291 0.030 Uiso 1 1 calc R . .
C11B C 0.2017(3) -0.0707(3) 0.3707(3) 0.0295(11) Uani 1 1 d . . .
H11C H 0.2235 -0.1012 0.4071 0.035 Uiso 1 1 calc R . .
H11D H 0.1486 -0.0885 0.3407 0.035 Uiso 1 1 calc R . .
C12B C 0.2667(3) -0.0634(3) 0.3353(2) 0.0313(11) Uani 1 1 d . . .
H12C H 0.3216 -0.0498 0.3664 0.038 Uiso 1 1 calc R . .
H12D H 0.2750 -0.1053 0.3170 0.038 Uiso 1 1 calc R . .
C13B C 0.2375(3) -0.0145(3) 0.2818(2) 0.0309(11) Uani 1 1 d . . .
H13C H 0.1855 -0.0302 0.2486 0.037 Uiso 1 1 calc R . .
H13D H 0.2813 -0.0091 0.2611 0.037 Uiso 1 1 calc R . .
C14B C 0.2201(3) 0.0495(3) 0.3076(2) 0.0283(10) Uani 1 1 d . . .
H14C H 0.1996 0.0803 0.2713 0.034 Uiso 1 1 calc R . .
H14D H 0.2732 0.0667 0.3382 0.034 Uiso 1 1 calc R . .
C15B C 0.1542(3) 0.0434(2) 0.3420(2) 0.0237(9) Uani 1 1 d . . .
H15B H 0.1006 0.0272 0.3100 0.028 Uiso 1 1 calc R . .
C16B C 0.0896(3) 0.1510(2) 0.3188(2) 0.0239(9) Uani 1 1 d . . .
H16C H 0.0287 0.1492 0.3133 0.029 Uiso 1 1 calc R . .
H16D H 0.0968 0.1403 0.2769 0.029 Uiso 1 1 calc R . .
C17B C 0.1231(3) 0.2171(2) 0.3396(2) 0.0260(10) Uani 1 1 d . . .
C18B C 0.1626(3) 0.2523(3) 0.3033(3) 0.0319(11) Uani 1 1 d . . .
H18B H 0.1641 0.2344 0.2638 0.038 Uiso 1 1 calc R . .
C19B C 0.1993(4) 0.3111(3) 0.3216(3) 0.0407(14) Uani 1 1 d . C .
C20B C 0.1948(5) 0.3354(3) 0.3806(3) 0.0507(18) Uani 1 1 d . . .
H20B H 0.2184 0.3764 0.3948 0.061 Uiso 1 1 calc R . .
C21B C 0.1572(4) 0.3016(3) 0.4186(2) 0.0342(12) Uani 1 1 d . . .
C22B C 0.1195(3) 0.2412(2) 0.3978(2) 0.0203(9) Uani 1 1 d . . .
C23B C 0.2381(4) 0.3488(3) 0.2798(3) 0.075(3) Uani 1 1 d D . .
C24B C 0.2865(7) 0.4089(4) 0.3111(5) 0.068(4) Uiso 0.666(11) 1 d PD C 1
H24G H 0.3083 0.4307 0.2803 0.102 Uiso 0.666(11) 1 calc PR C 1
H24H H 0.3336 0.3968 0.3495 0.102 Uiso 0.666(11) 1 calc PR C 1
H24I H 0.2486 0.4379 0.3237 0.102 Uiso 0.666(11) 1 calc PR C 1
C25B C 0.1701(6) 0.3704(6) 0.2177(5) 0.090(4) Uiso 0.666(11) 1 d PDU C 1
H25G H 0.1962 0.3953 0.1914 0.136 Uiso 0.666(11) 1 calc PR C 1
H25H H 0.1285 0.3970 0.2285 0.136 Uiso 0.666(11) 1 calc PR C 1
H25I H 0.1420 0.3327 0.1933 0.136 Uiso 0.666(11) 1 calc PR C 1
C26B C 0.2999(7) 0.3069(5) 0.2594(6) 0.088(4) Uiso 0.666(11) 1 d PDU C 1
H26G H 0.3241 0.3319 0.2320 0.131 Uiso 0.666(11) 1 calc PR C 1
H26H H 0.2700 0.2696 0.2353 0.131 Uiso 0.666(11) 1 calc PR C 1
H26I H 0.3451 0.2923 0.2979 0.131 Uiso 0.666(11) 1 calc PR C 1
C24E C 0.3270(7) 0.3727(12) 0.3171(11) 0.104(11) Uiso 0.334(11) 1 d PD C 2
H24J H 0.3491 0.3971 0.2880 0.156 Uiso 0.334(11) 1 calc PR C 2
H24K H 0.3638 0.3359 0.3344 0.156 Uiso 0.334(11) 1 calc PR C 2
H24L H 0.3249 0.4003 0.3527 0.156 Uiso 0.334(11) 1 calc PR C 2
C25E C 0.1822(14) 0.4083(8) 0.2599(12) 0.098(5) Uiso 0.334(11) 1 d PDU C 2
H25J H 0.2029 0.4352 0.2317 0.147 Uiso 0.334(11) 1 calc PR C 2
H25K H 0.1838 0.4326 0.2985 0.147 Uiso 0.334(11) 1 calc PR C 2
H25L H 0.1240 0.3951 0.2368 0.147 Uiso 0.334(11) 1 calc PR C 2
C26E C 0.2423(15) 0.3181(12) 0.2177(7) 0.083(4) Uiso 0.334(11) 1 d PDU C 2
H26J H 0.2665 0.3487 0.1947 0.125 Uiso 0.334(11) 1 calc PR C 2
H26K H 0.1854 0.3062 0.1901 0.125 Uiso 0.334(11) 1 calc PR C 2
H26L H 0.2778 0.2796 0.2283 0.125 Uiso 0.334(11) 1 calc PR C 2
C27B C 0.1510(4) 0.3313(3) 0.4789(3) 0.0350(12) Uani 1 1 d . . .
H27C H 0.1755 0.3021 0.5159 0.042 Uiso 1 1 calc R . .
H27D H 0.1831 0.3721 0.4878 0.042 Uiso 1 1 calc R . .
C28B C 0.0470(4) 0.4024(3) 0.5007(3) 0.0412(14) Uani 1 1 d . . .
H28B H 0.0845 0.4021 0.5468 0.049 Uiso 1 1 calc R . .
C29B C 0.0654(6) 0.4639(3) 0.4684(4) 0.061(2) Uani 1 1 d . . .
H29C H 0.1255 0.4640 0.4712 0.073 Uiso 1 1 calc R . .
H29D H 0.0308 0.4637 0.4221 0.073 Uiso 1 1 calc R . .
C30B C 0.0465(6) 0.5252(3) 0.5002(5) 0.086(3) Uani 1 1 d . . .
H30C H 0.0562 0.5633 0.4766 0.103 Uiso 1 1 calc R . .
H30D H 0.0851 0.5279 0.5453 0.103 Uiso 1 1 calc R . .
N4B N 0.27373(18) 0.1119(3) 0.52756(14) 0.0581(19) Uani 1 1 d D . .
O4B O 0.19949(17) 0.0970(2) 0.52008(16) 0.0404(9) Uani 1 1 d D D .
O5B O 0.2903(3) 0.1443(6) 0.4858(4) 0.057(3) Uiso 0.55(2) 1 d PD D 1
O6B O 0.3307(2) 0.0958(6) 0.5776(4) 0.055(3) Uiso 0.55(2) 1 d PD D 1
O5E O 0.2991(3) 0.1130(6) 0.4804(2) 0.037(3) Uiso 0.45(2) 1 d PD D 2
O6E O 0.3232(3) 0.1233(7) 0.5826(2) 0.042(3) Uiso 0.45(2) 1 d PD D 2
N5B N 0.1617(2) 0.2637(2) 0.63779(15) 0.0424(12) Uani 1 1 d D . .
O7B O 0.0927(2) 0.28241(18) 0.60039(18) 0.0360(9) Uani 1 1 d D . .
O8B O 0.2071(3) 0.2292(3) 0.6169(2) 0.0617(15) Uani 1 1 d D . .
O9B O 0.1878(3) 0.2825(2) 0.69451(16) 0.0540(13) Uani 1 1 d D . .
O1WB O -0.0469(2) 0.06005(18) 0.35411(17) 0.0282(7) Uani 1 1 d . . .
N6 N 0.5236(3) 0.4705(2) -0.2252(2) 0.0294(9) Uani 1 1 d . . .
O10 O 0.5016(3) 0.4297(2) -0.2692(2) 0.0475(11) Uani 1 1 d . . .
O11 O 0.5022(3) 0.4626(2) -0.17552(18) 0.0393(9) Uani 1 1 d . . .
O12 O 0.5615(3) 0.5196(2) -0.23042(19) 0.0436(10) Uani 1 1 d . . .
O2M O 0.3645(3) 0.2808(2) 0.73749(19) 0.0480(11) Uani 1 1 d D . .
H2M H 0.3135 0.2887 0.7177 0.072 Uiso 1 1 calc R . .
C2M C 0.4083(5) 0.2744(4) 0.6926(3) 0.0558(18) Uani 1 1 d D . .
H2M1 H 0.3893 0.3078 0.6595 0.084 Uiso 1 1 calc R . .
H2M2 H 0.3969 0.2321 0.6722 0.084 Uiso 1 1 calc R . .
H2M3 H 0.4690 0.2791 0.7151 0.084 Uiso 1 1 calc R . .
O3M O -0.2075(3) 0.0743(3) 0.34800(19) 0.0527(12) Uani 1 1 d D . .
H3M H -0.2293 0.0841 0.3762 0.079 Uiso 1 1 calc R . .
C3M C -0.2638(5) 0.0901(5) 0.2861(3) 0.069(2) Uani 1 1 d D . .
H3M1 H -0.2781 0.1357 0.2848 0.104 Uiso 1 1 calc R . .
H3M2 H -0.3153 0.0644 0.2771 0.104 Uiso 1 1 calc R . .
H3M3 H -0.2371 0.0810 0.2535 0.104 Uiso 1 1 calc R . .
O4M O 0.2361(3) 0.1742(3) 0.0168(3) 0.0727(16) Uani 1 1 d D . .
H4M H 0.2407 0.2099 0.0004 0.109 Uiso 1 1 calc R . .
C4M C 0.3122(5) 0.1396(6) 0.0296(5) 0.106(4) Uani 1 1 d D . .
H4M1 H 0.3591 0.1696 0.0354 0.159 Uiso 1 1 calc R . .
H4M2 H 0.3082 0.1109 -0.0067 0.159 Uiso 1 1 calc R . .
H4M3 H 0.3223 0.1141 0.0690 0.159 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O3A Dy1A O3A 60.37(13) 2_655 .
O3A Dy1A O1WA 76.38(11) 2_655 .
O3A Dy1A O1WA 135.15(11) . .
O3A Dy1A O4A 136.36(11) 2_655 .
O3A Dy1A O4A 78.08(11) . .
O1WA Dy1A O4A 146.66(11) . .
O3A Dy1A O1A 75.49(10) 2_655 .
O3A Dy1A O1A 75.40(10) . .
O1WA Dy1A O1A 106.24(9) . .
O4A Dy1A O1A 82.06(10) . .
O3A Dy1A O2A 74.72(11) 2_655 .
O3A Dy1A O2A 74.01(11) . .
O1WA Dy1A O2A 84.23(12) . .
O4A Dy1A O2A 107.72(12) . .
O1A Dy1A O2A 144.92(11) . .
O3A Dy1A N1A 132.81(11) 2_655 .
O3A Dy1A N1A 139.41(12) . .
O1WA Dy1A N1A 79.12(13) . .
O4A Dy1A N1A 72.32(12) . .
O1A Dy1A N1A 73.57(12) . .
O2A Dy1A N1A 141.41(12) . .
O3A Dy1A N2A 142.91(12) 2_655 .
O3A Dy1A N2A 130.22(11) . .
O1WA Dy1A N2A 78.67(11) . .
O4A Dy1A N2A 74.59(12) . .
O1A Dy1A N2A 138.50(13) . .
O2A Dy1A N2A 75.86(12) . .
N1A Dy1A N2A 66.89(13) . .
O3A Dy1A Dy1A 41.82(7) 2_655 2_655
O3A Dy1A Dy1A 41.71(8) . 2_655
O1WA Dy1A Dy1A 110.02(8) . 2_655
O4A Dy1A Dy1A 97.98(8) . 2_655
O1A Dy1A Dy1A 42.74(8) . 2_655
O2A Dy1A Dy1A 102.19(8) . 2_655
N1A Dy1A Dy1A 116.17(9) . 2_655
N2A Dy1A Dy1A 171.01(8) . 2_655
O3A Dy1A Dy2A 41.46(7) 2_655 .
O3A Dy1A Dy2A 41.47(7) . .
O1WA Dy1A Dy2A 97.69(9) . .
O4A Dy1A Dy2A 112.09(8) . .
O1A Dy1A Dy2A 103.00(8) . .
O2A Dy1A Dy2A 41.94(8) . .
N1A Dy1A Dy2A 174.25(9) . .
N2A Dy1A Dy2A 117.38(10) . .
Dy1A Dy1A Dy2A 60.261(11) 2_655 .
O3A Dy2A O3A 60.12(14) 2_655 .
O3A Dy2A O2A 74.37(11) 2_655 2_655
O3A Dy2A O2A 74.99(11) . 2_655
O3A Dy2A O2A 74.99(11) 2_655 .
O3A Dy2A O2A 74.37(11) . .
O2A Dy2A O2A 144.45(16) 2_655 .
O3A Dy2A O1MA 134.90(12) 2_655 2_655
O3A Dy2A O1MA 75.60(12) . 2_655
O2A Dy2A O1MA 103.49(12) 2_655 2_655
O2A Dy2A O1MA 85.87(12) . 2_655
O3A Dy2A O1MA 75.60(12) 2_655 .
O3A Dy2A O1MA 134.90(12) . .
O2A Dy2A O1MA 85.87(12) 2_655 .
O2A Dy2A O1MA 103.49(12) . .
O1MA Dy2A O1MA 149.36(19) 2_655 .
O3A Dy2A N3A 140.54(12) 2_655 2_655
O3A Dy2A N3A 132.17(12) . 2_655
O2A Dy2A N3A 74.86(13) 2_655 2_655
O2A Dy2A N3A 140.38(13) . 2_655
O1MA Dy2A N3A 76.43(13) 2_655 2_655
O1MA Dy2A N3A 78.12(13) . 2_655
O3A Dy2A N3A 132.17(12) 2_655 .
O3A Dy2A N3A 140.54(12) . .
O2A Dy2A N3A 140.38(13) 2_655 .
O2A Dy2A N3A 74.86(13) . .
O1MA Dy2A N3A 78.12(13) 2_655 .
O1MA Dy2A N3A 76.43(13) . .
N3A Dy2A N3A 67.01(19) 2_655 .
O3A Dy2A Dy1A 41.22(7) 2_655 .
O3A Dy2A Dy1A 41.34(7) . .
O2A Dy2A Dy1A 101.96(8) 2_655 .
O2A Dy2A Dy1A 42.49(8) . .
O1MA Dy2A Dy1A 99.00(9) 2_655 .
O1MA Dy2A Dy1A 107.60(9) . .
N3A Dy2A Dy1A 173.41(9) 2_655 .
N3A Dy2A Dy1A 117.04(10) . .
O3A Dy2A Dy1A 41.34(7) 2_655 2_655
O3A Dy2A Dy1A 41.22(7) . 2_655
O2A Dy2A Dy1A 42.49(8) 2_655 2_655
O2A Dy2A Dy1A 101.96(8) . 2_655
O1MA Dy2A Dy1A 107.60(9) 2_655 2_655
O1MA Dy2A Dy1A 99.00(9) . 2_655
N3A Dy2A Dy1A 117.04(10) 2_655 2_655
N3A Dy2A Dy1A 173.41(9) . 2_655
Dy1A Dy2A Dy1A 59.48(2) . 2_655
C1A O1A Dy1A 132.74(8) . 2_655
C1A O1A Dy1A 132.74(8) . .
Dy1A O1A Dy1A 94.53(16) 2_655 .
C22A O2A Dy2A 132.5(3) . .
C22A O2A Dy1A 131.9(3) . .
Dy2A O2A Dy1A 95.57(11) . .
Dy1A O3A Dy1A 96.47(11) 2_655 .
Dy1A O3A Dy2A 97.32(11) 2_655 .
Dy1A O3A Dy2A 97.18(11) . .
Dy1A O3A H3A 120.1 2_655 .
Dy1A O3A H3A 120.1 . .
Dy2A O3A H3A 120.1 . .
C10A N1A C9A 115.3(3) . .
C10A N1A Dy1A 118.0(3) . .
C9A N1A Dy1A 108.1(3) . .
C10A N1A H1A 104.7 . .
C9A N1A H1A 104.7 . .
Dy1A N1A H1A 104.7 . .
C15A N2A C16A 114.1(3) . .
C15A N2A Dy1A 114.5(3) . .
C16A N2A Dy1A 107.3(3) . .
C15A N2A H2A 106.8 . .
C16A N2A H2A 106.8 . .
Dy1A N2A H2A 106.8 . .
C28A N3A C27A 114.7(4) . .
C28A N3A Dy2A 114.3(3) . .
C27A N3A Dy2A 107.7(3) . .
C28A N3A H3A1 106.5 . .
C27A N3A H3A1 106.5 . .
Dy2A N3A H3A1 106.5 . .
O1A C1A C2A 120.7(3) . .
O1A C1A C2A 120.7(3) . 2_655
C2A C1A C2A 118.5(6) . 2_655
C3A C2A C1A 120.1(5) . .
C3A C2A C9A 120.4(4) . .
C1A C2A C9A 119.3(4) . .
C4A C3A C2A 121.5(5) . .
C4A C3A H3A2 119.2 . .
C2A C3A H3A2 119.2 . .
C3A C4A C3A 118.3(6) 2_655 .
C3A C4A C5A 120.8(3) 2_655 .
C3A C4A C5A 120.8(3) . .
C6A C5A C6A 123.5(10) . 2_655
C6A C5A C8A 45.3(5) . 2_655
C6A C5A C8A 107.1(3) 2_655 2_655
C6A C5A C8A 107.1(3) . .
C6A C5A C8A 45.3(5) 2_655 .
C8A C5A C8A 128.8(10) 2_655 .
C6A C5A C7A 106.5(3) . .
C6A C5A C7A 61.1(5) 2_655 .
C8A C5A C7A 62.7(4) 2_655 .
C8A C5A C7A 106.2(3) . .
C6A C5A C7A 61.1(5) . 2_655
C6A C5A C7A 106.5(3) 2_655 2_655
C8A C5A C7A 106.2(3) 2_655 2_655
C8A C5A C7A 62.7(4) . 2_655
C7A C5A C7A 155.9(11) . 2_655
C6A C5A C4A 118.3(5) . .
C6A C5A C4A 118.3(5) 2_655 .
C8A C5A C4A 115.6(5) 2_655 .
C8A C5A C4A 115.6(5) . .
C7A C5A C4A 102.1(5) . .
C7A C5A C4A 102.1(5) 2_655 .
C5A C6A H6A1 109.5 . .
C5A C6A H6A2 109.5 . .
H6A1 C6A H6A2 109.5 . .
C5A C6A H6A3 109.5 . .
H6A1 C6A H6A3 109.5 . .
H6A2 C6A H6A3 109.5 . .
C5A C7A H7A1 109.5 . .
C5A C7A H7A2 109.5 . .
H7A1 C7A H7A2 109.5 . .
C5A C7A H7A3 109.5 . .
H7A1 C7A H7A3 109.5 . .
H7A2 C7A H7A3 109.5 . .
C5A C8A H8A1 109.5 . .
C5A C8A H8A2 109.5 . .
H8A1 C8A H8A2 109.5 . .
C5A C8A H8A3 109.5 . .
H8A1 C8A H8A3 109.5 . .
H8A2 C8A H8A3 109.5 . .
N1A C9A C2A 109.0(4) . .
N1A C9A H9A1 109.9 . .
C2A C9A H9A1 109.9 . .
N1A C9A H9A2 109.9 . .
C2A C9A H9A2 109.9 . .
H9A1 C9A H9A2 108.3 . .
N1A C10A C15A 108.1(4) . .
N1A C10A C11A 112.8(4) . .
C15A C10A C11A 109.6(4) . .
N1A C10A H10A 108.8 . .
C15A C10A H10A 108.8 . .
C11A C10A H10A 108.8 . .
C10A C11A C12A 112.5(4) . .
C10A C11A H11A 109.1 . .
C12A C11A H11A 109.1 . .
C10A C11A H11B 109.1 . .
C12A C11A H11B 109.1 . .
H11A C11A H11B 107.8 . .
C11A C12A C13A 109.8(4) . .
C11A C12A H12A 109.7 . .
C13A C12A H12A 109.7 . .
C11A C12A H12B 109.7 . .
C13A C12A H12B 109.7 . .
H12A C12A H12B 108.2 . .
C14A C13A C12A 111.1(4) . .
C14A C13A H13A 109.4 . .
C12A C13A H13A 109.4 . .
C14A C13A H13B 109.4 . .
C12A C13A H13B 109.4 . .
H13A C13A H13B 108.0 . .
C13A C14A C15A 110.9(5) . .
C13A C14A H14A 109.5 . .
C15A C14A H14A 109.5 . .
C13A C14A H14B 109.5 . .
C15A C14A H14B 109.5 . .
H14A C14A H14B 108.0 . .
N2A C15A C10A 107.5(3) . .
N2A C15A C14A 113.9(4) . .
C10A C15A C14A 111.1(4) . .
N2A C15A H15A 108.0 . .
C10A C15A H15A 108.0 . .
C14A C15A H15A 108.0 . .
C17A C16A N2A 109.7(4) . .
C17A C16A H16A 109.7 . .
N2A C16A H16A 109.7 . .
C17A C16A H16B 109.7 . .
N2A C16A H16B 109.7 . .
H16A C16A H16B 108.2 . .
C18A C17A C22A 120.6(5) . .
C18A C17A C16A 118.3(5) . .
C22A C17A C16A 120.9(4) . .
C17A C18A C19A 122.5(5) . .
C17A C18A H18A 118.7 . .
C19A C18A H18A 118.7 . .
C18A C19A C20A 116.3(5) . .
C18A C19A C23A 121.7(5) . .
C20A C19A C23A 121.9(5) . .
C21A C20A C19A 121.9(5) . .
C21A C20A H20A 119.1 . .
C19A C20A H20A 119.1 . .
C22A C21A C20A 120.8(5) . .
C22A C21A C27A 120.7(4) . .
C20A C21A C27A 118.4(5) . .
O2A C22A C21A 121.8(4) . .
O2A C22A C17A 120.5(4) . .
C21A C22A C17A 117.7(4) . .
C19A C23A C24A 113.2(5) . .
C19A C23A C25Q 119.8(8) . .
C24A C23A C25Q 126.0(8) . .
C19A C23A C26Q 113.0(9) . .
C24A C23A C26Q 58.0(8) . .
C25Q C23A C26Q 106.9(3) . .
C19A C23A C25A 113.5(6) . .
C24A C23A C25A 107.0(3) . .
C25Q C23A C25A 42.1(7) . .
C26Q C23A C25A 133.1(10) . .
C19A C23A C24Q 102.7(10) . .
C24A C23A C24Q 49.3(8) . .
C25Q C23A C24Q 106.8(3) . .
C26Q C23A C24Q 106.6(3) . .
C25A C23A C24Q 68.0(7) . .
C19A C23A C26A 109.4(6) . .
C24A C23A C26A 106.9(3) . .
C25Q C23A C26A 65.2(7) . .
C26Q C23A C26A 51.6(7) . .
C25A C23A C26A 106.5(3) . .
C24Q C23A C26A 146.4(11) . .
C23A C24A H24A 109.5 . .
C23A C24A H24B 109.5 . .
H24A C24A H24B 109.5 . .
C23A C24A H24C 109.5 . .
H24A C24A H24C 109.5 . .
H24B C24A H24C 109.5 . .
C23A C25A H25A 109.5 . .
C23A C25A H25B 109.5 . .
H25A C25A H25B 109.5 . .
C23A C25A H25C 109.5 . .
H25A C25A H25C 109.5 . .
H25B C25A H25C 109.5 . .
C23A C26A H26A 109.5 . .
C23A C26A H26B 109.5 . .
H26A C26A H26B 109.5 . .
C23A C26A H26C 109.5 . .
H26A C26A H26C 109.5 . .
H26B C26A H26C 109.5 . .
C23A C24Q H24D 109.5 . .
C23A C24Q H24E 109.5 . .
H24D C24Q H24E 109.5 . .
C23A C24Q H24F 109.5 . .
H24D C24Q H24F 109.5 . .
H24E C24Q H24F 109.5 . .
C23A C25Q H25D 109.5 . .
C23A C25Q H25E 109.5 . .
H25D C25Q H25E 109.5 . .
C23A C25Q H25F 109.5 . .
H25D C25Q H25F 109.5 . .
H25E C25Q H25F 109.5 . .
C23A C26Q H26D 109.5 . .
C23A C26Q H26E 109.5 . .
H26D C26Q H26E 109.5 . .
C23A C26Q H26F 109.5 . .
H26D C26Q H26F 109.5 . .
H26E C26Q H26F 109.5 . .
N3A C27A C21A 109.7(4) . .
N3A C27A H27A 109.7 . .
C21A C27A H27A 109.7 . .
N3A C27A H27B 109.7 . .
C21A C27A H27B 109.7 . .
H27A C27A H27B 108.2 . .
N3A C28A C28A 107.3(3) . 2_655
N3A C28A C29A 113.8(4) . .
C28A C28A C29A 111.5(4) 2_655 .
N3A C28A H28A 108.0 . .
C28A C28A H28A 108.0 2_655 .
C29A C28A H28A 108.0 . .
C30A C29A C28A 113.4(5) . .
C30A C29A H29A 108.9 . .
C28A C29A H29A 108.9 . .
C30A C29A H29B 108.9 . .
C28A C29A H29B 108.9 . .
H29A C29A H29B 107.7 . .
C30A C30A C29A 110.9(5) 2_655 .
C30A C30A H30A 109.5 2_655 .
C29A C30A H30A 109.5 . .
C30A C30A H30B 109.5 2_655 .
C29A C30A H30B 109.5 . .
H30A C30A H30B 108.0 . .
O4A N4A O5A 120.00(15) . .
O4A N4A O6Q 120.16(14) . .
O5A N4A O6Q 108.3(7) . .
O4A N4A O5Q 119.86(14) . .
O5A N4A O5Q 34.7(6) . .
O6Q N4A O5Q 119.98(14) . .
O4A N4A O6A 119.63(14) . .
O5A N4A O6A 120.15(14) . .
O6Q N4A O6A 30.7(6) . .
O5Q N4A O6A 111.9(7) . .
N4A O4A Dy1A 142.9(2) . .
C1MA O1MA Dy2A 127.9(4) . .
C1MA O1MA H1MA 109.5 . .
Dy2A O1MA H1MA 101.9 . .
O1MA C1MA H1M3 109.5 . .
O1MA C1MA H1M4 109.5 . .
H1M3 C1MA H1M4 109.5 . .
O1MA C1MA H1M5 109.5 . .
H1M3 C1MA H1M5 109.5 . .
H1M4 C1MA H1M5 109.5 . .
O4B Dy1B O3B 131.63(13) . 2_556
O4B Dy1B O1B 99.60(9) . .
O3B Dy1B O1B 74.98(10) 2_556 .
O4B Dy1B O3B 71.46(12) . .
O3B Dy1B O3B 60.67(13) 2_556 .
O1B Dy1B O3B 74.55(10) . .
O4B Dy1B O2B 86.89(14) . .
O3B Dy1B O2B 74.95(11) 2_556 .
O1B Dy1B O2B 144.69(12) . .
O3B Dy1B O2B 74.82(11) . .
O4B Dy1B O1WB 152.25(14) . .
O3B Dy1B O1WB 75.85(11) 2_556 .
O1B Dy1B O1WB 82.57(9) . .
O3B Dy1B O1WB 134.59(11) . .
O2B Dy1B O1WB 107.40(12) . .
O4B Dy1B N2B 81.43(12) . .
O3B Dy1B N2B 132.30(12) 2_556 .
O1B Dy1B N2B 141.15(13) . .
O3B Dy1B N2B 139.38(13) . .
O2B Dy1B N2B 74.02(13) . .
O1WB Dy1B N2B 79.98(13) . .
O4B Dy1B N1B 76.49(16) . .
O3B Dy1B N1B 141.89(13) 2_556 .
O1B Dy1B N1B 75.07(12) . .
O3B Dy1B N1B 130.71(12) . .
O2B Dy1B N1B 139.68(13) . .
O1WB Dy1B N1B 77.41(14) . .
N2B Dy1B N1B 67.39(13) . .
O4B Dy1B Dy2B 96.68(12) . .
O3B Dy1B Dy2B 41.42(8) 2_556 .
O1B Dy1B Dy2B 102.01(8) . .
O3B Dy1B Dy2B 41.49(8) . .
O2B Dy1B Dy2B 42.69(8) . .
O1WB Dy1B Dy2B 110.02(9) . .
N2B Dy1B Dy2B 116.53(10) . .
N1B Dy1B Dy2B 171.82(10) . .
O4B Dy1B Dy1B 103.13(8) . 2_556
O3B Dy1B Dy1B 42.05(8) 2_556 2_556
O1B Dy1B Dy1B 42.02(8) . 2_556
O3B Dy1B Dy1B 41.54(7) . 2_556
O2B Dy1B Dy1B 102.67(8) . 2_556
O1WB Dy1B Dy1B 96.88(8) . 2_556
N2B Dy1B Dy1B 174.34(9) . 2_556
N1B Dy1B Dy1B 116.70(9) . 2_556
Dy2B Dy1B Dy1B 59.989(8) . 2_556
O3B Dy2B O3B 61.09(15) 2_556 .
O3B Dy2B O7B 138.99(12) 2_556 .
O3B Dy2B O7B 80.24(12) . .
O3B Dy2B O7B 80.24(12) 2_556 2_556
O3B Dy2B O7B 138.99(12) . 2_556
O7B Dy2B O7B 140.29(18) . 2_556
O3B Dy2B O2B 74.90(11) 2_556 2_556
O3B Dy2B O2B 74.60(11) . 2_556
O7B Dy2B O2B 82.52(13) . 2_556
O7B Dy2B O2B 109.74(13) 2_556 2_556
O3B Dy2B O2B 74.60(11) 2_556 .
O3B Dy2B O2B 74.90(11) . .
O7B Dy2B O2B 109.74(13) . .
O7B Dy2B O2B 82.52(13) 2_556 .
O2B Dy2B O2B 144.43(16) 2_556 .
O3B Dy2B N3B 140.31(13) 2_556 .
O3B Dy2B N3B 132.04(14) . .
O7B Dy2B N3B 75.95(14) . .
O7B Dy2B N3B 71.05(14) 2_556 .
O2B Dy2B N3B 140.30(14) 2_556 .
O2B Dy2B N3B 74.99(14) . .
O3B Dy2B N3B 132.04(14) 2_556 2_556
O3B Dy2B N3B 140.31(13) . 2_556
O7B Dy2B N3B 71.05(14) . 2_556
O7B Dy2B N3B 75.95(14) 2_556 2_556
O2B Dy2B N3B 74.99(14) 2_556 2_556
O2B Dy2B N3B 140.30(14) . 2_556
N3B Dy2B N3B 66.6(2) . 2_556
O3B Dy2B Dy1B 42.06(8) 2_556 2_556
O3B Dy2B Dy1B 41.49(7) . 2_556
O7B Dy2B Dy1B 99.65(9) . 2_556
O7B Dy2B Dy1B 114.87(9) 2_556 2_556
O2B Dy2B Dy1B 42.21(8) 2_556 2_556
O2B Dy2B Dy1B 102.23(8) . 2_556
N3B Dy2B Dy1B 173.33(11) . 2_556
N3B Dy2B Dy1B 116.99(12) 2_556 2_556
O3B Dy2B Dy1B 41.49(7) 2_556 .
O3B Dy2B Dy1B 42.06(8) . .
O7B Dy2B Dy1B 114.87(9) . .
O7B Dy2B Dy1B 99.65(9) 2_556 .
O2B Dy2B Dy1B 102.23(8) 2_556 .
O2B Dy2B Dy1B 42.21(8) . .
N3B Dy2B Dy1B 116.99(12) . .
N3B Dy2B Dy1B 173.33(11) 2_556 .
Dy1B Dy2B Dy1B 60.022(17) 2_556 .
C1B O1B Dy1B 132.02(8) . 2_556
C1B O1B Dy1B 132.02(8) . .
Dy1B O1B Dy1B 95.97(16) 2_556 .
C22B O2B Dy1B 132.6(3) . .
C22B O2B Dy2B 132.2(3) . .
Dy1B O2B Dy2B 95.11(11) . .
Dy2B O3B Dy1B 97.09(11) . 2_556
Dy2B O3B Dy1B 96.45(11) . .
Dy1B O3B Dy1B 96.41(11) 2_556 .
Dy2B O3B H3B 120.4 . .
Dy1B O3B H3B 120.4 2_556 .
Dy1B O3B H3B 120.4 . .
C10B N1B C9B 112.5(4) . .
C10B N1B Dy1B 115.0(3) . .
C9B N1B Dy1B 107.4(3) . .
C10B N1B H1B 107.1 . .
C9B N1B H1B 107.1 . .
Dy1B N1B H1B 107.1 . .
C15B N2B C16B 113.8(4) . .
C15B N2B Dy1B 116.6(3) . .
C16B N2B Dy1B 106.9(3) . .
C15B N2B H2B 106.2 . .
C16B N2B H2B 106.2 . .
Dy1B N2B H2B 106.2 . .
C28B N3B C27B 113.6(4) . .
C28B N3B Dy2B 116.7(4) . .
C27B N3B Dy2B 107.9(3) . .
C28B N3B H3B1 106.0 . .
C27B N3B H3B1 106.0 . .
Dy2B N3B H3B1 106.0 . .
O1B C1B C2B 120.3(4) . 2_556
O1B C1B C2B 120.3(4) . .
C2B C1B C2B 119.4(7) 2_556 .
C3B C2B C1B 118.1(6) . .
C3B C2B C9B 120.5(5) . .
C1B C2B C9B 121.2(5) . .
C4B C3B C2B 124.5(8) . .
C4B C3B H3B2 117.8 . .
C2B C3B H3B2 117.8 . .
C3B C4B C3B 115.4(13) . 2_556
C3B C4B C5B 122.3(6) . .
C3B C4B C5B 122.3(6) 2_556 .
C4B C5B C8B 120.1(8) . 2_556
C4B C5B C8B 120.1(8) . .
C8B C5B C8B 119.8(16) 2_556 .
C4B C5B C6B 113.4(8) . 2_556
C8B C5B C6B 107.0(3) 2_556 2_556
C8B C5B C6B 46.4(7) . 2_556
C4B C5B C6B 113.4(8) . .
C8B C5B C6B 46.4(7) 2_556 .
C8B C5B C6B 107.0(3) . .
C6B C5B C6B 133.2(15) 2_556 .
C4B C5B C7B 102.3(7) . .
C8B C5B C7B 60.1(7) 2_556 .
C8B C5B C7B 106.6(3) . .
C6B C5B C7B 63.2(6) 2_556 .
C6B C5B C7B 106.4(3) . .
C4B C5B C7B 102.3(7) . 2_556
C8B C5B C7B 106.6(3) 2_556 2_556
C8B C5B C7B 60.1(7) . 2_556
C6B C5B C7B 106.4(3) 2_556 2_556
C6B C5B C7B 63.2(6) . 2_556
C7B C5B C7B 155.4(15) . 2_556
C5B C6B H6B1 109.5 . .
C5B C6B H6B2 109.5 . .
H6B1 C6B H6B2 109.5 . .
C5B C6B H6B3 109.5 . .
H6B1 C6B H6B3 109.5 . .
H6B2 C6B H6B3 109.5 . .
C5B C7B H7B1 109.5 . .
C5B C7B H7B2 109.5 . .
H7B1 C7B H7B2 109.5 . .
C5B C7B H7B3 109.5 . .
H7B1 C7B H7B3 109.5 . .
H7B2 C7B H7B3 109.5 . .
C5B C8B H8B1 109.5 . .
C5B C8B H8B2 109.5 . .
H8B1 C8B H8B2 109.5 . .
C5B C8B H8B3 109.5 . .
H8B1 C8B H8B3 109.5 . .
H8B2 C8B H8B3 109.5 . .
C2B C9B N1B 107.4(5) . .
C2B C9B H9B1 110.2 . .
N1B C9B H9B1 110.2 . .
C2B C9B H9B2 110.2 . .
N1B C9B H9B2 110.2 . .
H9B1 C9B H9B2 108.5 . .
N1B C10B C15B 107.1(4) . .
N1B C10B C11B 113.0(4) . .
C15B C10B C11B 110.5(4) . .
N1B C10B H10B 108.7 . .
C15B C10B H10B 108.7 . .
C11B C10B H10B 108.7 . .
C12B C11B C10B 110.7(4) . .
C12B C11B H11C 109.5 . .
C10B C11B H11C 109.5 . .
C12B C11B H11D 109.5 . .
C10B C11B H11D 109.5 . .
H11C C11B H11D 108.1 . .
C13B C12B C11B 110.8(4) . .
C13B C12B H12C 109.5 . .
C11B C12B H12C 109.5 . .
C13B C12B H12D 109.5 . .
C11B C12B H12D 109.5 . .
H12C C12B H12D 108.1 . .
C12B C13B C14B 111.0(4) . .
C12B C13B H13C 109.4 . .
C14B C13B H13C 109.4 . .
C12B C13B H13D 109.4 . .
C14B C13B H13D 109.4 . .
H13C C13B H13D 108.0 . .
C13B C14B C15B 111.6(4) . .
C13B C14B H14C 109.3 . .
C15B C14B H14C 109.3 . .
C13B C14B H14D 109.3 . .
C15B C14B H14D 109.3 . .
H14C C14B H14D 108.0 . .
N2B C15B C10B 108.7(4) . .
N2B C15B C14B 113.5(4) . .
C10B C15B C14B 109.9(4) . .
N2B C15B H15B 108.2 . .
C10B C15B H15B 108.2 . .
C14B C15B H15B 108.2 . .
N2B C16B C17B 108.9(4) . .
N2B C16B H16C 109.9 . .
C17B C16B H16C 109.9 . .
N2B C16B H16D 109.9 . .
C17B C16B H16D 109.9 . .
H16C C16B H16D 108.3 . .
C22B C17B C18B 120.3(5) . .
C22B C17B C16B 119.1(4) . .
C18B C17B C16B 120.5(5) . .
C19B C18B C17B 123.5(5) . .
C19B C18B H18B 118.2 . .
C17B C18B H18B 118.2 . .
C18B C19B C20B 115.8(5) . .
C18B C19B C23B 122.0(5) . .
C20B C19B C23B 122.1(5) . .
C21B C20B C19B 122.4(6) . .
C21B C20B H20B 118.8 . .
C19B C20B H20B 118.8 . .
C20B C21B C22B 120.1(5) . .
C20B C21B C27B 119.8(5) . .
C22B C21B C27B 120.0(4) . .
O2B C22B C17B 121.5(4) . .
O2B C22B C21B 120.6(4) . .
C17B C22B C21B 117.9(4) . .
C19B C23B C26E 118.7(11) . .
C19B C23B C24B 115.2(6) . .
C26E C23B C24B 124.8(11) . .
C19B C23B C24E 112.7(11) . .
C26E C23B C24E 106.8(3) . .
C24B C23B C24E 38.0(10) . .
C19B C23B C25B 110.5(7) . .
C26E C23B C25B 64.5(9) . .
C24B C23B C25B 106.8(3) . .
C24E C23B C25B 133.7(12) . .
C19B C23B C25E 104.4(11) . .
C26E C23B C25E 106.8(3) . .
C24B C23B C25E 69.4(10) . .
C24E C23B C25E 106.7(3) . .
C25B C23B C25E 45.5(9) . .
C19B C23B C26B 110.5(7) . .
C26E C23B C26B 42.8(9) . .
C24B C23B C26B 106.8(3) . .
C24E C23B C26B 72.9(9) . .
C25B C23B C26B 106.7(3) . .
C25E C23B C26B 142.2(11) . .
C23B C24B H24G 109.5 . .
C23B C24B H24H 109.5 . .
H24G C24B H24H 109.5 . .
C23B C24B H24I 109.5 . .
H24G C24B H24I 109.5 . .
H24H C24B H24I 109.5 . .
C23B C25B H25G 109.5 . .
C23B C25B H25H 109.5 . .
H25G C25B H25H 109.5 . .
C23B C25B H25I 109.5 . .
H25G C25B H25I 109.5 . .
H25H C25B H25I 109.5 . .
C23B C26B H26G 109.5 . .
C23B C26B H26H 109.5 . .
H26G C26B H26H 109.5 . .
C23B C26B H26I 109.5 . .
H26G C26B H26I 109.5 . .
H26H C26B H26I 109.5 . .
C23B C24E H24J 109.5 . .
C23B C24E H24K 109.5 . .
H24J C24E H24K 109.5 . .
C23B C24E H24L 109.5 . .
H24J C24E H24L 109.5 . .
H24K C24E H24L 109.5 . .
C23B C25E H25J 109.5 . .
C23B C25E H25K 109.5 . .
H25J C25E H25K 109.5 . .
C23B C25E H25L 109.5 . .
H25J C25E H25L 109.5 . .
H25K C25E H25L 109.5 . .
C23B C26E H26J 109.5 . .
C23B C26E H26K 109.5 . .
H26J C26E H26K 109.5 . .
C23B C26E H26L 109.5 . .
H26J C26E H26L 109.5 . .
H26K C26E H26L 109.5 . .
N3B C27B C21B 109.1(4) . .
N3B C27B H27C 109.9 . .
C21B C27B H27C 109.9 . .
N3B C27B H27D 109.9 . .
C21B C27B H27D 109.9 . .
H27C C27B H27D 108.3 . .
N3B C28B C29B 114.0(6) . .
N3B C28B C28B 107.5(4) . 2_556
C29B C28B C28B 110.1(5) . 2_556
N3B C28B H28B 108.4 . .
C29B C28B H28B 108.4 . .
C28B C28B H28B 108.4 2_556 .
C30B C29B C28B 112.3(7) . .
C30B C29B H29C 109.1 . .
C28B C29B H29C 109.1 . .
C30B C29B H29D 109.1 . .
C28B C29B H29D 109.1 . .
H29C C29B H29D 107.9 . .
C29B C30B C30B 110.7(6) . 2_556
C29B C30B H30C 109.5 . .
C30B C30B H30C 109.5 2_556 .
C29B C30B H30D 109.5 . .
C30B C30B H30D 109.5 2_556 .
H30C C30B H30D 108.1 . .
O6B N4B O5B 120.34(14) . .
O6B N4B O5E 111.5(6) . .
O5B N4B O5E 32.2(5) . .
O6B N4B O6E 28.1(6) . .
O5B N4B O6E 111.8(6) . .
O5E N4B O6E 120.13(14) . .
O6B N4B O4B 119.81(14) . .
O5B N4B O4B 119.82(14) . .
O5E N4B O4B 119.92(14) . .
O6E N4B O4B 119.89(14) . .
N4B O4B Dy1B 145.1(2) . .
O9B N5B O8B 119.7(4) . .
O9B N5B O7B 120.7(4) . .
O8B N5B O7B 119.4(4) . .
N5B O7B Dy2B 133.5(3) . .
O12 N6 O10 121.7(4) . .
O12 N6 O11 119.4(5) . .
O10 N6 O11 118.8(5) . .
C2M O2M H2M 109.5 . .
O2M C2M H2M1 109.5 . .
O2M C2M H2M2 109.5 . .
H2M1 C2M H2M2 109.5 . .
O2M C2M H2M3 109.5 . .
H2M1 C2M H2M3 109.5 . .
H2M2 C2M H2M3 109.5 . .
C3M O3M H3M 109.5 . .
O3M C3M H3M1 109.5 . .
O3M C3M H3M2 109.5 . .
H3M1 C3M H3M2 109.5 . .
O3M C3M H3M3 109.5 . .
H3M1 C3M H3M3 109.5 . .
H3M2 C3M H3M3 109.5 . .
C4M O4M H4M 109.5 . .
O4M C4M H4M1 109.5 . .
O4M C4M H4M2 109.5 . .
H4M1 C4M H4M2 109.5 . .
O4M C4M H4M3 109.5 . .
H4M1 C4M H4M3 109.5 . .
H4M2 C4M H4M3 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1A O3A 2.352(3) 2_655
Dy1A O3A 2.357(3) .
Dy1A O1WA 2.380(3) .
Dy1A O4A 2.382(3) .
Dy1A O1A 2.391(3) .
Dy1A O2A 2.403(3) .
Dy1A N1A 2.470(4) .
Dy1A N2A 2.521(3) .
Dy1A Dy1A 3.5125(14) 2_655
Dy1A Dy2A 3.5404(7) .
Dy2A O3A 2.363(3) 2_655
Dy2A O3A 2.363(3) .
Dy2A O2A 2.377(3) 2_655
Dy2A O2A 2.377(3) .
Dy2A O1MA 2.401(3) 2_655
Dy2A O1MA 2.401(3) .
Dy2A N3A 2.526(4) 2_655
Dy2A N3A 2.526(4) .
Dy2A Dy1A 3.5404(7) 2_655
O1A C1A 1.379(7) .
O1A Dy1A 2.391(3) 2_655
O2A C22A 1.370(5) .
O3A Dy1A 2.352(3) 2_655
O3A H3A 1.0000 .
N1A C10A 1.482(6) .
N1A C9A 1.490(6) .
N1A H1A 0.9300 .
N2A C15A 1.487(6) .
N2A C16A 1.496(6) .
N2A H2A 0.9300 .
N3A C28A 1.470(6) .
N3A C27A 1.483(6) .
N3A H3A1 0.9300 .
C1A C2A 1.395(5) .
C1A C2A 1.395(5) 2_655
C2A C3A 1.388(7) .
C2A C9A 1.494(7) .
C3A C4A 1.378(6) .
C3A H3A2 0.9500 .
C4A C3A 1.378(6) 2_655
C4A C5A 1.542(9) .
C5A C6A 1.524(2) .
C5A C6A 1.524(2) 2_655
C5A C8A 1.530(2) 2_655
C5A C8A 1.530(2) .
C5A C7A 1.539(2) .
C5A C7A 1.539(2) 2_655
C6A H6A1 0.9800 .
C6A H6A2 0.9800 .
C6A H6A3 0.9800 .
C7A H7A1 0.9800 .
C7A H7A2 0.9800 .
C7A H7A3 0.9800 .
C8A H8A1 0.9800 .
C8A H8A2 0.9800 .
C8A H8A3 0.9800 .
C9A H9A1 0.9900 .
C9A H9A2 0.9900 .
C10A C15A 1.519(6) .
C10A C11A 1.530(7) .
C10A H10A 1.0000 .
C11A C12A 1.534(7) .
C11A H11A 0.9900 .
C11A H11B 0.9900 .
C12A C13A 1.536(8) .
C12A H12A 0.9900 .
C12A H12B 0.9900 .
C13A C14A 1.533(8) .
C13A H13A 0.9900 .
C13A H13B 0.9900 .
C14A C15A 1.539(7) .
C14A H14A 0.9900 .
C14A H14B 0.9900 .
C15A H15A 1.0000 .
C16A C17A 1.494(7) .
C16A H16A 0.9900 .
C16A H16B 0.9900 .
C17A C18A 1.378(7) .
C17A C22A 1.411(7) .
C18A C19A 1.391(8) .
C18A H18A 0.9500 .
C19A C20A 1.402(8) .
C19A C23A 1.513(7) .
C20A C21A 1.398(7) .
C20A H20A 0.9500 .
C21A C22A 1.380(7) .
C21A C27A 1.506(7) .
C23A C24A 1.525(2) .
C23A C25Q 1.527(2) .
C23A C26Q 1.530(2) .
C23A C25A 1.531(2) .
C23A C24Q 1.531(2) .
C23A C26A 1.532(2) .
C24A H24A 0.9800 .
C24A H24B 0.9800 .
C24A H24C 0.9800 .
C25A H25A 0.9800 .
C25A H25B 0.9800 .
C25A H25C 0.9800 .
C26A H26A 0.9800 .
C26A H26B 0.9800 .
C26A H26C 0.9800 .
C24Q H24D 0.9800 .
C24Q H24E 0.9800 .
C24Q H24F 0.9800 .
C25Q H25D 0.9800 .
C25Q H25E 0.9800 .
C25Q H25F 0.9800 .
C26Q H26D 0.9800 .
C26Q H26E 0.9800 .
C26Q H26F 0.9800 .
C27A H27A 0.9900 .
C27A H27B 0.9900 .
C28A C28A 1.529(11) 2_655
C28A C29A 1.534(8) .
C28A H28A 1.0000 .
C29A C30A 1.527(9) .
C29A H29A 0.9900 .
C29A H29B 0.9900 .
C30A C30A 1.487(14) 2_655
C30A H30A 0.9900 .
C30A H30B 0.9900 .
N4A O4A 1.241(2) .
N4A O5A 1.241(2) .
N4A O6Q 1.241(2) .
N4A O5Q 1.242(2) .
N4A O6A 1.243(2) .
O1MA C1MA 1.415(4) .
O1MA H1MA 0.8400 .
C1MA H1M3 0.9800 .
C1MA H1M4 0.9800 .
C1MA H1M5 0.9800 .
Dy1B O4B 2.339(3) .
Dy1B O3B 2.349(3) 2_556
Dy1B O1B 2.369(3) .
Dy1B O3B 2.373(3) .
Dy1B O2B 2.374(3) .
Dy1B O1WB 2.387(4) .
Dy1B N2B 2.474(4) .
Dy1B N1B 2.505(4) .
Dy1B Dy2B 3.5192(6) .
Dy1B Dy1B 3.5204(9) 2_556
Dy2B O3B 2.346(3) 2_556
Dy2B O3B 2.346(3) .
Dy2B O7B 2.381(4) .
Dy2B O7B 2.381(4) 2_556
Dy2B O2B 2.396(3) 2_556
Dy2B O2B 2.396(3) .
Dy2B N3B 2.500(4) .
Dy2B N3B 2.500(4) 2_556
Dy2B Dy1B 3.5192(6) 2_556
O1B C1B 1.373(8) .
O1B Dy1B 2.369(3) 2_556
O2B C22B 1.366(5) .
O3B Dy1B 2.349(3) 2_556
O3B H3B 1.0000 .
N1B C10B 1.490(6) .
N1B C9B 1.512(7) .
N1B H1B 0.9300 .
N2B C15B 1.472(6) .
N2B C16B 1.477(6) .
N2B H2B 0.9300 .
N3B C28B 1.443(7) .
N3B C27B 1.490(8) .
N3B H3B1 0.9300 .
C1B C2B 1.410(7) 2_556
C1B C2B 1.410(7) .
C2B C3B 1.390(9) .
C2B C9B 1.493(8) .
C3B C4B 1.377(11) .
C3B H3B2 0.9500 .
C4B C3B 1.377(11) 2_556
C4B C5B 1.492(19) .
C5B C8B 1.527(2) 2_556
C5B C8B 1.527(2) .
C5B C6B 1.529(2) 2_556
C5B C6B 1.529(2) .
C5B C7B 1.535(2) .
C5B C7B 1.535(2) 2_556
C6B H6B1 0.9800 .
C6B H6B2 0.9800 .
C6B H6B3 0.9800 .
C7B H7B1 0.9800 .
C7B H7B2 0.9800 .
C7B H7B3 0.9800 .
C8B H8B1 0.9800 .
C8B H8B2 0.9800 .
C8B H8B3 0.9800 .
C9B H9B1 0.9900 .
C9B H9B2 0.9900 .
C10B C15B 1.525(7) .
C10B C11B 1.544(7) .
C10B H10B 1.0000 .
C11B C12B 1.541(7) .
C11B H11C 0.9900 .
C11B H11D 0.9900 .
C12B C13B 1.508(7) .
C12B H12C 0.9900 .
C12B H12D 0.9900 .
C13B C14B 1.514(7) .
C13B H13C 0.9900 .
C13B H13D 0.9900 .
C14B C15B 1.535(7) .
C14B H14C 0.9900 .
C14B H14D 0.9900 .
C15B H15B 1.0000 .
C16B C17B 1.502(7) .
C16B H16C 0.9900 .
C16B H16D 0.9900 .
C17B C22B 1.390(7) .
C17B C18B 1.400(7) .
C18B C19B 1.371(8) .
C18B H18B 0.9500 .
C19B C20B 1.413(9) .
C19B C23B 1.508(7) .
C20B C21B 1.393(8) .
C20B H20B 0.9500 .
C21B C22B 1.413(7) .
C21B C27B 1.495(8) .
C23B C26E 1.528(2) .
C23B C24B 1.529(2) .
C23B C24E 1.530(2) .
C23B C25B 1.530(2) .
C23B C25E 1.530(2) .
C23B C26B 1.531(2) .
C24B H24G 0.9800 .
C24B H24H 0.9800 .
C24B H24I 0.9800 .
C25B H25G 0.9800 .
C25B H25H 0.9800 .
C25B H25I 0.9800 .
C26B H26G 0.9800 .
C26B H26H 0.9800 .
C26B H26I 0.9800 .
C24E H24J 0.9800 .
C24E H24K 0.9800 .
C24E H24L 0.9800 .
C25E H25J 0.9800 .
C25E H25K 0.9800 .
C25E H25L 0.9800 .
C26E H26J 0.9800 .
C26E H26K 0.9800 .
C26E H26L 0.9800 .
C27B H27C 0.9900 .
C27B H27D 0.9900 .
C28B C29B 1.543(8) .
C28B C28B 1.567(14) 2_556
C28B H28B 1.0000 .
C29B C30B 1.540(11) .
C29B H29C 0.9900 .
C29B H29D 0.9900 .
C30B C30B 1.56(2) 2_556
C30B H30C 0.9900 .
C30B H30D 0.9900 .
N4B O6B 1.241(2) .
N4B O5B 1.241(2) .
N4B O5E 1.241(2) .
N4B O6E 1.241(2) .
N4B O4B 1.242(2) .
N5B O9B 1.238(2) .
N5B O8B 1.241(2) .
N5B O7B 1.241(2) .
N6 O12 1.232(6) .
N6 O10 1.247(6) .
N6 O11 1.265(5) .
O2M C2M 1.414(4) .
O2M H2M 0.8400 .
C2M H2M1 0.9800 .
C2M H2M2 0.9800 .
C2M H2M3 0.9800 .
O3M C3M 1.414(4) .
O3M H3M 0.8400 .
C3M H3M1 0.9800 .
C3M H3M2 0.9800 .
C3M H3M3 0.9800 .
O4M C4M 1.414(4) .
O4M H4M 0.8400 .
C4M H4M1 0.9800 .
C4M H4M2 0.9800 .
C4M H4M3 0.9800 .
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
O3A H3A O6A 1.00 2.13 2.940(8) 136 .
O3A H3A O6Q 1.00 1.99 2.826(7) 140 .
O3A H3A O11 1.00 2.29 3.008(5) 128 2_655
N3A H3A1 O4M 0.93 2.49 3.362(7) 156 4
O1MA H1MA O11 0.84 1.85 2.688(6) 174 .
O3B H3B O8B 1.00 2.27 2.966(6) 126 .
O3B H3B O3M 1.00 2.32 3.144(5) 139 2_556
N2B H2B O5B 0.93 2.28 3.102(9) 148 .
N2B H2B O5E 0.93 2.24 3.020(7) 141 .
O2M H2M O9B 0.84 2.00 2.802(7) 158 .
O3M H3M O4B 0.84 2.18 2.890(5) 142 2_556
O3M H3M O6B 0.84 2.26 3.058(8) 158 2_556
O3M H3M O6E 0.84 2.22 3.013(7) 158 2_556
O4M H4M O5Q 0.84 2.56 3.01(2) 114 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O3A Dy1A Dy2A O3A 98.80(16) . 2_655
O1WA Dy1A Dy2A O3A -59.22(14) . 2_655
O4A Dy1A Dy2A O3A 136.08(15) . 2_655
O1A Dy1A Dy2A O3A 49.49(11) . 2_655
O2A Dy1A Dy2A O3A -131.63(16) . 2_655
N1A Dy1A Dy2A O3A -3.3(9) . 2_655
N2A Dy1A Dy2A O3A -140.40(14) . 2_655
Dy1A Dy1A Dy2A O3A 49.49(11) 2_655 2_655
O3A Dy1A Dy2A O3A -98.80(16) 2_655 .
O1WA Dy1A Dy2A O3A -158.02(14) . .
O4A Dy1A Dy2A O3A 37.28(15) . .
O1A Dy1A Dy2A O3A -49.32(11) . .
O2A Dy1A Dy2A O3A 129.57(16) . .
N1A Dy1A Dy2A O3A -102.1(9) . .
N2A Dy1A Dy2A O3A 120.80(14) . .
Dy1A Dy1A Dy2A O3A -49.32(11) 2_655 .
O3A Dy1A Dy2A O2A -48.72(13) 2_655 2_655
O3A Dy1A Dy2A O2A 50.09(14) . 2_655
O1WA Dy1A Dy2A O2A -107.94(12) . 2_655
O4A Dy1A Dy2A O2A 87.37(13) . 2_655
O1A Dy1A Dy2A O2A 0.77(8) . 2_655
O2A Dy1A Dy2A O2A 179.65(3) . 2_655
N1A Dy1A Dy2A O2A -52.0(9) . 2_655
N2A Dy1A Dy2A O2A 170.89(12) . 2_655
Dy1A Dy1A Dy2A O2A 0.77(8) 2_655 2_655
O3A Dy1A Dy2A O2A 131.63(16) 2_655 .
O3A Dy1A Dy2A O2A -129.57(16) . .
O1WA Dy1A Dy2A O2A 72.41(14) . .
O4A Dy1A Dy2A O2A -92.29(15) . .
O1A Dy1A Dy2A O2A -178.88(11) . .
N1A Dy1A Dy2A O2A 128.3(9) . .
N2A Dy1A Dy2A O2A -8.77(14) . .
Dy1A Dy1A Dy2A O2A -178.88(11) 2_655 .
O3A Dy1A Dy2A O1MA -154.68(14) 2_655 2_655
O3A Dy1A Dy2A O1MA -55.88(14) . 2_655
O1WA Dy1A Dy2A O1MA 146.10(12) . 2_655
O4A Dy1A Dy2A O1MA -18.60(14) . 2_655
O1A Dy1A Dy2A O1MA -105.19(9) . 2_655
O2A Dy1A Dy2A O1MA 73.69(15) . 2_655
N1A Dy1A Dy2A O1MA -158.0(9) . 2_655
N2A Dy1A Dy2A O1MA 64.92(13) . 2_655
Dy1A Dy1A Dy2A O1MA -105.19(9) 2_655 2_655
O3A Dy1A Dy2A O1MA 40.71(14) 2_655 .
O3A Dy1A Dy2A O1MA 139.51(14) . .
O1WA Dy1A Dy2A O1MA -18.51(12) . .
O4A Dy1A Dy2A O1MA 176.79(14) . .
O1A Dy1A Dy2A O1MA 90.19(9) . .
O2A Dy1A Dy2A O1MA -90.92(15) . .
N1A Dy1A Dy2A O1MA 37.4(9) . .
N2A Dy1A Dy2A O1MA -99.69(13) . .
Dy1A Dy1A Dy2A O1MA 90.19(9) 2_655 .
O3A Dy1A Dy2A N3A -109.2(8) 2_655 2_655
O3A Dy1A Dy2A N3A -10.4(8) . 2_655
O1WA Dy1A Dy2A N3A -168.4(8) . 2_655
O4A Dy1A Dy2A N3A 26.9(8) . 2_655
O1A Dy1A Dy2A N3A -59.7(8) . 2_655
O2A Dy1A Dy2A N3A 119.2(8) . 2_655
N1A Dy1A Dy2A N3A -112.5(12) . 2_655
N2A Dy1A Dy2A N3A 110.4(8) . 2_655
Dy1A Dy1A Dy2A N3A -59.7(8) 2_655 2_655
O3A Dy1A Dy2A N3A 124.13(15) 2_655 .
O3A Dy1A Dy2A N3A -137.06(15) . .
O1WA Dy1A Dy2A N3A 64.91(13) . .
O4A Dy1A Dy2A N3A -99.78(14) . .
O1A Dy1A Dy2A N3A 173.62(10) . .
O2A Dy1A Dy2A N3A -7.50(15) . .
N1A Dy1A Dy2A N3A 120.8(9) . .
N2A Dy1A Dy2A N3A -16.26(13) . .
Dy1A Dy1A Dy2A N3A 173.62(10) 2_655 .
O3A Dy1A Dy2A Dy1A -49.49(11) 2_655 2_655
O3A Dy1A Dy2A Dy1A 49.32(11) . 2_655
O1WA Dy1A Dy2A Dy1A -108.71(9) . 2_655
O4A Dy1A Dy2A Dy1A 86.60(10) . 2_655
O1A Dy1A Dy2A Dy1A 0.0 . 2_655
O2A Dy1A Dy2A Dy1A 178.88(11) . 2_655
N1A Dy1A Dy2A Dy1A -52.8(9) . 2_655
N2A Dy1A Dy2A Dy1A 170.12(9) . 2_655
O3A Dy1A O1A C1A -148.67(7) 2_655 .
O3A Dy1A O1A C1A 148.73(7) . .
O1WA Dy1A O1A C1A -77.86(9) . .
O4A Dy1A O1A C1A 69.06(8) . .
O2A Dy1A O1A C1A 178.70(13) . .
N1A Dy1A O1A C1A -4.77(9) . .
N2A Dy1A O1A C1A 13.30(12) . .
Dy1A Dy1A O1A C1A 180.0 2_655 .
Dy2A Dy1A O1A C1A 180.0 . .
O3A Dy1A O1A Dy1A 31.33(7) 2_655 2_655
O3A Dy1A O1A Dy1A -31.27(7) . 2_655
O1WA Dy1A O1A Dy1A 102.14(9) . 2_655
O4A Dy1A O1A Dy1A -110.94(8) . 2_655
O2A Dy1A O1A Dy1A -1.30(13) . 2_655
N1A Dy1A O1A Dy1A 175.23(9) . 2_655
N2A Dy1A O1A Dy1A -166.70(12) . 2_655
Dy2A Dy1A O1A Dy1A 0.0 . 2_655
O3A Dy2A O2A C22A -148.5(4) 2_655 .
O3A Dy2A O2A C22A 148.9(4) . .
O2A Dy2A O2A C22A -179.7(4) 2_655 .
O1MA Dy2A O2A C22A 72.7(3) 2_655 .
O1MA Dy2A O2A C22A -77.7(4) . .
N3A Dy2A O2A C22A 9.9(4) 2_655 .
N3A Dy2A O2A C22A -6.1(3) . .
Dy1A Dy2A O2A C22A -179.1(4) . .
Dy1A Dy2A O2A C22A 179.9(3) 2_655 .
O3A Dy2A O2A Dy1A 30.66(10) 2_655 .
O3A Dy2A O2A Dy1A -31.92(10) . .
O2A Dy2A O2A Dy1A -0.58(6) 2_655 .
O1MA Dy2A O2A Dy1A -108.12(13) 2_655 .
O1MA Dy2A O2A Dy1A 101.45(13) . .
N3A Dy2A O2A Dy1A -170.97(14) 2_655 .
N3A Dy2A O2A Dy1A 173.09(14) . .
Dy1A Dy2A O2A Dy1A -0.98(10) 2_655 .
O3A Dy1A O2A C22A 148.3(4) 2_655 .
O3A Dy1A O2A C22A -148.8(4) . .
O1WA Dy1A O2A C22A 70.9(3) . .
O4A Dy1A O2A C22A -77.3(3) . .
O1A Dy1A O2A C22A -179.0(3) . .
N1A Dy1A O2A C22A 6.4(4) . .
N2A Dy1A O2A C22A -8.9(3) . .
Dy1A Dy1A O2A C22A -179.9(3) 2_655 .
Dy2A Dy1A O2A C22A 179.1(4) . .
O3A Dy1A O2A Dy2A -30.86(10) 2_655 .
O3A Dy1A O2A Dy2A 32.08(10) . .
O1WA Dy1A O2A Dy2A -108.29(12) . .
O4A Dy1A O2A Dy2A 103.59(12) . .
O1A Dy1A O2A Dy2A 1.89(19) . .
N1A Dy1A O2A Dy2A -172.77(14) . .
N2A Dy1A O2A Dy2A 171.98(13) . .
Dy1A Dy1A O2A Dy2A 0.99(10) 2_655 .
O3A Dy1A O3A Dy1A -49.43(13) 2_655 2_655
O1WA Dy1A O3A Dy1A -66.53(19) . 2_655
O4A Dy1A O3A Dy1A 116.75(13) . 2_655
O1A Dy1A O3A Dy1A 31.96(8) . 2_655
O2A Dy1A O3A Dy1A -130.66(12) . 2_655
N1A Dy1A O3A Dy1A 73.09(19) . 2_655
N2A Dy1A O3A Dy1A 174.45(13) . 2_655
Dy2A Dy1A O3A Dy1A -98.26(12) . 2_655
O3A Dy1A O3A Dy2A 48.82(9) 2_655 .
O1WA Dy1A O3A Dy2A 31.7(2) . .
O4A Dy1A O3A Dy2A -145.00(14) . .
O1A Dy1A O3A Dy2A 130.22(10) . .
O2A Dy1A O3A Dy2A -32.41(10) . .
N1A Dy1A O3A Dy2A 171.35(13) . .
N2A Dy1A O3A Dy2A -87.29(16) . .
Dy1A Dy1A O3A Dy2A 98.26(12) 2_655 .
O3A Dy2A O3A Dy1A 48.84(10) 2_655 2_655
O2A Dy2A O3A Dy1A -31.51(10) 2_655 2_655
O2A Dy2A O3A Dy1A 130.24(13) . 2_655
O1MA Dy2A O3A Dy1A -140.07(13) 2_655 2_655
O1MA Dy2A O3A Dy1A 36.61(19) . 2_655
N3A Dy2A O3A Dy1A -84.08(17) 2_655 2_655
N3A Dy2A O3A Dy1A 170.19(14) . 2_655
Dy1A Dy2A O3A Dy1A 97.51(13) . 2_655
O3A Dy2A O3A Dy1A -48.67(9) 2_655 .
O2A Dy2A O3A Dy1A -129.02(13) 2_655 .
O2A Dy2A O3A Dy1A 32.73(10) . .
O1MA Dy2A O3A Dy1A 122.42(13) 2_655 .
O1MA Dy2A O3A Dy1A -60.90(18) . .
N3A Dy2A O3A Dy1A 178.41(13) 2_655 .
N3A Dy2A O3A Dy1A 72.7(2) . .
Dy1A Dy2A O3A Dy1A -97.51(13) 2_655 .
O3A Dy1A N1A C10A -130.3(3) 2_655 .
O3A Dy1A N1A C10A 137.1(3) . .
O1WA Dy1A N1A C10A -70.7(3) . .
O4A Dy1A N1A C10A 91.9(3) . .
O1A Dy1A N1A C10A 178.6(3) . .
O2A Dy1A N1A C10A -4.6(4) . .
N2A Dy1A N1A C10A 11.5(3) . .
Dy1A Dy1A N1A C10A -177.8(3) 2_655 .
Dy2A Dy1A N1A C10A -127.4(8) . .
O3A Dy1A N1A C9A 2.6(3) 2_655 .
O3A Dy1A N1A C9A -90.0(3) . .
O1WA Dy1A N1A C9A 62.3(3) . .
O4A Dy1A N1A C9A -135.1(3) . .
O1A Dy1A N1A C9A -48.4(2) . .
O2A Dy1A N1A C9A 128.4(3) . .
N2A Dy1A N1A C9A 144.5(3) . .
Dy1A Dy1A N1A C9A -44.8(3) 2_655 .
Dy2A Dy1A N1A C9A 5.6(11) . .
O3A Dy1A N2A C15A 150.9(3) 2_655 .
O3A Dy1A N2A C15A -116.6(3) . .
O1WA Dy1A N2A C15A 102.4(3) . .
O4A Dy1A N2A C15A -57.5(3) . .
O1A Dy1A N2A C15A 0.6(3) . .
O2A Dy1A N2A C15A -170.8(3) . .
N1A Dy1A N2A C15A 19.5(3) . .
Dy1A Dy1A N2A C15A -92.3(7) 2_655 .
Dy2A Dy1A N2A C15A -164.7(2) . .
O3A Dy1A N2A C16A -81.5(3) 2_655 .
O3A Dy1A N2A C16A 11.1(3) . .
O1WA Dy1A N2A C16A -129.9(3) . .
O4A Dy1A N2A C16A 70.2(3) . .
O1A Dy1A N2A C16A 128.3(3) . .
O2A Dy1A N2A C16A -43.1(3) . .
N1A Dy1A N2A C16A 147.2(3) . .
Dy1A Dy1A N2A C16A 35.4(8) 2_655 .
Dy2A Dy1A N2A C16A -37.1(3) . .
O3A Dy2A N3A C28A -121.5(3) 2_655 .
O3A Dy2A N3A C28A 146.0(3) . .
O2A Dy2A N3A C28A 0.1(4) 2_655 .
O2A Dy2A N3A C28A -174.1(3) . .
O1MA Dy2A N3A C28A 97.0(3) 2_655 .
O1MA Dy2A N3A C28A -65.8(3) . .
N3A Dy2A N3A C28A 16.8(2) 2_655 .
Dy1A Dy2A N3A C28A -168.9(3) . .
Dy1A Dy2A N3A C28A -112.3(8) 2_655 .
O3A Dy2A N3A C27A 7.2(4) 2_655 .
O3A Dy2A N3A C27A -85.3(3) . .
O2A Dy2A N3A C27A 128.8(3) 2_655 .
O2A Dy2A N3A C27A -45.5(3) . .
O1MA Dy2A N3A C27A -134.3(3) 2_655 .
O1MA Dy2A N3A C27A 62.8(3) . .
N3A Dy2A N3A C27A 145.5(4) 2_655 .
Dy1A Dy2A N3A C27A -40.2(3) . .
Dy1A Dy2A N3A C27A 16.4(10) 2_655 .
Dy1A O1A C1A C2A -146.3(2) 2_655 .
Dy1A O1A C1A C2A 33.7(2) . .
Dy1A O1A C1A C2A 33.7(2) 2_655 2_655
Dy1A O1A C1A C2A -146.3(2) . 2_655
O1A C1A C2A C3A -180.0(3) . .
C2A C1A C2A C3A 0.0(3) 2_655 .
O1A C1A C2A C9A -5.9(4) . .
C2A C1A C2A C9A 174.1(4) 2_655 .
C1A C2A C3A C4A -0.1(6) . .
C9A C2A C3A C4A -174.0(4) . .
C2A C3A C4A C3A 0.1(3) . 2_655
C2A C3A C4A C5A -179.9(3) . .
C3A C4A C5A C6A -121.9(5) 2_655 .
C3A C4A C5A C6A 58.1(5) . .
C3A C4A C5A C6A 58.1(5) 2_655 2_655
C3A C4A C5A C6A -121.9(5) . 2_655
C3A C4A C5A C8A -173.1(5) 2_655 2_655
C3A C4A C5A C8A 6.9(5) . 2_655
C3A C4A C5A C8A 6.9(5) 2_655 .
C3A C4A C5A C8A -173.1(5) . .
C3A C4A C5A C7A 121.6(5) 2_655 .
C3A C4A C5A C7A -58.4(5) . .
C3A C4A C5A C7A -58.4(5) 2_655 2_655
C3A C4A C5A C7A 121.6(5) . 2_655
C10A N1A C9A C2A -137.4(4) . .
Dy1A N1A C9A C2A 88.2(4) . .
C3A C2A C9A N1A 115.3(5) . .
C1A C2A C9A N1A -58.7(5) . .
C9A N1A C10A C15A -169.3(4) . .
Dy1A N1A C10A C15A -39.6(4) . .
C9A N1A C10A C11A 69.4(5) . .
Dy1A N1A C10A C11A -160.9(3) . .
N1A C10A C11A C12A 177.7(4) . .
C15A C10A C11A C12A 57.3(5) . .
C10A C11A C12A C13A -56.3(6) . .
C11A C12A C13A C14A 55.0(6) . .
C12A C13A C14A C15A -56.1(6) . .
C16A N2A C15A C10A -170.7(4) . .
Dy1A N2A C15A C10A -46.5(4) . .
C16A N2A C15A C14A 65.8(5) . .
Dy1A N2A C15A C14A -170.1(3) . .
N1A C10A C15A N2A 54.5(5) . .
C11A C10A C15A N2A 177.8(4) . .
N1A C10A C15A C14A 179.8(4) . .
C11A C10A C15A C14A -56.9(5) . .
C13A C14A C15A N2A 178.9(4) . .
C13A C14A C15A C10A 57.2(6) . .
C15A N2A C16A C17A -147.8(4) . .
Dy1A N2A C16A C17A 84.3(4) . .
N2A C16A C17A C18A 111.0(5) . .
N2A C16A C17A C22A -64.3(5) . .
C22A C17A C18A C19A -2.9(7) . .
C16A C17A C18A C19A -178.2(5) . .
C17A C18A C19A C20A -0.7(7) . .
C17A C18A C19A C23A 176.4(5) . .
C18A C19A C20A C21A 3.6(7) . .
C23A C19A C20A C21A -173.5(4) . .
C19A C20A C21A C22A -3.0(7) . .
C19A C20A C21A C27A 179.6(4) . .
Dy2A O2A C22A C21A 32.6(6) . .
Dy1A O2A C22A C21A -146.3(3) . .
Dy2A O2A C22A C17A -148.0(3) . .
Dy1A O2A C22A C17A 33.1(6) . .
C20A C21A C22A O2A 178.8(4) . .
C27A C21A C22A O2A -3.8(6) . .
C20A C21A C22A C17A -0.7(6) . .
C27A C21A C22A C17A 176.7(4) . .
C18A C17A C22A O2A -175.9(4) . .
C16A C17A C22A O2A -0.7(6) . .
C18A C17A C22A C21A 3.5(7) . .
C16A C17A C22A C21A 178.7(4) . .
C18A C19A C23A C24A 62.7(7) . .
C20A C19A C23A C24A -120.4(5) . .
C18A C19A C23A C25Q -128.3(9) . .
C20A C19A C23A C25Q 48.6(10) . .
C18A C19A C23A C26Q -0.9(10) . .
C20A C19A C23A C26Q 176.1(9) . .
C18A C19A C23A C25A -175.2(5) . .
C20A C19A C23A C25A 1.8(7) . .
C18A C19A C23A C24Q 113.6(9) . .
C20A C19A C23A C24Q -69.5(9) . .
C18A C19A C23A C26A -56.4(6) . .
C20A C19A C23A C26A 120.6(6) . .
C28A N3A C27A C21A -147.5(4) . .
Dy2A N3A C27A C21A 84.0(4) . .
C22A C21A C27A N3A -60.2(6) . .
C20A C21A C27A N3A 117.3(5) . .
C27A N3A C28A C28A -171.7(4) . 2_655
Dy2A N3A C28A C28A -46.6(5) . 2_655
C27A N3A C28A C29A 64.5(6) . .
Dy2A N3A C28A C29A -170.5(4) . .
N3A C28A C29A C30A 173.2(5) . .
C28A C28A C29A C30A 51.7(8) 2_655 .
C28A C29A C30A C30A -55.6(10) . 2_655
O5A N4A O4A Dy1A -162.2(8) . .
O6Q N4A O4A Dy1A -23.2(13) . .
O5Q N4A O4A Dy1A 157.5(8) . .
O6A N4A O4A Dy1A 12.4(12) . .
O3A Dy1A O4A N4A 38.3(7) 2_655 .
O3A Dy1A O4A N4A 20.8(6) . .
O1WA Dy1A O4A N4A -155.0(6) . .
O1A Dy1A O4A N4A 97.4(6) . .
O2A Dy1A O4A N4A -47.9(6) . .
N1A Dy1A O4A N4A 172.7(6) . .
N2A Dy1A O4A N4A -117.2(6) . .
Dy1A Dy1A O4A N4A 57.7(6) 2_655 .
Dy2A Dy1A O4A N4A -3.4(6) . .
O3A Dy2A O1MA C1MA -79.5(5) 2_655 .
O3A Dy2A O1MA C1MA -68.6(6) . .
O2A Dy2A O1MA C1MA -4.6(5) 2_655 .
O2A Dy2A O1MA C1MA -149.8(5) . .
O1MA Dy2A O1MA C1MA 105.1(5) 2_655 .
N3A Dy2A O1MA C1MA 70.8(5) 2_655 .
N3A Dy2A O1MA C1MA 139.7(6) . .
Dy1A Dy2A O1MA C1MA -105.8(5) . .
Dy1A Dy2A O1MA C1MA -45.1(5) 2_655 .
O4B Dy1B Dy2B O3B -151.43(14) . 2_556
O1B Dy1B Dy2B O3B -50.10(11) . 2_556
O3B Dy1B Dy2B O3B -99.44(17) . 2_556
O2B Dy1B Dy2B O3B 130.55(16) . 2_556
O1WB Dy1B Dy2B O3B 36.28(14) . 2_556
N2B Dy1B Dy2B O3B 124.83(15) . 2_556
N1B Dy1B Dy2B O3B -118.3(7) . 2_556
Dy1B Dy1B Dy2B O3B -50.10(11) 2_556 2_556
O4B Dy1B Dy2B O3B -51.99(14) . .
O3B Dy1B Dy2B O3B 99.44(17) 2_556 .
O1B Dy1B Dy2B O3B 49.34(11) . .
O2B Dy1B Dy2B O3B -130.02(16) . .
O1WB Dy1B Dy2B O3B 135.71(14) . .
N2B Dy1B Dy2B O3B -135.73(15) . .
N1B Dy1B Dy2B O3B -18.8(7) . .
Dy1B Dy1B Dy2B O3B 49.34(11) 2_556 .
O4B Dy1B Dy2B O7B -14.44(14) . .
O3B Dy1B Dy2B O7B 136.99(16) 2_556 .
O1B Dy1B Dy2B O7B 86.90(11) . .
O3B Dy1B Dy2B O7B 37.56(15) . .
O2B Dy1B Dy2B O7B -92.46(16) . .
O1WB Dy1B Dy2B O7B 173.27(14) . .
N2B Dy1B Dy2B O7B -98.17(15) . .
N1B Dy1B Dy2B O7B 18.7(7) . .
Dy1B Dy1B Dy2B O7B 86.90(11) 2_556 .
O4B Dy1B Dy2B O7B 145.43(13) . 2_556
O3B Dy1B Dy2B O7B -63.14(15) 2_556 2_556
O1B Dy1B Dy2B O7B -113.23(10) . 2_556
O3B Dy1B Dy2B O7B -162.57(15) . 2_556
O2B Dy1B Dy2B O7B 67.41(15) . 2_556
O1WB Dy1B Dy2B O7B -26.86(13) . 2_556
N2B Dy1B Dy2B O7B 61.70(14) . 2_556
N1B Dy1B Dy2B O7B 178.6(7) . 2_556
Dy1B Dy1B Dy2B O7B -113.23(10) 2_556 2_556
O4B Dy1B Dy2B O2B -101.78(12) . 2_556
O3B Dy1B Dy2B O2B 49.65(14) 2_556 2_556
O1B Dy1B Dy2B O2B -0.44(8) . 2_556
O3B Dy1B Dy2B O2B -49.78(13) . 2_556
O2B Dy1B Dy2B O2B -179.80(4) . 2_556
O1WB Dy1B Dy2B O2B 85.93(12) . 2_556
N2B Dy1B Dy2B O2B 174.49(13) . 2_556
N1B Dy1B Dy2B O2B -68.6(7) . 2_556
Dy1B Dy1B Dy2B O2B -0.44(8) 2_556 2_556
O4B Dy1B Dy2B O2B 78.02(14) . .
O3B Dy1B Dy2B O2B -130.55(16) 2_556 .
O1B Dy1B Dy2B O2B 179.36(12) . .
O3B Dy1B Dy2B O2B 130.02(16) . .
O1WB Dy1B Dy2B O2B -94.27(15) . .
N2B Dy1B Dy2B O2B -5.71(16) . .
N1B Dy1B Dy2B O2B 111.2(7) . .
Dy1B Dy1B Dy2B O2B 179.36(12) 2_556 .
O4B Dy1B Dy2B N3B 71.88(14) . .
O3B Dy1B Dy2B N3B -136.69(16) 2_556 .
O1B Dy1B Dy2B N3B 173.21(11) . .
O3B Dy1B Dy2B N3B 123.87(16) . .
O2B Dy1B Dy2B N3B -6.14(16) . .
O1WB Dy1B Dy2B N3B -100.41(15) . .
N2B Dy1B Dy2B N3B -11.86(15) . .
N1B Dy1B Dy2B N3B 105.0(7) . .
Dy1B Dy1B Dy2B N3B 173.21(11) 2_556 .
O4B Dy1B Dy2B N3B -166.4(9) . 2_556
O3B Dy1B Dy2B N3B -15.0(9) 2_556 2_556
O1B Dy1B Dy2B N3B -65.1(9) . 2_556
O3B Dy1B Dy2B N3B -114.4(9) . 2_556
O2B Dy1B Dy2B N3B 115.6(9) . 2_556
O1WB Dy1B Dy2B N3B 21.3(9) . 2_556
N2B Dy1B Dy2B N3B 109.9(9) . 2_556
N1B Dy1B Dy2B N3B -133.2(12) . 2_556
Dy1B Dy1B Dy2B N3B -65.1(9) 2_556 2_556
O4B Dy1B Dy2B Dy1B -101.33(8) . 2_556
O3B Dy1B Dy2B Dy1B 50.10(11) 2_556 2_556
O1B Dy1B Dy2B Dy1B 0.0 . 2_556
O3B Dy1B Dy2B Dy1B -49.34(11) . 2_556
O2B Dy1B Dy2B Dy1B -179.36(12) . 2_556
O1WB Dy1B Dy2B Dy1B 86.37(9) . 2_556
N2B Dy1B Dy2B Dy1B 174.93(10) . 2_556
N1B Dy1B Dy2B Dy1B -68.2(7) . 2_556
O4B Dy1B O1B C1B -80.99(12) . .
O3B Dy1B O1B C1B 148.30(8) 2_556 .
O3B Dy1B O1B C1B -148.57(7) . .
O2B Dy1B O1B C1B -179.25(14) . .
O1WB Dy1B O1B C1B 71.02(9) . .
N2B Dy1B O1B C1B 7.24(14) . .
N1B Dy1B O1B C1B -7.86(11) . .
Dy2B Dy1B O1B C1B 180.0 . .
Dy1B Dy1B O1B C1B 180.0 2_556 .
O4B Dy1B O1B Dy1B 99.01(12) . 2_556
O3B Dy1B O1B Dy1B -31.70(8) 2_556 2_556
O3B Dy1B O1B Dy1B 31.43(7) . 2_556
O2B Dy1B O1B Dy1B 0.75(14) . 2_556
O1WB Dy1B O1B Dy1B -108.98(9) . 2_556
N2B Dy1B O1B Dy1B -172.76(14) . 2_556
N1B Dy1B O1B Dy1B 172.14(11) . 2_556
Dy2B Dy1B O1B Dy1B 0.0 . 2_556
O4B Dy1B O2B C22B 79.3(4) . .
O3B Dy1B O2B C22B -146.0(4) 2_556 .
O1B Dy1B O2B C22B -178.5(3) . .
O3B Dy1B O2B C22B 150.9(4) . .
O1WB Dy1B O2B C22B -76.5(4) . .
N2B Dy1B O2B C22B -2.7(3) . .
N1B Dy1B O2B C22B 14.4(5) . .
Dy2B Dy1B O2B C22B -177.4(4) . .
Dy1B Dy1B O2B C22B -178.0(3) 2_556 .
O4B Dy1B O2B Dy2B -103.34(13) . .
O3B Dy1B O2B Dy2B 31.37(10) 2_556 .
O1B Dy1B O2B Dy2B -1.1(2) . .
O3B Dy1B O2B Dy2B -31.72(10) . .
O1WB Dy1B O2B Dy2B 100.91(12) . .
N2B Dy1B O2B Dy2B 174.68(14) . .
N1B Dy1B O2B Dy2B -168.16(16) . .
Dy1B Dy1B O2B Dy2B -0.57(10) 2_556 .
O3B Dy2B O2B C22B 145.9(4) 2_556 .
O3B Dy2B O2B C22B -150.5(4) . .
O7B Dy2B O2B C22B -77.0(4) . .
O7B Dy2B O2B C22B 64.1(4) 2_556 .
O2B Dy2B O2B C22B 177.7(4) 2_556 .
N3B Dy2B O2B C22B -8.3(4) . .
N3B Dy2B O2B C22B 6.8(5) 2_556 .
Dy1B Dy2B O2B C22B 178.0(3) 2_556 .
Dy1B Dy2B O2B C22B 177.4(4) . .
O3B Dy2B O2B Dy1B -31.48(10) 2_556 .
O3B Dy2B O2B Dy1B 32.10(10) . .
O7B Dy2B O2B Dy1B 105.64(13) . .
O7B Dy2B O2B Dy1B -113.36(13) 2_556 .
O2B Dy2B O2B Dy1B 0.34(6) 2_556 .
N3B Dy2B O2B Dy1B 174.33(15) . .
N3B Dy2B O2B Dy1B -170.56(16) 2_556 .
Dy1B Dy2B O2B Dy1B 0.57(10) 2_556 .
O3B Dy2B O3B Dy1B -49.02(9) 2_556 2_556
O7B Dy2B O3B Dy1B 116.83(14) . 2_556
O7B Dy2B O3B Dy1B -70.6(2) 2_556 2_556
O2B Dy2B O3B Dy1B 31.97(11) 2_556 2_556
O2B Dy2B O3B Dy1B -129.51(13) . 2_556
N3B Dy2B O3B Dy1B 177.69(14) . 2_556
N3B Dy2B O3B Dy1B 73.2(2) 2_556 2_556
Dy1B Dy2B O3B Dy1B -97.31(13) . 2_556
O3B Dy2B O3B Dy1B 48.29(10) 2_556 .
O7B Dy2B O3B Dy1B -145.87(14) . .
O7B Dy2B O3B Dy1B 26.7(2) 2_556 .
O2B Dy2B O3B Dy1B 129.28(13) 2_556 .
O2B Dy2B O3B Dy1B -32.20(10) . .
N3B Dy2B O3B Dy1B -85.01(18) . .
N3B Dy2B O3B Dy1B 170.47(18) 2_556 .
Dy1B Dy2B O3B Dy1B 97.31(13) 2_556 .
O4B Dy1B O3B Dy2B 124.37(15) . .
O3B Dy1B O3B Dy2B -48.47(9) 2_556 .
O1B Dy1B O3B Dy2B -129.66(10) . .
O2B Dy1B O3B Dy2B 32.55(11) . .
O1WB Dy1B O3B Dy2B -67.11(18) . .
N2B Dy1B O3B Dy2B 73.58(19) . .
N1B Dy1B O3B Dy2B 176.52(14) . .
Dy1B Dy1B O3B Dy2B -97.91(12) 2_556 .
O4B Dy1B O3B Dy1B -137.72(15) . 2_556
O3B Dy1B O3B Dy1B 49.44(13) 2_556 2_556
O1B Dy1B O3B Dy1B -31.75(8) . 2_556
O2B Dy1B O3B Dy1B 130.46(13) . 2_556
O1WB Dy1B O3B Dy1B 30.8(2) . 2_556
N2B Dy1B O3B Dy1B 171.49(14) . 2_556
N1B Dy1B O3B Dy1B -85.57(17) . 2_556
Dy2B Dy1B O3B Dy1B 97.91(12) . 2_556
O4B Dy1B N1B C10B -68.7(3) . .
O3B Dy1B N1B C10B 148.1(3) 2_556 .
O1B Dy1B N1B C10B -172.7(4) . .
O3B Dy1B N1B C10B -119.1(3) . .
O2B Dy1B N1B C10B -0.4(4) . .
O1WB Dy1B N1B C10B 101.8(3) . .
N2B Dy1B N1B C10B 17.5(3) . .
Dy2B Dy1B N1B C10B -102.7(7) . .
Dy1B Dy1B N1B C10B -166.8(3) 2_556 .
O4B Dy1B N1B C9B 57.4(3) . .
O3B Dy1B N1B C9B -85.8(4) 2_556 .
O1B Dy1B N1B C9B -46.5(3) . .
O3B Dy1B N1B C9B 7.1(4) . .
O2B Dy1B N1B C9B 125.8(3) . .
O1WB Dy1B N1B C9B -132.1(4) . .
N2B Dy1B N1B C9B 143.7(4) . .
Dy2B Dy1B N1B C9B 23.5(9) . .
Dy1B Dy1B N1B C9B -40.7(4) 2_556 .
O4B Dy1B N2B C15B 92.7(3) . .
O3B Dy1B N2B C15B -126.8(3) 2_556 .
O1B Dy1B N2B C15B -2.0(4) . .
O3B Dy1B N2B C15B 140.7(3) . .
O2B Dy1B N2B C15B -178.1(3) . .
O1WB Dy1B N2B C15B -66.6(3) . .
N1B Dy1B N2B C15B 13.9(3) . .
Dy2B Dy1B N2B C15B -174.1(3) . .
Dy1B Dy1B N2B C15B -123.2(9) 2_556 .
O4B Dy1B N2B C16B -138.6(3) . .
O3B Dy1B N2B C16B 1.9(4) 2_556 .
O1B Dy1B N2B C16B 126.7(3) . .
O3B Dy1B N2B C16B -90.6(3) . .
O2B Dy1B N2B C16B -49.4(3) . .
O1WB Dy1B N2B C16B 62.1(3) . .
N1B Dy1B N2B C16B 142.5(3) . .
Dy2B Dy1B N2B C16B -45.4(3) . .
Dy1B Dy1B N2B C16B 5.5(12) 2_556 .
O3B Dy2B N3B C28B 144.7(3) 2_556 .
O3B Dy2B N3B C28B -121.4(4) . .
O7B Dy2B N3B C28B -58.9(4) . .
O7B Dy2B N3B C28B 98.7(4) 2_556 .
O2B Dy2B N3B C28B 0.4(5) 2_556 .
O2B Dy2B N3B C28B -174.2(4) . .
N3B Dy2B N3B C28B 16.3(3) 2_556 .
Dy1B Dy2B N3B C28B -108.1(10) 2_556 .
Dy1B Dy2B N3B C28B -169.9(3) . .
O3B Dy2B N3B C27B -86.0(3) 2_556 .
O3B Dy2B N3B C27B 7.9(4) . .
O7B Dy2B N3B C27B 70.4(3) . .
O7B Dy2B N3B C27B -132.0(3) 2_556 .
O2B Dy2B N3B C27B 129.6(3) 2_556 .
O2B Dy2B N3B C27B -44.9(3) . .
N3B Dy2B N3B C27B 145.5(4) 2_556 .
Dy1B Dy2B N3B C27B 21.2(11) 2_556 .
Dy1B Dy2B N3B C27B -40.7(3) . .
Dy1B O1B C1B C2B 35.7(3) 2_556 2_556
Dy1B O1B C1B C2B -144.3(3) . 2_556
Dy1B O1B C1B C2B -144.3(3) 2_556 .
Dy1B O1B C1B C2B 35.7(3) . .
O1B C1B C2B C3B -179.0(5) . .
C2B C1B C2B C3B 1.0(5) 2_556 .
O1B C1B C2B C9B -4.6(7) . .
C2B C1B C2B C9B 175.4(7) 2_556 .
C1B C2B C3B C4B -2.2(10) . .
C9B C2B C3B C4B -176.7(6) . .
C2B C3B C4B C3B 1.2(5) . 2_556
C2B C3B C4B C5B -178.8(5) . .
C3B C4B C5B C8B 178.0(9) . 2_556
C3B C4B C5B C8B -2.0(9) 2_556 2_556
C3B C4B C5B C8B -2.0(9) . .
C3B C4B C5B C8B 178.0(9) 2_556 .
C3B C4B C5B C6B -53.8(8) . 2_556
C3B C4B C5B C6B 126.2(8) 2_556 2_556
C3B C4B C5B C6B 126.2(8) . .
C3B C4B C5B C6B -53.8(8) 2_556 .
C3B C4B C5B C7B -119.6(8) . .
C3B C4B C5B C7B 60.4(8) 2_556 .
C3B C4B C5B C7B 60.4(8) . 2_556
C3B C4B C5B C7B -119.6(8) 2_556 2_556
C3B C2B C9B N1B 113.5(7) . .
C1B C2B C9B N1B -60.7(7) . .
C10B N1B C9B C2B -146.7(4) . .
Dy1B N1B C9B C2B 85.7(4) . .
C9B N1B C10B C15B -168.0(4) . .
Dy1B N1B C10B C15B -44.5(5) . .
C9B N1B C10B C11B 70.1(6) . .
Dy1B N1B C10B C11B -166.5(3) . .
N1B C10B C11B C12B 176.5(4) . .
C15B C10B C11B C12B 56.5(5) . .
C10B C11B C12B C13B -56.1(6) . .
C11B C12B C13B C14B 56.4(6) . .
C12B C13B C14B C15B -57.5(6) . .
C16B N2B C15B C10B -167.4(4) . .
Dy1B N2B C15B C10B -42.1(4) . .
C16B N2B C15B C14B 70.1(5) . .
Dy1B N2B C15B C14B -164.6(3) . .
N1B C10B C15B N2B 55.2(5) . .
C11B C10B C15B N2B 178.7(4) . .
N1B C10B C15B C14B 179.9(4) . .
C11B C10B C15B C14B -56.6(5) . .
C13B C14B C15B N2B 179.2(4) . .
C13B C14B C15B C10B 57.4(5) . .
C15B N2B C16B C17B -141.5(4) . .
Dy1B N2B C16B C17B 88.2(4) . .
N2B C16B C17B C22B -59.0(5) . .
N2B C16B C17B C18B 116.6(5) . .
C22B C17B C18B C19B -0.2(8) . .
C16B C17B C18B C19B -175.7(5) . .
C17B C18B C19B C20B -0.3(9) . .
C17B C18B C19B C23B -177.4(6) . .
C18B C19B C20B C21B 1.3(11) . .
C23B C19B C20B C21B 178.3(7) . .
C19B C20B C21B C22B -1.8(11) . .
C19B C20B C21B C27B -177.2(6) . .
Dy1B O2B C22B C17B 31.5(6) . .
Dy2B O2B C22B C17B -145.0(4) . .
Dy1B O2B C22B C21B -149.4(4) . .
Dy2B O2B C22B C21B 34.1(6) . .
C18B C17B C22B O2B 178.8(4) . .
C16B C17B C22B O2B -5.5(7) . .
C18B C17B C22B C21B -0.3(7) . .
C16B C17B C22B C21B 175.3(4) . .
C20B C21B C22B O2B -177.9(5) . .
C27B C21B C22B O2B -2.5(8) . .
C20B C21B C22B C17B 1.2(8) . .
C27B C21B C22B C17B 176.6(5) . .
C18B C19B C23B C26E -4.7(13) . .
C20B C19B C23B C26E 178.5(11) . .
C18B C19B C23B C24B -172.2(7) . .
C20B C19B C23B C24B 10.9(10) . .
C18B C19B C23B C24E -130.5(11) . .
C20B C19B C23B C24E 52.6(12) . .
C18B C19B C23B C25B 66.7(8) . .
C20B C19B C23B C25B -110.2(8) . .
C18B C19B C23B C25E 114.1(11) . .
C20B C19B C23B C25E -62.8(12) . .
C18B C19B C23B C26B -51.1(8) . .
C20B C19B C23B C26B 132.0(8) . .
C28B N3B C27B C21B -143.2(5) . .
Dy2B N3B C27B C21B 85.8(4) . .
C20B C21B C27B N3B 112.9(6) . .
C22B C21B C27B N3B -62.5(6) . .
C27B N3B C28B C29B 68.2(6) . .
Dy2B N3B C28B C29B -165.3(4) . .
C27B N3B C28B C28B -169.5(5) . 2_556
Dy2B N3B C28B C28B -43.0(6) . 2_556
N3B C28B C29B C30B 177.5(6) . .
C28B C28B C29B C30B 56.6(8) 2_556 .
C28B C29B C30B C30B -56.1(10) . 2_556
O6B N4B O4B Dy1B -174.0(9) . .
O5B N4B O4B Dy1B 8.0(13) . .
O5E N4B O4B Dy1B -29.3(12) . .
O6E N4B O4B Dy1B 153.4(9) . .
O3B Dy1B O4B N4B -118.3(7) 2_556 .
O1B Dy1B O4B N4B 163.3(7) . .
O3B Dy1B O4B N4B -126.6(7) . .
O2B Dy1B O4B N4B -51.6(7) . .
O1WB Dy1B O4B N4B 71.1(8) . .
N2B Dy1B O4B N4B 22.7(7) . .
N1B Dy1B O4B N4B 91.4(7) . .
Dy2B Dy1B O4B N4B -93.2(7) . .
Dy1B Dy1B O4B N4B -153.9(7) 2_556 .
O9B N5B O7B Dy2B -161.9(4) . .
O8B N5B O7B Dy2B 22.8(8) . .
O3B Dy2B O7B N5B 48.1(5) 2_556 .
O3B Dy2B O7B N5B 29.0(5) . .
O7B Dy2B O7B N5B -143.4(5) 2_556 .
O2B Dy2B O7B N5B 104.6(5) 2_556 .
O2B Dy2B O7B N5B -40.9(5) . .
N3B Dy2B O7B N5B -109.0(5) . .
N3B Dy2B O7B N5B -178.8(5) 2_556 .
Dy1B Dy2B O7B N5B 65.9(5) 2_556 .
Dy1B Dy2B O7B N5B 4.5(5) . .
