#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:39:43 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180480 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/49/7214909.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_7214909
loop_
_publ_author_name
'Thuéry, Pierre'
_publ_section_title
;
 Supramolecular assemblies built from lanthanide ammoniocarboxylates and
 cucurbit[6]uril
;
_journal_issue                   23
_journal_name_full               CrystEngComm
_journal_page_first              8128
_journal_paper_doi               10.1039/c2ce25915j
_journal_volume                  14
_journal_year                    2012
_chemical_absolute_configuration ad
_chemical_formula_sum            'C164 H312 Dy5 N115 O163 S4'
_chemical_formula_weight         7444.03
_space_group_IT_number           3
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2y'
_symmetry_space_group_name_H-M   'P 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                 93.6325(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   25.4155(2)
_cell_length_b                   18.8099(2)
_cell_length_c                   29.8228(3)
_cell_measurement_reflns_used    417600
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.68
_cell_measurement_theta_min      2.94
_cell_volume                     14228.5(2)
_computing_cell_refinement       'HKL2000 (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_data_reduction        'HKL2000 (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
'SHELXTL (Sheldrick, 2008); PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type
'Nonius Kappa-CCD area-detector diffractometer'
_diffrn_measurement_method
'two φ and six ω scans with 1° steps (1154 frames)'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0316
_diffrn_reflns_av_sigmaI/netI    0.0355
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            417600
_diffrn_reflns_theta_full        25.68
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         2.94
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.458
_exptl_absorpt_correction_T_max  0.804
_exptl_absorpt_correction_T_min  0.621
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SCALEPACK (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.738
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             7598
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.962
_refine_diff_density_min         -2.938
_refine_diff_density_rms         0.175
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.058(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     4077
_refine_ls_number_reflns         53848
_refine_ls_number_restraints     415
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0707
_refine_ls_R_factor_gt           0.0666
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1256P)²+64.3314P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1868
_refine_ls_wR_factor_ref         0.1901
_reflns_number_gt                50057
_reflns_number_total             53848
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce25915j.txt
_cod_data_source_block           4
_cod_original_sg_symbol_H-M      'P 2'
_cod_database_code               7214909
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Dy1 Dy 0.744342(16) 0.70782(2) -0.129893(12) 0.02824(9) Uani 1 1 d .
S1 S 0.75775(16) 0.71677(16) 0.10503(9) 0.0641(9) Uani 1 1 d .
O1 O 0.7408(2) 0.7973(3) -0.07704(19) 0.0313(13) Uani 1 1 d .
O2 O 0.8235(2) 0.8403(4) -0.0617(2) 0.0348(14) Uani 1 1 d .
O3 O 0.8139(3) 0.7859(3) -0.14364(18) 0.0318(13) Uani 1 1 d .
O4 O 0.7275(3) 0.7491(4) -0.20479(19) 0.0404(15) Uani 1 1 d .
O5 O 0.6560(2) 0.7490(3) -0.13181(19) 0.0337(13) Uani 1 1 d .
O6 O 0.7011(3) 0.6443(3) -0.07203(19) 0.0363(15) Uani 1 1 d .
O7 O 0.8099(3) 0.6632(4) -0.0770(2) 0.0416(16) Uani 1 1 d .
O8 O 0.8050(3) 0.6396(4) -0.1710(2) 0.0382(15) Uani 1 1 d .
O9 O 0.6971(3) 0.6089(3) -0.1655(2) 0.0402(16) Uani 1 1 d .
O49 O 0.6294(3) 0.8553(4) 0.0495(2) 0.0376(15) Uani 1 1 d .
O50 O 0.6426(3) 0.7677(4) 0.2454(2) 0.0430(16) Uani 1 1 d .
O51 O 0.7276(3) 0.9738(3) 0.06429(18) 0.0316(13) Uani 1 1 d .
O52 O 0.7456(3) 0.8698(3) 0.2584(2) 0.0351(14) Uani 1 1 d .
O53 O 0.8618(3) 0.9087(3) 0.0475(2) 0.0322(14) Uani 1 1 d .
O54 O 0.8693(3) 0.8005(3) 0.24244(19) 0.0333(14) Uani 1 1 d .
O55 O 0.8758(2) 0.7147(4) 0.01698(19) 0.0354(13) Uani 1 1 d .
O56 O 0.9010(3) 0.6297(4) 0.2168(2) 0.0437(17) Uani 1 1 d .
O57 O 0.7722(3) 0.6034(3) 0.0004(2) 0.0372(15) Uani 1 1 d .
O58 O 0.7962(4) 0.5224(5) 0.1983(2) 0.061(2) Uani 1 1 d .
O59 O 0.6503(3) 0.6721(4) 0.0139(2) 0.0427(16) Uani 1 1 d .
O60 O 0.6686(3) 0.5926(4) 0.2134(2) 0.0472(18) Uani 1 1 d .
N1 N 0.7059(3) 0.8793(4) -0.0124(2) 0.0280(15) Uani 1 1 d .
H1A H 0.6933 0.8898 0.0144 0.034 Uiso 1 1 d R
H1B H 0.7030 0.9196 -0.0248 0.034 Uiso 1 1 d R
H1C H 0.6779 0.8449 -0.0179 0.034 Uiso 1 1 d R
N7 N 0.5857(3) 0.7881(4) 0.1006(2) 0.0358(18) Uani 1 1 d .
N8 N 0.6152(3) 0.8972(4) 0.1205(2) 0.0327(17) Uani 1 1 d .
N9 N 0.6149(4) 0.8617(4) 0.2001(3) 0.0394(19) Uani 1 1 d .
N10 N 0.5922(3) 0.7534(4) 0.1786(2) 0.0373(18) Uani 1 1 d .
N11 N 0.6860(3) 0.9833(4) 0.1306(2) 0.0309(16) Uani 1 1 d .
N12 N 0.7735(3) 0.9906(3) 0.1328(2) 0.0269(15) Uani 1 1 d .
N13 N 0.7801(3) 0.9517(4) 0.2107(2) 0.0298(16) Uani 1 1 d .
N14 N 0.6938(3) 0.9368(4) 0.2076(2) 0.0315(16) Uani 1 1 d .
N15 N 0.8598(3) 0.9428(4) 0.1206(2) 0.0307(16) Uani 1 1 d .
N16 N 0.9118(3) 0.8523(4) 0.1035(2) 0.0318(16) Uani 1 1 d .
N17 N 0.9200(3) 0.8163(4) 0.1824(2) 0.0342(17) Uani 1 1 d .
N18 N 0.8654(3) 0.9015(4) 0.1987(2) 0.0290(15) Uani 1 1 d .
N19 N 0.9266(3) 0.7300(4) 0.0833(2) 0.0293(16) Uani 1 1 d .
N20 N 0.9027(4) 0.6214(4) 0.0639(2) 0.0361(18) Uani 1 1 d .
N21 N 0.9087(4) 0.5893(4) 0.1429(2) 0.0376(18) Uani 1 1 d .
N22 N 0.9413(3) 0.6940(4) 0.1620(2) 0.0347(17) Uani 1 1 d .
N23 N 0.8273(4) 0.5426(4) 0.0527(2) 0.0374(19) Uani 1 1 d .
N24 N 0.7411(4) 0.5243(4) 0.0507(3) 0.0399(19) Uani 1 1 d .
N25 N 0.7503(3) 0.4968(5) 0.1315(3) 0.043(2) Uani 1 1 d U
N26 N 0.8358(4) 0.5065(4) 0.1320(3) 0.043(2) Uani 1 1 d .
N27 N 0.6543(4) 0.5758(4) 0.0623(3) 0.042(2) Uani 1 1 d .
N28 N 0.6039(4) 0.6657(5) 0.0775(3) 0.045(2) Uani 1 1 d .
N29 N 0.6080(4) 0.6333(4) 0.1571(2) 0.0387(19) Uani 1 1 d .
N30 N 0.6637(4) 0.5472(4) 0.1412(3) 0.044(2) Uani 1 1 d .
C1 C 0.7768(4) 0.8285(4) -0.0520(3) 0.0300(19) Uani 1 1 d .
C2 C 0.7585(4) 0.8499(5) -0.0062(3) 0.0296(18) Uani 1 1 d .
H2 H 0.7823 0.8862 0.0071 0.036 Uiso 1 1 calc R
C3 C 0.7604(4) 0.7839(5) 0.0241(3) 0.037(2) Uani 1 1 d .
H3A H 0.7327 0.7515 0.0134 0.045 Uiso 1 1 calc R
H3B H 0.7939 0.7600 0.0213 0.045 Uiso 1 1 calc R
C4 C 0.7540(4) 0.7999(5) 0.0732(3) 0.038(2) Uani 1 1 d .
H4D H 0.7203 0.8227 0.0766 0.046 Uiso 1 1 calc R
H4E H 0.7817 0.8320 0.0845 0.046 Uiso 1 1 calc R
C5 C 0.7429(6) 0.7499(7) 0.1594(3) 0.062(3) Uani 1 1 d .
H5A H 0.7614 0.7937 0.1653 0.094 Uiso 1 1 calc R
H5B H 0.7536 0.7156 0.1820 0.094 Uiso 1 1 calc R
H5C H 0.7056 0.7580 0.1600 0.094 Uiso 1 1 calc R
C21 C 0.6124(4) 0.8481(5) 0.0861(3) 0.0308(19) Uani 1 1 d .
C22 C 0.5665(4) 0.7970(5) 0.1450(3) 0.035(2) Uani 1 1 d .
H22 H 0.5281 0.7923 0.1446 0.042 Uiso 1 1 calc R
C23 C 0.5847(4) 0.8725(6) 0.1584(3) 0.041(2) Uani 1 1 d .
H23 H 0.5545 0.9037 0.1624 0.049 Uiso 1 1 calc R
C24 C 0.6209(4) 0.7921(5) 0.2119(3) 0.037(2) Uani 1 1 d .
C25 C 0.6332(4) 0.9684(5) 0.1130(3) 0.0331(19) Uani 1 1 d .
H25A H 0.6311 0.9774 0.0809 0.040 Uiso 1 1 calc R
H25B H 0.6094 1.0013 0.1265 0.040 Uiso 1 1 calc R
C26 C 0.6447(4) 0.9172(5) 0.2254(3) 0.035(2) Uani 1 1 d .
H26A H 0.6228 0.9593 0.2265 0.042 Uiso 1 1 calc R
H26B H 0.6518 0.9009 0.2560 0.042 Uiso 1 1 calc R
C27 C 0.7280(4) 0.9811(4) 0.1052(3) 0.0303(19) Uani 1 1 d .
C28 C 0.7011(4) 0.9954(4) 0.1775(3) 0.0289(18) Uani 1 1 d .
H28 H 0.6843 1.0385 0.1883 0.035 Uiso 1 1 calc R
C29 C 0.7619(4) 1.0047(4) 0.1789(3) 0.0283(18) Uani 1 1 d .
H29 H 0.7727 1.0526 0.1884 0.034 Uiso 1 1 calc R
C30 C 0.7406(4) 0.9152(4) 0.2279(3) 0.0288(18) Uani 1 1 d .
C31 C 0.8240(4) 1.0018(4) 0.1152(3) 0.0321(19) Uani 1 1 d .
H31A H 0.8403 1.0430 0.1300 0.038 Uiso 1 1 calc R
H31B H 0.8188 1.0128 0.0835 0.038 Uiso 1 1 calc R
C32 C 0.8346(3) 0.9437(5) 0.2271(3) 0.0295(18) Uani 1 1 d .
H32A H 0.8504 0.9905 0.2303 0.035 Uiso 1 1 calc R
H32B H 0.8356 0.9221 0.2567 0.035 Uiso 1 1 calc R
C33 C 0.8763(3) 0.9021(4) 0.0865(3) 0.0267(18) Uani 1 1 d .
C34 C 0.8927(4) 0.9306(5) 0.1620(3) 0.035(2) Uani 1 1 d .
H34 H 0.9126 0.9734 0.1712 0.041 Uiso 1 1 calc R
C35 C 0.9296(3) 0.8701(5) 0.1495(3) 0.0287(18) Uani 1 1 d .
H35 H 0.9666 0.8854 0.1515 0.034 Uiso 1 1 calc R
C36 C 0.8844(3) 0.8350(4) 0.2119(3) 0.0256(17) Uani 1 1 d .
C37 C 0.9399(4) 0.8032(5) 0.0758(3) 0.034(2) Uani 1 1 d .
H37A H 0.9319 0.8147 0.0444 0.041 Uiso 1 1 calc R
H37B H 0.9775 0.8095 0.0822 0.041 Uiso 1 1 calc R
C38 C 0.9548(4) 0.7543(5) 0.1901(3) 0.0320(19) Uani 1 1 d .
H38A H 0.9907 0.7685 0.1851 0.038 Uiso 1 1 calc R
H38B H 0.9540 0.7400 0.2213 0.038 Uiso 1 1 calc R
C39 C 0.8982(4) 0.6907(5) 0.0515(3) 0.033(2) Uani 1 1 d .
C40 C 0.9553(4) 0.6859(5) 0.1158(3) 0.032(2) Uani 1 1 d .
H40 H 0.9934 0.6901 0.1133 0.039 Uiso 1 1 calc R
C41 C 0.9358(4) 0.6108(5) 0.1040(3) 0.040(2) Uani 1 1 d .
H41 H 0.9652 0.5788 0.0987 0.048 Uiso 1 1 calc R
C42 C 0.9155(4) 0.6380(6) 0.1765(3) 0.043(2) Uani 1 1 d .
C43 C 0.8768(5) 0.5644(5) 0.0377(3) 0.041(2) Uani 1 1 d .
H43A H 0.8717 0.5799 0.0067 0.049 Uiso 1 1 calc R
H43B H 0.9002 0.5235 0.0383 0.049 Uiso 1 1 calc R
C44 C 0.8917(5) 0.5187(6) 0.1501(3) 0.048(3) Uani 1 1 d .
H44A H 0.8944 0.5087 0.1821 0.057 Uiso 1 1 calc R
H44B H 0.9149 0.4860 0.1357 0.057 Uiso 1 1 calc R
C45 C 0.7795(4) 0.5617(4) 0.0321(3) 0.034(2) Uani 1 1 d .
C46 C 0.8211(5) 0.4859(5) 0.0855(3) 0.040(2) Uani 1 1 d .
H46 H 0.8385 0.4419 0.0771 0.048 Uiso 1 1 calc R
C47 C 0.7621(5) 0.4772(5) 0.0853(3) 0.041(2) Uani 1 1 d .
H47 H 0.7518 0.4280 0.0786 0.050 Uiso 1 1 calc R
C48 C 0.7961(5) 0.5104(5) 0.1578(4) 0.049(3) Uani 1 1 d .
C49 C 0.6863(5) 0.5315(6) 0.0363(3) 0.045(2) Uani 1 1 d .
H49A H 0.6843 0.5497 0.0058 0.054 Uiso 1 1 calc R
H49B H 0.6709 0.4844 0.0353 0.054 Uiso 1 1 calc R
C50 C 0.7013(5) 0.4890(6) 0.1519(4) 0.053(3) Uani 1 1 d .
H50A H 0.7081 0.4866 0.1843 0.064 Uiso 1 1 calc R
H50B H 0.6852 0.4444 0.1421 0.064 Uiso 1 1 calc R
C51 C 0.6386(5) 0.6418(6) 0.0478(3) 0.047(3) Uani 1 1 d .
C52 C 0.6304(5) 0.5510(5) 0.1013(3) 0.042(2) Uani 1 1 d .
H52 H 0.6115 0.5062 0.0955 0.050 Uiso 1 1 calc R
C53 C 0.5910(5) 0.6143(5) 0.1107(3) 0.046(3) Uani 1 1 d .
H53 H 0.5539 0.5996 0.1075 0.056 Uiso 1 1 calc R
C54 C 0.6482(4) 0.5913(5) 0.1750(3) 0.037(2) Uani 1 1 d .
C55 C 0.5710(4) 0.7297(5) 0.0698(3) 0.041(2) Uani 1 1 d .
H55A H 0.5741 0.7458 0.0392 0.050 Uiso 1 1 calc R
H55B H 0.5345 0.7172 0.0731 0.050 Uiso 1 1 calc R
C56 C 0.5792(5) 0.6798(5) 0.1839(3) 0.042(2) Uani 1 1 d .
H56A H 0.5859 0.6668 0.2153 0.051 Uiso 1 1 calc R
H56B H 0.5419 0.6733 0.1763 0.051 Uiso 1 1 calc R
Dy2 Dy 0.764026(16) 1.23978(2) 0.124303(11) 0.02652(8) Uani 1 1 d .
S2 S 0.73648(12) 1.23585(15) -0.12015(8) 0.0490(6) Uani 1 1 d .
O10 O 0.7590(3) 1.1553(3) 0.06743(19) 0.0325(14) Uani 1 1 d .
O11 O 0.8381(3) 1.1315(3) 0.04306(19) 0.0350(14) Uani 1 1 d .
O12 O 0.8508(3) 1.1893(3) 0.1263(2) 0.0366(14) Uani 1 1 d .
O13 O 0.7833(3) 1.1990(3) 0.19896(19) 0.0344(14) Uani 1 1 d .
O14 O 0.6958(2) 1.1574(3) 0.13734(19) 0.0307(13) Uani 1 1 d .
O15 O 0.6960(2) 1.2864(3) 0.07365(19) 0.0322(13) Uani 1 1 d .
O16 O 0.8074(3) 1.3011(3) 0.06701(19) 0.0313(13) Uani 1 1 d .
O17 O 0.8128(3) 1.3358(3) 0.16019(19) 0.0311(13) Uani 1 1 d .
O18 O 0.7041(3) 1.3066(3) 0.1652(2) 0.0398(15) Uani 1 1 d .
O61 O 0.6366(3) 1.0154(3) -0.0589(2) 0.0346(14) Uani 1 1 d .
O62 O 0.6114(3) 1.1386(4) -0.2493(2) 0.0434(16) Uani 1 1 d .
O63 O 0.6316(3) 1.2086(4) -0.0261(2) 0.0445(17) Uani 1 1 d .
O64 O 0.5813(3) 1.3127(4) -0.2147(2) 0.052(2) Uani 1 1 d .
O65 O 0.7308(3) 1.3429(4) -0.0031(2) 0.0388(15) Uani 1 1 d .
O66 O 0.6820(3) 1.4244(5) -0.1993(2) 0.056(2) Uani 1 1 d .
O67 O 0.8502(3) 1.2919(3) -0.0202(2) 0.0379(15) Uani 1 1 d .
O68 O 0.8027(3) 1.3538(4) -0.2194(2) 0.0393(15) Uani 1 1 d .
O69 O 0.8575(2) 1.1006(3) -0.0586(2) 0.0310(13) Uani 1 1 d .
O70 O 0.8363(3) 1.1793(4) -0.2592(2) 0.0405(16) Uani 1 1 d .
O71 O 0.7489(2) 0.9743(3) -0.07785(18) 0.0293(13) Uani 1 1 d .
O72 O 0.7355(3) 1.0759(3) -0.2679(2) 0.0374(15) Uani 1 1 d .
N2 N 0.7069(3) 1.0864(4) 0.0022(2) 0.0284(15) Uani 1 1 d .
H2A H 0.7079 1.0605 0.0198 0.034 Uiso 1 1 d R
H2B H 0.6936 1.0737 -0.0170 0.034 Uiso 1 1 d R
H2C H 0.6934 1.1291 0.0146 0.034 Uiso 1 1 d R
N31 N 0.6252(3) 0.9855(4) -0.1331(2) 0.0315(16) Uani 1 1 d .
N32 N 0.5803(3) 1.0772(4) -0.1101(2) 0.0372(18) Uani 1 1 d .
N33 N 0.5641(3) 1.1212(5) -0.1860(3) 0.0389(19) Uani 1 1 d .
N34 N 0.6161(3) 1.0329(5) -0.2096(2) 0.0408(19) Uani 1 1 d .
N35 N 0.5683(3) 1.1988(4) -0.0850(3) 0.0388(19) Uani 1 1 d .
N36 N 0.5986(3) 1.3063(4) -0.0667(3) 0.0390(19) Uani 1 1 d .
N37 N 0.5755(4) 1.3515(5) -0.1416(3) 0.046(2) Uani 1 1 d .
N38 N 0.5503(3) 1.2406(5) -0.1612(3) 0.0419(18) Uani 1 1 d .
N39 N 0.6687(3) 1.3956(4) -0.0527(2) 0.0358(18) Uani 1 1 d .
N40 N 0.7513(4) 1.4272(4) -0.0546(2) 0.0373(18) Uani 1 1 d .
N41 N 0.7327(4) 1.4484(4) -0.1348(3) 0.040(2) Uani 1 1 d .
N42 N 0.6477(4) 1.4348(5) -0.1305(3) 0.041(2) Uani 1 1 d .
N43 N 0.8375(4) 1.3827(4) -0.0713(2) 0.0367(18) Uani 1 1 d .
N44 N 0.8884(3) 1.2909(4) -0.0894(2) 0.0333(17) Uani 1 1 d .
N45 N 0.8704(3) 1.3174(4) -0.1683(3) 0.0321(16) Uani 1 1 d .
N46 N 0.8196(3) 1.4074(4) -0.1512(2) 0.0347(17) Uani 1 1 d .
N47 N 0.8911(3) 1.1693(4) -0.1140(2) 0.0302(16) Uani 1 1 d .
N48 N 0.8654(3) 1.0596(4) -0.1300(2) 0.0275(15) Uani 1 1 d .
N49 N 0.8592(3) 1.0895(4) -0.2100(3) 0.0367(18) Uani 1 1 d .
N50 N 0.8857(3) 1.1973(4) -0.1943(2) 0.0356(18) Uani 1 1 d .
N51 N 0.7944(3) 0.9744(4) -0.1433(3) 0.0347(17) Uani 1 1 d .
N52 N 0.7108(3) 0.9359(4) -0.1460(2) 0.0315(16) Uani 1 1 d .
N53 N 0.7023(3) 0.9910(4) -0.2209(3) 0.0322(16) Uani 1 1 d .
N54 N 0.7894(3) 1.0036(4) -0.2227(2) 0.0309(16) Uani 1 1 d .
C6 C 0.7882(4) 1.1348(4) 0.0389(2) 0.0264(17) Uani 1 1 d .
C7 C 0.7595(3) 1.1115(4) -0.0068(3) 0.0262(17) Uani 1 1 d .
H7 H 0.7793 1.0728 -0.0199 0.031 Uiso 1 1 calc R
C8 C 0.7579(4) 1.1757(4) -0.0387(3) 0.0279(17) Uani 1 1 d .
H8A H 0.7370 1.2131 -0.0261 0.033 Uiso 1 1 calc R
H8B H 0.7934 1.1937 -0.0407 0.033 Uiso 1 1 calc R
C9 C 0.7348(4) 1.1580(5) -0.0856(3) 0.0303(18) Uani 1 1 d .
H9A H 0.6988 1.1417 -0.0842 0.036 Uiso 1 1 calc R
H9B H 0.7551 1.1203 -0.0984 0.036 Uiso 1 1 calc R
C10 C 0.7291(8) 1.1949(9) -0.1750(4) 0.101(6) Uani 1 1 d .
H10A H 0.7384 1.1456 -0.1726 0.151 Uiso 1 1 calc R
H10B H 0.7518 1.2182 -0.1949 0.151 Uiso 1 1 calc R
H10C H 0.6931 1.1993 -0.1866 0.151 Uiso 1 1 calc R
C57 C 0.6152(4) 1.0252(5) -0.0974(3) 0.0325(19) Uani 1 1 d .
C58 C 0.5892(4) 1.0050(5) -0.1727(3) 0.037(2) Uani 1 1 d .
H58 H 0.5667 0.9647 -0.1823 0.044 Uiso 1 1 calc R
C59 C 0.5567(4) 1.0653(6) -0.1560(3) 0.036(2) Uani 1 1 d .
H59 H 0.5194 1.0522 -0.1557 0.043 Uiso 1 1 calc R
C60 C 0.5992(4) 1.1029(5) -0.2190(3) 0.036(2) Uani 1 1 d .
C61 C 0.5564(4) 1.1246(6) -0.0785(3) 0.040(2) Uani 1 1 d .
H61A H 0.5185 1.1183 -0.0813 0.048 Uiso 1 1 calc R
H61B H 0.5685 1.1110 -0.0482 0.048 Uiso 1 1 calc R
C62 C 0.5322(4) 1.1839(6) -0.1913(3) 0.041(2) Uani 1 1 d .
H62A H 0.4961 1.1720 -0.1856 0.049 Uiso 1 1 calc R
H62B H 0.5327 1.2004 -0.2220 0.049 Uiso 1 1 calc R
C63 C 0.6031(4) 1.2341(5) -0.0558(3) 0.037(2) Uani 1 1 d .
C64 C 0.5378(4) 1.2458(6) -0.1139(3) 0.038(2) Uani 1 1 d .
H64 H 0.4999 1.2410 -0.1103 0.045 Uiso 1 1 calc R
C65 C 0.5594(4) 1.3227(6) -0.0992(3) 0.042(3) Uani 1 1 d .
H65 H 0.5318 1.3517 -0.0869 0.051 Uiso 1 1 calc R
C66 C 0.5711(4) 1.3038(6) -0.1775(4) 0.045(3) Uani 1 1 d .
C67 C 0.6228(4) 1.3615(5) -0.0370(3) 0.039(2) Uani 1 1 d .
H67A H 0.5965 1.3976 -0.0324 0.047 Uiso 1 1 calc R
H67B H 0.6324 1.3400 -0.0081 0.047 Uiso 1 1 calc R
C68 C 0.5924(4) 1.4208(5) -0.1461(4) 0.045(3) Uani 1 1 d .
H68A H 0.5699 1.4516 -0.1297 0.054 Uiso 1 1 calc R
H68B H 0.5879 1.4338 -0.1776 0.054 Uiso 1 1 calc R
C69 C 0.7170(4) 1.3833(5) -0.0348(3) 0.035(2) Uani 1 1 d .
C70 C 0.6669(4) 1.4519(5) -0.0849(3) 0.041(2) Uani 1 1 d .
H70 H 0.6476 1.4926 -0.0737 0.050 Uiso 1 1 calc R
C71 C 0.7253(4) 1.4717(5) -0.0893(3) 0.036(2) Uani 1 1 d U
H71 H 0.7323 1.5225 -0.0847 0.044 Uiso 1 1 calc R
C72 C 0.6870(5) 1.4332(6) -0.1595(3) 0.048(3) Uani 1 1 d .
C73 C 0.8089(4) 1.4288(5) -0.0436(3) 0.037(2) Uani 1 1 d .
H73A H 0.8216 1.4771 -0.0470 0.045 Uiso 1 1 calc R
H73B H 0.8159 1.4152 -0.0124 0.045 Uiso 1 1 calc R
C74 C 0.7810(4) 1.4643(5) -0.1564(3) 0.042(2) Uani 1 1 d .
H74A H 0.7726 1.4727 -0.1881 0.051 Uiso 1 1 calc R
H74B H 0.7963 1.5076 -0.1435 0.051 Uiso 1 1 calc R
C75 C 0.8568(4) 1.3174(5) -0.0559(3) 0.036(2) Uani 1 1 d .
C76 C 0.8591(4) 1.4034(5) -0.1132(3) 0.038(2) Uani 1 1 d .
H76 H 0.8800 1.4471 -0.1100 0.045 Uiso 1 1 calc R
C77 C 0.8929(4) 1.3396(5) -0.1252(3) 0.0321(19) Uani 1 1 d .
H77 H 0.9297 1.3540 -0.1273 0.038 Uiso 1 1 calc R
C78 C 0.8278(4) 1.3586(5) -0.1839(3) 0.034(2) Uani 1 1 d .
C79 C 0.9144(3) 1.2237(5) -0.0845(3) 0.034(2) Uani 1 1 d .
H79A H 0.9131 1.2080 -0.0536 0.041 Uiso 1 1 calc R
H79B H 0.9511 1.2296 -0.0907 0.041 Uiso 1 1 calc R
C80 C 0.8966(4) 1.2726(5) -0.1993(3) 0.0316(19) Uani 1 1 d .
H80A H 0.9344 1.2801 -0.1950 0.038 Uiso 1 1 calc R
H80B H 0.8858 1.2868 -0.2298 0.038 Uiso 1 1 calc R
C81 C 0.8703(3) 1.1081(5) -0.0974(3) 0.0306(19) Uani 1 1 d .
C82 C 0.9108(4) 1.1549(5) -0.1572(3) 0.037(2) Uani 1 1 d .
H82 H 0.9493 1.1586 -0.1563 0.045 Uiso 1 1 calc R
C83 C 0.8922(4) 1.0804(5) -0.1705(3) 0.033(2) Uani 1 1 d .
H83 H 0.9219 1.0489 -0.1756 0.040 Uiso 1 1 calc R
C84 C 0.8587(4) 1.1571(5) -0.2250(3) 0.0315(19) Uani 1 1 d .
C85 C 0.8462(4) 0.9877(5) -0.1231(3) 0.0300(18) Uani 1 1 d .
H85A H 0.8706 0.9543 -0.1353 0.036 Uiso 1 1 calc R
H85B H 0.8460 0.9788 -0.0911 0.036 Uiso 1 1 calc R
C86 C 0.8394(4) 1.0273(5) -0.2359(3) 0.038(2) Uani 1 1 d .
H86A H 0.8364 1.0395 -0.2676 0.045 Uiso 1 1 calc R
H86B H 0.8647 0.9889 -0.2319 0.045 Uiso 1 1 calc R
C87 C 0.7514(4) 0.9631(5) -0.1181(3) 0.0314(19) Uani 1 1 d .
C88 C 0.7847(4) 0.9481(4) -0.1884(3) 0.0303(19) Uani 1 1 d .
H88 H 0.8055 0.9057 -0.1943 0.036 Uiso 1 1 calc R
C89 C 0.7240(4) 0.9331(5) -0.1918(3) 0.036(2) Uani 1 1 d .
H89 H 0.7160 0.8863 -0.2051 0.043 Uiso 1 1 calc R
C90 C 0.7419(4) 1.0275(5) -0.2391(3) 0.0322(19) Uani 1 1 d .
C91 C 0.6576(4) 0.9246(5) -0.1322(3) 0.036(2) Uani 1 1 d .
H91A H 0.6407 0.8889 -0.1516 0.043 Uiso 1 1 calc R
H91B H 0.6598 0.9057 -0.1019 0.043 Uiso 1 1 calc R
C92 C 0.6491(4) 0.9949(5) -0.2382(3) 0.036(2) Uani 1 1 d .
H92A H 0.6355 0.9470 -0.2424 0.044 Uiso 1 1 calc R
H92B H 0.6479 1.0179 -0.2673 0.044 Uiso 1 1 calc R
Dy3 Dy 0.748454(15) 0.74331(2) 0.369132(11) 0.02615(8) Uani 1 1 d .
S3 S 0.75785(15) 0.73470(15) 0.61226(9) 0.0583(8) Uani 1 1 d .
O19 O 0.7532(3) 0.6575(4) 0.4239(2) 0.0369(15) Uani 1 1 d .
O20 O 0.6734(2) 0.6298(3) 0.4456(2) 0.0305(13) Uani 1 1 d .
O21 O 0.8191(3) 0.6649(3) 0.3566(2) 0.0340(14) Uani 1 1 d .
O22 O 0.7310(3) 0.7051(3) 0.29410(19) 0.0350(14) Uani 1 1 d .
O23 O 0.6629(3) 0.6937(3) 0.3645(2) 0.0346(14) Uani 1 1 d .
O24 O 0.7009(3) 0.7994(3) 0.4266(2) 0.0343(14) Uani 1 1 d .
O25 O 0.8123(2) 0.7949(4) 0.42229(19) 0.0367(15) Uani 1 1 d .
O26 O 0.8063(3) 0.8161(3) 0.3280(2) 0.0357(14) Uani 1 1 d .
O27 O 0.6987(3) 0.8393(3) 0.3361(2) 0.0336(14) Uani 1 1 d .
O73 O 0.8732(3) 0.7080(4) 0.5245(2) 0.0370(14) Uani 1 1 d .
O74 O 0.9134(3) 0.8142(4) 0.7165(2) 0.0450(18) Uani 1 1 d .
O75 O 0.8687(3) 0.5196(3) 0.5550(2) 0.0325(14) Uani 1 1 d .
O76 O 0.8775(3) 0.6403(4) 0.7459(2) 0.0417(16) Uani 1 1 d .
O77 O 0.7510(2) 0.4779(3) 0.56733(19) 0.0290(13) Uani 1 1 d .
O78 O 0.7510(3) 0.5749(3) 0.75881(18) 0.0331(14) Uani 1 1 d .
O79 O 0.6402(3) 0.6075(4) 0.5440(2) 0.0369(15) Uani 1 1 d .
O80 O 0.6478(3) 0.6792(4) 0.7474(2) 0.0439(17) Uani 1 1 d .
O81 O 0.6512(3) 0.7905(4) 0.5109(2) 0.0416(16) Uani 1 1 d .
O82 O 0.6829(3) 0.8503(4) 0.7114(2) 0.0448(17) Uani 1 1 d .
O83 O 0.7723(3) 0.8434(3) 0.4983(2) 0.0352(14) Uani 1 1 d .
O84 O 0.8087(3) 0.9132(5) 0.6947(2) 0.054(2) Uani 1 1 d .
N3 N 0.8007(3) 0.5851(4) 0.4910(2) 0.0273(15) Uani 1 1 d .
N55 N 0.9002(3) 0.8055(4) 0.5674(3) 0.0314(16) Uani 1 1 d .
N56 N 0.9336(3) 0.6994(4) 0.5853(2) 0.0290(15) Uani 1 1 d .
N57 N 0.9461(3) 0.7406(4) 0.6626(2) 0.0339(16) Uani 1 1 d .
N58 N 0.9210(3) 0.8500(4) 0.6432(3) 0.0342(17) Uani 1 1 d U
N59 N 0.9207(3) 0.5791(4) 0.6094(2) 0.0289(16) Uani 1 1 d .
N60 N 0.8732(3) 0.4875(4) 0.6297(2) 0.0293(15) Uani 1 1 d .
N61 N 0.8767(3) 0.5354(4) 0.7060(2) 0.0338(17) Uani 1 1 d .
N62 N 0.9302(3) 0.6200(4) 0.6873(2) 0.0309(16) Uani 1 1 d .
N63 N 0.7852(3) 0.4400(4) 0.6376(2) 0.0277(15) Uani 1 1 d .
N64 N 0.7014(3) 0.4788(4) 0.6304(2) 0.0326(17) Uani 1 1 d .
N65 N 0.7001(3) 0.5061(4) 0.7108(2) 0.0324(17) Uani 1 1 d .
N66 N 0.7868(3) 0.4926(4) 0.7126(2) 0.0311(16) Uani 1 1 d .
N67 N 0.6322(3) 0.5636(4) 0.6164(2) 0.0305(16) Uani 1 1 d .
N68 N 0.5974(3) 0.6680(5) 0.5987(3) 0.0372(18) Uani 1 1 d .
N69 N 0.6021(3) 0.6975(4) 0.6789(3) 0.0384(19) Uani 1 1 d .
N70 N 0.6289(3) 0.5889(4) 0.6963(2) 0.0361(18) Uani 1 1 d .
N71 N 0.6078(3) 0.7896(5) 0.5772(3) 0.0383(19) Uani 1 1 d .
N72 N 0.6598(4) 0.8823(4) 0.5617(3) 0.0369(18) Uani 1 1 d .
N73 N 0.6725(4) 0.9064(5) 0.6425(3) 0.042(2) Uani 1 1 d .
N74 N 0.6187(3) 0.8201(4) 0.6571(3) 0.0380(18) Uani 1 1 d .
N75 N 0.7474(3) 0.9274(4) 0.5486(3) 0.0349(17) Uani 1 1 d .
N76 N 0.8324(3) 0.8945(4) 0.5515(3) 0.0349(18) Uani 1 1 d .
N77 N 0.8486(4) 0.9316(4) 0.6291(3) 0.0384(19) Uani 1 1 d .
N78 N 0.7616(4) 0.9448(5) 0.6290(3) 0.044(2) Uani 1 1 d .
C11 C 0.7222(3) 0.6344(4) 0.4527(3) 0.0250(17) Uani 1 1 d .
C12 C 0.7470(3) 0.6104(4) 0.4977(3) 0.0250(17) Uani 1 1 d .
H12 H 0.7261 0.5718 0.5097 0.030 Uiso 1 1 calc R
C13 C 0.7477(4) 0.6741(4) 0.5296(3) 0.0311(19) Uani 1 1 d .
H13A H 0.7718 0.7095 0.5191 0.037 Uiso 1 1 calc R
H13B H 0.7128 0.6951 0.5283 0.037 Uiso 1 1 calc R
C14 C 0.7636(4) 0.6567(5) 0.5768(3) 0.038(2) Uani 1 1 d .
H14A H 0.7997 0.6398 0.5790 0.046 Uiso 1 1 calc R
H14B H 0.7412 0.6190 0.5872 0.046 Uiso 1 1 calc R
C15 C 0.7579(7) 0.6964(10) 0.6679(6) 0.097(5) Uani 1 1 d U
H15A H 0.7311 0.6606 0.6684 0.146 Uiso 1 1 calc R
H15B H 0.7510 0.7329 0.6892 0.146 Uiso 1 1 calc R
H15C H 0.7917 0.6754 0.6757 0.146 Uiso 1 1 calc R
C93 C 0.8985(4) 0.7362(5) 0.5552(3) 0.036(2) Uani 1 1 d .
C94 C 0.9401(4) 0.8225(5) 0.6026(3) 0.038(2) Uani 1 1 d .
H94 H 0.9679 0.8526 0.5915 0.045 Uiso 1 1 calc R
C95 C 0.9618(3) 0.7465(6) 0.6173(3) 0.036(2) Uani 1 1 d .
H95 H 1.0001 0.7431 0.6157 0.043 Uiso 1 1 calc R
C96 C 0.9248(5) 0.8035(6) 0.6781(4) 0.045(3) Uani 1 1 d .
C97 C 0.9475(4) 0.6252(5) 0.5798(3) 0.034(2) Uani 1 1 d .
H97A H 0.9388 0.6111 0.5489 0.041 Uiso 1 1 calc R
H97B H 0.9853 0.6197 0.5856 0.041 Uiso 1 1 calc R
C98 C 0.9625(4) 0.6834(5) 0.6927(3) 0.035(2) Uani 1 1 d .
H98A H 0.9616 0.7001 0.7234 0.042 Uiso 1 1 calc R
H98B H 0.9988 0.6711 0.6877 0.042 Uiso 1 1 calc R
C99 C 0.8853(4) 0.5279(5) 0.5949(3) 0.0324(19) Uani 1 1 d .
C100 C 0.9412(3) 0.5657(5) 0.6563(3) 0.0286(18) Uani 1 1 d .
H100 H 0.9786 0.5523 0.6582 0.034 Uiso 1 1 calc R
C101 C 0.9055(3) 0.5042(5) 0.6700(3) 0.0293(18) Uani 1 1 d .
H101 H 0.9263 0.4630 0.6806 0.035 Uiso 1 1 calc R
C102 C 0.8926(4) 0.6030(5) 0.7157(3) 0.0311(19) Uani 1 1 d .
C103 C 0.8389(4) 0.4262(4) 0.6254(3) 0.0302(18) Uani 1 1 d .
H10D H 0.8537 0.3884 0.6443 0.036 Uiso 1 1 calc R
H10E H 0.8377 0.4096 0.5945 0.036 Uiso 1 1 calc R
C104 C 0.8405(4) 0.4961(5) 0.7323(3) 0.0323(19) Uani 1 1 d .
H10F H 0.8400 0.5179 0.7618 0.039 Uiso 1 1 calc R
H10G H 0.8538 0.4480 0.7366 0.039 Uiso 1 1 calc R
C105 C 0.7471(3) 0.4679(4) 0.6080(3) 0.0250(17) Uani 1 1 d U
C106 C 0.7674(4) 0.4352(4) 0.6828(3) 0.032(2) Uani 1 1 d .
H106 H 0.7746 0.3882 0.6961 0.038 Uiso 1 1 calc R
C107 C 0.7082(4) 0.4506(5) 0.6769(3) 0.0311(19) Uani 1 1 d .
H107 H 0.6868 0.4082 0.6813 0.037 Uiso 1 1 calc R
C108 C 0.7471(4) 0.5306(5) 0.7299(3) 0.0314(19) Uani 1 1 d .
C109 C 0.6515(4) 0.4934(6) 0.6079(3) 0.038(2) Uani 1 1 d .
H10H H 0.6261 0.4589 0.6174 0.045 Uiso 1 1 calc R
H10I H 0.6543 0.4876 0.5758 0.045 Uiso 1 1 calc R
C110 C 0.6511(4) 0.5298(6) 0.7225(3) 0.038(2) Uani 1 1 d .
H11A H 0.6540 0.5437 0.7539 0.046 Uiso 1 1 calc R
H11B H 0.6265 0.4903 0.7197 0.046 Uiso 1 1 calc R
C111 C 0.6248(4) 0.6127(5) 0.5818(3) 0.033(2) Uani 1 1 d .
C112 C 0.6001(4) 0.5795(5) 0.6539(3) 0.036(2) Uani 1 1 d .
H112 H 0.5718 0.5445 0.6561 0.043 Uiso 1 1 calc R
C113 C 0.5776(4) 0.6541(5) 0.6419(3) 0.034(2) Uani 1 1 d .
H113 H 0.5390 0.6553 0.6410 0.041 Uiso 1 1 calc R
C114 C 0.6292(4) 0.6588(6) 0.7104(3) 0.037(2) Uani 1 1 d .
C115 C 0.5783(3) 0.7264(5) 0.5691(3) 0.033(2) Uani 1 1 d .
H11C H 0.5807 0.7123 0.5380 0.040 Uiso 1 1 calc R
H11D H 0.5415 0.7356 0.5739 0.040 Uiso 1 1 calc R
C116 C 0.5894(5) 0.7716(6) 0.6839(3) 0.047(3) Uani 1 1 d .
H11E H 0.5955 0.7845 0.7152 0.056 Uiso 1 1 calc R
H11F H 0.5521 0.7780 0.6759 0.056 Uiso 1 1 calc R
C117 C 0.6406(4) 0.8168(5) 0.5466(3) 0.032(2) Uani 1 1 d .
C118 C 0.5988(4) 0.8434(7) 0.6123(4) 0.050(3) Uani 1 1 d .
H118 H 0.5620 0.8589 0.6118 0.060 Uiso 1 1 calc R
C119 C 0.6360(4) 0.9037(6) 0.6027(3) 0.041(2) Uani 1 1 d .
H119 H 0.6169 0.9486 0.5985 0.049 Uiso 1 1 calc R
C120 C 0.6607(4) 0.8580(5) 0.6738(3) 0.038(2) Uani 1 1 d .
C121 C 0.6928(4) 0.9277(5) 0.5361(3) 0.036(2) Uani 1 1 d .
H12A H 0.6881 0.9141 0.5048 0.043 Uiso 1 1 calc R
H12B H 0.6801 0.9761 0.5385 0.043 Uiso 1 1 calc R
C122 C 0.7112(5) 0.9599(5) 0.6499(3) 0.043(2) Uani 1 1 d .
H12C H 0.7184 0.9658 0.6820 0.051 Uiso 1 1 calc R
H12D H 0.6971 1.0044 0.6380 0.051 Uiso 1 1 calc R
C123 C 0.7828(4) 0.8828(5) 0.5290(3) 0.032(2) Uani 1 1 d .
C124 C 0.7719(4) 0.9685(5) 0.5864(3) 0.037(2) Uani 1 1 d U
H124 H 0.7649 1.0196 0.5830 0.045 Uiso 1 1 calc R
C125 C 0.8319(4) 0.9510(5) 0.5837(3) 0.035(2) Uani 1 1 d .
H125 H 0.8514 0.9925 0.5737 0.042 Uiso 1 1 calc R
C126 C 0.8053(5) 0.9263(6) 0.6559(3) 0.045(3) Uani 1 1 d .
C127 C 0.8782(4) 0.8606(5) 0.5368(3) 0.035(2) Uani 1 1 d .
H12E H 0.9050 0.8964 0.5330 0.042 Uiso 1 1 calc R
H12F H 0.8696 0.8393 0.5076 0.042 Uiso 1 1 calc R
C128 C 0.8998(4) 0.9232(6) 0.6471(4) 0.045(2) Uani 1 1 d U
H12G H 0.9011 0.9362 0.6786 0.054 Uiso 1 1 calc R
H12H H 0.9225 0.9558 0.6321 0.054 Uiso 1 1 calc R
Dy4 Dy 0.742750(16) 0.21213(2) 0.622054(12) 0.02660(8) Uani 1 1 d .
S4 S 0.73622(12) 0.21567(15) 0.38870(8) 0.0495(6) Uani 1 1 d .
O28 O 0.7464(2) 0.3031(3) 0.57081(18) 0.0270(12) Uani 1 1 d .
O29 O 0.6664(2) 0.3456(3) 0.5504(2) 0.0320(13) Uani 1 1 d .
O30 O 0.6718(3) 0.2892(4) 0.6339(2) 0.0378(15) Uani 1 1 d .
O31 O 0.7563(3) 0.2547(3) 0.69570(19) 0.0363(14) Uani 1 1 d .
O32 O 0.8319(2) 0.2508(3) 0.62756(19) 0.0328(13) Uani 1 1 d .
O33 O 0.7862(3) 0.1482(3) 0.56562(19) 0.0336(14) Uani 1 1 d .
O34 O 0.6767(3) 0.1699(4) 0.5667(2) 0.0434(17) Uani 1 1 d .
O35 O 0.6822(3) 0.1423(4) 0.6610(2) 0.0393(16) Uani 1 1 d .
O36 O 0.7889(3) 0.1138(3) 0.6560(2) 0.0375(15) Uani 1 1 d .
O85 O 0.8678(3) 0.3629(4) 0.44646(18) 0.0328(14) Uani 1 1 d .
O86 O 0.8647(3) 0.2673(3) 0.25110(19) 0.0356(14) Uani 1 1 d .
O87 O 0.7705(2) 0.4761(3) 0.42862(18) 0.0280(13) Uani 1 1 d .
O88 O 0.7601(3) 0.3642(3) 0.23562(19) 0.0338(14) Uani 1 1 d .
O89 O 0.6376(2) 0.4043(3) 0.44316(18) 0.0276(13) Uani 1 1 d .
O90 O 0.6369(3) 0.2901(3) 0.2494(2) 0.0334(14) Uani 1 1 d .
O91 O 0.6209(2) 0.2070(4) 0.47471(18) 0.0351(13) Uani 1 1 d .
O92 O 0.5997(3) 0.1207(4) 0.2755(2) 0.0407(16) Uani 1 1 d .
O93 O 0.7221(3) 0.0998(3) 0.49413(18) 0.0302(13) Uani 1 1 d .
O94 O 0.7042(3) 0.0265(4) 0.2958(2) 0.0436(17) Uani 1 1 d .
O95 O 0.8433(2) 0.1766(3) 0.48062(18) 0.0295(13) Uani 1 1 d .
O96 O 0.8404(3) 0.0966(3) 0.28136(18) 0.0325(14) Uani 1 1 d .
N4 N 0.7884(3) 0.3787(4) 0.5062(2) 0.0264(15) Uani 1 1 d .
H4A H 0.7956 0.4128 0.5222 0.032 Uiso 1 1 d R
H4B H 0.7963 0.3929 0.4823 0.032 Uiso 1 1 d R
H4C H 0.8115 0.3397 0.5152 0.032 Uiso 1 1 d R
N79 N 0.9141(3) 0.2945(4) 0.3978(2) 0.0286(16) Uani 1 1 d .
N80 N 0.8849(3) 0.4013(4) 0.3751(2) 0.0306(16) Uani 1 1 d .
N81 N 0.8873(3) 0.3649(4) 0.2965(2) 0.0303(16) Uani 1 1 d .
N82 N 0.9118(3) 0.2572(3) 0.3198(2) 0.0246(15) Uani 1 1 d .
N83 N 0.8134(3) 0.4850(4) 0.3622(2) 0.0283(15) Uani 1 1 d .
N84 N 0.7250(3) 0.4872(4) 0.3588(2) 0.0296(16) Uani 1 1 d .
N85 N 0.7212(3) 0.4480(4) 0.2804(2) 0.0300(16) Uani 1 1 d .
N86 N 0.8085(3) 0.4347(4) 0.2869(2) 0.0325(17) Uani 1 1 d .
N87 N 0.6378(3) 0.4384(4) 0.3685(2) 0.0348(17) Uani 1 1 d .
N88 N 0.5908(3) 0.3451(4) 0.3853(2) 0.0362(18) Uani 1 1 d .
N89 N 0.5812(3) 0.3086(4) 0.3074(2) 0.0286(15) Uani 1 1 d .
N90 N 0.6398(3) 0.3921(4) 0.2927(2) 0.0271(15) Uani 1 1 d .
N91 N 0.5726(3) 0.2229(4) 0.4075(2) 0.0331(17) Uani 1 1 d .
N92 N 0.5964(3) 0.1133(4) 0.4273(2) 0.0329(17) Uani 1 1 d .
N93 N 0.5897(4) 0.0785(4) 0.3481(3) 0.0385(19) Uani 1 1 d .
N94 N 0.5600(3) 0.1867(4) 0.3288(2) 0.0329(17) Uani 1 1 d .
N95 N 0.6721(3) 0.0357(5) 0.4405(3) 0.0354(17) Uani 1 1 d .
N96 N 0.7587(3) 0.0223(4) 0.4430(2) 0.0278(15) Uani 1 1 d .
N97 N 0.7517(3) 0.0014(4) 0.3616(2) 0.0353(18) Uani 1 1 d .
N98 N 0.6653(3) 0.0045(4) 0.3609(2) 0.0320(16) Uani 1 1 d .
N99 N 0.8449(3) 0.0798(4) 0.4336(2) 0.0272(15) Uani 1 1 d .
N100 N 0.8925(3) 0.1728(4) 0.4172(2) 0.0291(15) Uani 1 1 d .
N101 N 0.8992(3) 0.1336(4) 0.3395(2) 0.0295(16) Uani 1 1 d .
N102 N 0.8374(3) 0.0536(4) 0.3535(2) 0.0288(15) Uani 1 1 d .
C16 C 0.7125(4) 0.3333(5) 0.5438(3) 0.0315(19) Uani 1 1 d .
C17 C 0.7330(3) 0.3504(5) 0.4976(3) 0.0278(18) Uani 1 1 d .
H17 H 0.7107 0.3872 0.4828 0.033 Uiso 1 1 calc R
C18 C 0.7319(3) 0.2848(5) 0.4688(3) 0.0272(17) Uani 1 1 d .
H18A H 0.6970 0.2639 0.4685 0.033 Uiso 1 1 calc R
H18B H 0.7567 0.2505 0.4823 0.033 Uiso 1 1 calc R
C19 C 0.7457(4) 0.2983(4) 0.4206(3) 0.0309(19) Uani 1 1 d .
H19A H 0.7820 0.3139 0.4201 0.037 Uiso 1 1 calc R
H19B H 0.7232 0.3353 0.4073 0.037 Uiso 1 1 calc R
C20 C 0.7627(4) 0.2462(7) 0.3375(4) 0.055(3) Uani 1 1 d U
H20A H 0.7445 0.2885 0.3273 0.083 Uiso 1 1 calc R
H20B H 0.7583 0.2099 0.3150 0.083 Uiso 1 1 calc R
H20C H 0.7996 0.2566 0.3430 0.083 Uiso 1 1 calc R
C129 C 0.8863(3) 0.3531(5) 0.4103(3) 0.0304(19) Uani 1 1 d .
C130 C 0.9353(3) 0.3017(5) 0.3537(3) 0.0296(18) Uani 1 1 d .
H130 H 0.9738 0.2976 0.3555 0.036 Uiso 1 1 calc R
C131 C 0.9169(4) 0.3783(5) 0.3390(3) 0.0268(17) Uani 1 1 d .
H131 H 0.9468 0.4102 0.3354 0.032 Uiso 1 1 calc R
C132 C 0.8848(3) 0.2924(5) 0.2862(3) 0.0275(18) Uani 1 1 d .
C133 C 0.8652(4) 0.4740(5) 0.3801(3) 0.0307(19) Uani 1 1 d .
H13C H 0.8669 0.4858 0.4119 0.037 Uiso 1 1 calc R
H13D H 0.8884 0.5064 0.3656 0.037 Uiso 1 1 calc R
C134 C 0.8602(3) 0.4173(5) 0.2711(3) 0.0273(18) Uani 1 1 d .
H13E H 0.8557 0.4014 0.2401 0.033 Uiso 1 1 calc R
H13F H 0.8816 0.4601 0.2716 0.033 Uiso 1 1 calc R
C135 C 0.7698(4) 0.4826(4) 0.3877(3) 0.0277(18) Uani 1 1 d .
C136 C 0.7988(4) 0.4955(5) 0.3159(3) 0.0302(18) Uani 1 1 d .
H136 H 0.8152 0.5386 0.3047 0.036 Uiso 1 1 calc R
C137 C 0.7382(4) 0.5022(4) 0.3129(3) 0.0303(19) Uani 1 1 d .
H137 H 0.7266 0.5498 0.3031 0.036 Uiso 1 1 calc R
C138 C 0.7645(4) 0.4118(4) 0.2653(3) 0.0263(17) Uani 1 1 d .
C139 C 0.6740(4) 0.4991(5) 0.3750(3) 0.0298(18) Uani 1 1 d .
H13G H 0.6583 0.5402 0.3598 0.036 Uiso 1 1 calc R
H13H H 0.6781 0.5102 0.4068 0.036 Uiso 1 1 calc R
C140 C 0.6686(4) 0.4353(4) 0.2639(3) 0.0286(18) Uani 1 1 d .
H14C H 0.6689 0.4125 0.2347 0.034 Uiso 1 1 calc R
H14D H 0.6506 0.4806 0.2597 0.034 Uiso 1 1 calc R
C141 C 0.6231(3) 0.3967(5) 0.4039(3) 0.0300(18) Uani 1 1 d .
C142 C 0.6076(4) 0.4227(5) 0.3272(3) 0.034(2) Uani 1 1 d .
H142 H 0.5870 0.4637 0.3159 0.040 Uiso 1 1 calc R
C143 C 0.5722(3) 0.3607(5) 0.3404(3) 0.0311(19) Uani 1 1 d .
H143 H 0.5351 0.3750 0.3390 0.037 Uiso 1 1 calc R
C144 C 0.6205(3) 0.3241(5) 0.2799(3) 0.0276(18) Uani 1 1 d .
C145 C 0.5611(4) 0.2969(6) 0.4138(3) 0.040(2) Uani 1 1 d .
H14E H 0.5692 0.3091 0.4451 0.047 Uiso 1 1 calc R
H14F H 0.5237 0.3045 0.4073 0.047 Uiso 1 1 calc R
C146 C 0.5482(3) 0.2450(6) 0.2992(3) 0.0352(19) Uani 1 1 d .
H14G H 0.5116 0.2583 0.3016 0.042 Uiso 1 1 calc R
H14H H 0.5520 0.2292 0.2686 0.042 Uiso 1 1 calc R
C147 C 0.6000(4) 0.1860(5) 0.4396(3) 0.033(2) Uani 1 1 d .
C148 C 0.5450(3) 0.1803(6) 0.3743(3) 0.034(2) Uani 1 1 d .
H148 H 0.5068 0.1852 0.3758 0.041 Uiso 1 1 calc R
C149 C 0.5632(4) 0.1043(5) 0.3867(3) 0.036(2) Uani 1 1 d .
H149 H 0.5328 0.0742 0.3922 0.043 Uiso 1 1 calc R
C150 C 0.5866(4) 0.1290(5) 0.3141(3) 0.037(2) Uani 1 1 d .
C151 C 0.6204(4) 0.0581(5) 0.4546(3) 0.034(2) Uani 1 1 d .
H15D H 0.5971 0.0172 0.4537 0.041 Uiso 1 1 calc R
H15E H 0.6243 0.0745 0.4855 0.041 Uiso 1 1 calc R
C152 C 0.6105(4) 0.0104(4) 0.3430(3) 0.035(2) Uani 1 1 d .
H15F H 0.6086 -0.0018 0.3114 0.041 Uiso 1 1 calc R
H15G H 0.5892 -0.0236 0.3583 0.041 Uiso 1 1 calc R
C153 C 0.7175(4) 0.0581(4) 0.4625(3) 0.0273(18) Uani 1 1 d .
C154 C 0.6799(4) -0.0165(5) 0.4067(3) 0.0290(18) Uani 1 1 d .
H154 H 0.6636 -0.0618 0.4141 0.035 Uiso 1 1 calc R
C155 C 0.7418(4) -0.0235(5) 0.4074(3) 0.0327(19) Uani 1 1 d .
H155 H 0.7537 -0.0725 0.4127 0.039 Uiso 1 1 calc R
C156 C 0.7072(4) 0.0122(5) 0.3352(3) 0.037(2) Uani 1 1 d .
C157 C 0.8130(4) 0.0333(5) 0.4599(3) 0.0323(19) Uani 1 1 d .
H15H H 0.8302 -0.0128 0.4622 0.039 Uiso 1 1 calc R
H15I H 0.8128 0.0525 0.4901 0.039 Uiso 1 1 calc R
C158 C 0.8025(4) -0.0042(5) 0.3425(3) 0.038(2) Uani 1 1 d .
H15J H 0.8192 -0.0480 0.3529 0.046 Uiso 1 1 calc R
H15K H 0.7970 -0.0071 0.3101 0.046 Uiso 1 1 calc R
C159 C 0.8578(3) 0.1461(5) 0.4463(3) 0.0290(18) Uani 1 1 d .
C160 C 0.8698(3) 0.0566(5) 0.3949(3) 0.0279(18) Uani 1 1 d .
H160 H 0.8887 0.0117 0.4006 0.033 Uiso 1 1 calc R
C161 C 0.9084(4) 0.1179(5) 0.3866(3) 0.0308(19) Uani 1 1 d .
H161 H 0.9450 0.1034 0.3936 0.037 Uiso 1 1 calc R
C162 C 0.8569(3) 0.0954(5) 0.3206(3) 0.0270(17) Uani 1 1 d .
C163 C 0.9244(3) 0.2359(5) 0.4280(3) 0.0322(18) Uani 1 1 d .
H16A H 0.9180 0.2512 0.4583 0.039 Uiso 1 1 calc R
H16B H 0.9614 0.2232 0.4277 0.039 Uiso 1 1 calc R
C164 C 0.9286(4) 0.1843(5) 0.3151(3) 0.0318(19) Uani 1 1 d .
H16C H 0.9256 0.1718 0.2835 0.038 Uiso 1 1 calc R
H16D H 0.9655 0.1808 0.3253 0.038 Uiso 1 1 calc R
Dy5 Dy 0.5000 0.48161(5) 0.5000 0.04954(19) Uani 1 2 d S
O37 O 0.4739(5) 0.4413(7) 0.5730(4) 0.094(4) Uani 1 1 d .
O38 O 0.5250(4) 0.5329(7) 0.5739(3) 0.090(4) Uani 1 1 d .
O39 O 0.4839(6) 0.5094(7) 0.6357(5) 0.112(4) Uani 1 1 d U
O40 O 0.5000 0.6109(7) 0.5000 0.069(4) Uani 1 2 d S
O41 O 0.5873(3) 0.5145(4) 0.4879(3) 0.055(2) Uani 1 1 d .
O42 O 0.4440(4) 0.3834(7) 0.4764(4) 0.098(4) Uani 1 1 d .
N5 N 0.4941(5) 0.4981(7) 0.5957(5) 0.077(3) Uani 1 1 d U
Dy6 Dy 1.0000 0.03082(4) 0.0000 0.02956(13) Uani 1 2 d S
O43 O 1.0254(2) 0.0698(4) 0.0768(2) 0.0362(15) Uani 1 1 d .
O44 O 0.9634(3) -0.0046(5) 0.0736(3) 0.060(2) Uani 1 1 d U
O45 O 0.9860(3) 0.0410(5) 0.1362(2) 0.062(2) Uani 1 1 d .
O46 O 1.0000 -0.0901(6) 0.0000 0.050(3) Uani 1 2 d S
O47 O 0.9116(2) -0.0075(4) -0.0154(2) 0.0350(14) Uani 1 1 d .
O48 O 0.9447(3) 0.1301(3) 0.0150(2) 0.0367(14) Uani 1 1 d .
N6 N 0.9917(3) 0.0357(4) 0.0969(2) 0.0335(17) Uani 1 1 d .
O97 O 0.9858(4) 0.3026(7) 0.7214(3) 0.084(3) Uani 1 1 d .
O98 O 0.9331(5) 0.2446(6) 0.6772(4) 0.103(4) Uani 1 1 d .
O99 O 0.9090(4) 0.3428(5) 0.7036(3) 0.074(3) Uani 1 1 d .
O100 O 0.9011(5) 0.5724(7) 0.8531(3) 0.089(4) Uani 1 1 d .
O101 O 0.9737(5) 0.5753(7) 0.8213(4) 0.099(4) Uani 1 1 d .
O102 O 0.9252(4) 0.4838(5) 0.8176(3) 0.070(2) Uani 1 1 d .
O103 O 0.9712(5) 0.8677(7) 0.2984(4) 0.091(4) Uani 1 1 d .
O104 O 0.9161(4) 0.8344(5) 0.3458(3) 0.065(2) Uani 1 1 d .
O105 O 0.9131(4) 0.9414(5) 0.3156(3) 0.069(3) Uani 1 1 d .
O106 O 0.4210(7) 0.8398(10) 0.2101(6) 0.131(5) Uani 1 1 d U
O107 O 0.4967(8) 0.7967(10) 0.2357(6) 0.147(6) Uani 1 1 d U
O108 O 0.4393(6) 0.7366(7) 0.1834(5) 0.117(5) Uani 1 1 d .
O109 O 0.5149(5) 0.2364(7) 0.5133(4) 0.057(3) Uani 0.50 1 d PDU
O110 O 0.5326(6) 0.1321(6) 0.5426(5) 0.058(3) Uani 0.50 1 d PDU
O111 O 0.5755(4) 0.2261(6) 0.5677(4) 0.039(2) Uani 0.50 1 d PDU
O112 O 0.9562(5) 0.6558(8) 0.4650(5) 0.135(6) Uani 1 1 d D
O113 O 0.9115(5) 0.7380(5) 0.4267(5) 0.120(5) Uani 1 1 d DU
O114 O 0.8811(3) 0.6305(4) 0.4323(3) 0.0513(19) Uani 1 1 d D
O115 O 0.0547(6) 0.9911(10) 0.5237(5) 0.076(5) Uani 0.50 1 d PDU
O116 O 0.0432(6) 0.9273(9) 0.5818(5) 0.065(3) Uani 0.50 1 d PDU
O117 O -0.0225(5) 0.9775(10) 0.5473(5) 0.063(3) Uani 0.50 1 d PDU
O118 O 0.9679(5) 0.1072(6) 0.6217(4) 0.085(3) Uani 1 1 d U
O119 O 0.8939(4) 0.0974(6) 0.6531(4) 0.083(3) Uani 1 1 d U
O120 O 0.8933(4) 0.1146(5) 0.5813(4) 0.082(3) Uani 1 1 d .
O121 O 0.5508(4) 0.1459(6) 0.0366(4) 0.081(3) Uani 1 1 d .
O122 O 0.5946(5) 0.2263(7) 0.0723(4) 0.098(4) Uani 1 1 d .
O123 O 0.6296(3) 0.1235(5) 0.0638(2) 0.0498(19) Uani 1 1 d .
O124 O 0.4465(4) 0.4989(4) 0.8200(3) 0.070 Uani 1 1 d D
O125 O 0.4821(4) 0.4862(5) 0.7555(3) 0.070 Uani 1 1 d D
O126 O 0.4554(4) 0.3933(4) 0.7914(3) 0.070 Uani 1 1 d D
O127 O 0.5747(4) -0.0148(4) 0.6696(4) 0.0860(17) Uani 1 1 d DU
O128 O 0.5220(4) 0.0651(5) 0.6886(3) 0.0838(17) Uani 1 1 d DU
O129 O 0.5804(4) 0.0928(5) 0.6394(3) 0.0783(16) Uani 1 1 d DU
O130 O 0.4764(3) 0.6118(6) 0.1255(3) 0.070 Uani 1 1 d D
O131 O 0.4071(3) 0.5961(6) 0.1623(2) 0.070 Uani 1 1 d D
O132 O 0.4022(3) 0.6077(6) 0.0862(2) 0.070 Uani 1 1 d D
O133 O 0.5350(3) 0.7618(5) 0.3669(3) 0.070 Uani 1 1 d D
O134 O 0.5943(4) 0.8187(5) 0.4093(2) 0.070 Uani 1 1 d D
O135 O 0.5890(4) 0.8305(5) 0.3325(3) 0.070 Uani 1 1 d D
O136 O 1.0000 0.3649(7) 0.0000 0.0673(18) Uani 1 2 d SU
O137 O 1.0323(8) 0.2683(13) -0.0256(8) 0.0613(19) Uani 0.50 1 d PU
O138 O 0.9821(8) 0.2684(13) 0.0339(8) 0.0605(19) Uani 0.50 1 d PU
O139 O 0.9641(7) 0.3157(6) 0.5333(5) 0.070 Uani 0.50 1 d PD
O140 O 0.9799(7) 0.4127(8) 0.5703(3) 0.070 Uani 0.50 1 d PD
O141 O 1.0000 0.4040(7) 0.5000 0.070 Uani 1 2 d SD
N103 N 0.9444(3) 0.2997(5) 0.7007(3) 0.042(2) Uani 1 1 d .
N104 N 0.9345(4) 0.5441(6) 0.8315(3) 0.051(2) Uani 1 1 d .
N105 N 0.9349(4) 0.8808(5) 0.3191(3) 0.050(2) Uani 1 1 d .
N106 N 0.4528(6) 0.7868(8) 0.2079(5) 0.090(4) Uani 1 1 d .
N107 N 0.5406(6) 0.1987(6) 0.5416(5) 0.055(3) Uani 0.50 1 d PDU
N108 N 0.9152(5) 0.6743(6) 0.4412(4) 0.098(5) Uani 1 1 d D
N109 N 0.0241(5) 0.9657(10) 0.5481(5) 0.058(4) Uani 0.50 1 d PDU
N110 N 0.9184(5) 0.1057(7) 0.6212(4) 0.069(3) Uani 1 1 d U
N111 N 0.5930(5) 0.1616(7) 0.0577(4) 0.073(3) Uani 1 1 d U
N112 N 0.4590(4) 0.4588(4) 0.7882(3) 0.050 Uani 1 1 d D
N113 N 0.5583(3) 0.0476(4) 0.6637(3) 0.050 Uani 1 1 d DU
N114 N 0.4262(3) 0.6096(5) 0.1245(3) 0.050 Uani 1 1 d D
N115 N 0.5739(3) 0.8048(5) 0.3696(2) 0.050 Uani 1 1 d D
N116 N 1.0000 0.3023(8) 0.0000 0.050 Uani 1 2 d SU
N117 N 0.9727(6) 0.3813(7) 0.5328(4) 0.050 Uani 0.50 1 d PD
O142 O 0.6256(3) 0.7838(4) -0.0486(2) 0.0405(16) Uani 1 1 d .
O143 O 0.9272(3) 0.8341(6) -0.0483(4) 0.076(3) Uani 1 1 d .
O144 O 0.8105(4) 0.7984(7) -0.2466(3) 0.078(3) Uani 1 1 d .
O145 O 0.9111(3) 0.7265(5) -0.1792(3) 0.064(2) Uani 1 1 d .
O146 O 0.9120(3) 0.6893(6) -0.0828(3) 0.068(3) Uani 1 1 d .
O147 O 0.8942(3) 1.1151(4) 0.2006(2) 0.0458(18) Uani 1 1 d .
O148 O 0.7035(3) 1.1514(6) 0.2437(3) 0.060(2) Uani 1 1 d .
O149 O 0.6031(4) 1.1895(6) 0.1777(4) 0.080(3) Uani 1 1 d U
O150 O 0.9077(4) 1.3501(7) 0.0804(5) 0.095(4) Uani 1 1 d .
O151 O 0.9219(3) 1.3425(5) 0.1681(3) 0.061(2) Uani 1 1 d .
O152 O 0.5695(4) 0.6799(6) 0.4528(3) 0.079(3) Uani 1 1 d .
O153 O 0.9044(3) 0.6992(4) 0.3107(2) 0.0467(17) Uani 1 1 d .
O154 O 0.6240(3) 0.6110(4) 0.2963(2) 0.0475(18) Uani 1 1 d .
O155 O 0.7991(4) 0.6439(7) 0.2456(3) 0.079(3) Uani 1 1 d .
O156 O 0.8668(2) 0.2845(3) 0.54472(19) 0.0308(13) Uani 1 1 d .
O157 O 0.6812(4) 0.3135(7) 0.7420(3) 0.079(3) Uani 1 1 d .
O158 O 0.5825(3) 0.2354(7) 0.6773(3) 0.081(4) Uani 1 1 d .
O159 O 0.9515(3) 0.9234(4) 0.7805(3) 0.057(2) Uani 1 1 d .
O160 O 1.0247(4) 0.2226(6) 0.8028(5) 0.101(4) Uani 1 1 d .
O161 O 0.9668(4) 1.0102(5) 0.2461(3) 0.064(2) Uani 1 1 d .
O162 O 0.9366(3) 0.8554(5) -0.1411(3) 0.066(2) Uani 1 1 d .
O163 O 0.5323(10) 0.8718(13) -0.0383(8) 0.091(6) Uani 0.50 1 d PU
O164 O 0.5583(7) 0.3607(9) 0.6239(6) 0.056(4) Uani 0.50 1 d PU
O165 O 0.9518(4) 0.5392(6) 0.2847(4) 0.024(2) Uani 0.50 1 d PU
O166 O 0.5534(5) 1.4032(7) -0.2882(4) 0.032(3) Uani 0.50 1 d PU
O167 O 1.0124(5) 0.4296(7) 0.7714(4) 0.033(3) Uani 0.50 1 d PU
O168 O 0.9589(8) 0.1170(11) 0.7356(7) 0.074(5) Uani 0.50 1 d PU
O169 O 0.4628(8) 0.8755(11) 0.1066(6) 0.066(5) Uani 0.50 1 d PU
O170 O 0.5138(8) 0.6404(12) 0.2833(7) 0.078(5) Uani 0.50 1 d PU
O171 O 1.0000 0.7993(8) 0.5000 0.066(3) Uani 1 2 d S
O172 O 0.9653(6) 0.1767(8) 0.5255(5) 0.045(3) Uani 0.50 1 d PU
O173 O 0.5000 0.2829(12) 0.0000 0.114(6) Uani 1 2 d SU
O174 O 0.5690(5) 0.3804(7) 0.0595(4) 0.037(3) Uani 0.50 1 d PU
O175 O 1.0000 0.6886(9) 0.0000 0.088(4) Uani 1 2 d SU
O176 O 0.9738(4) 0.5915(6) -0.0287(4) 0.027(2) Uani 0.50 1 d P
O177 O 0.9563(8) 0.3682(11) 0.6028(7) 0.070(5) Uani 0.50 1 d PU
O178 O 0.5013(6) 0.9541(8) 0.0769(5) 0.050 Uani 0.50 1 d P
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 Dy1 O3 74.1(2) . .
O1 Dy1 O7 82.0(2) . .
O3 Dy1 O7 80.4(2) . .
O1 Dy1 O5 72.6(2) . .
O3 Dy1 O5 120.8(2) . .
O7 Dy1 O5 139.0(2) . .
O1 Dy1 O4 113.0(2) . .
O3 Dy1 O4 74.1(2) . .
O7 Dy1 O4 144.7(2) . .
O5 Dy1 O4 75.9(2) . .
O1 Dy1 O8 142.3(2) . .
O3 Dy1 O8 74.4(2) . .
O7 Dy1 O8 72.8(2) . .
O5 Dy1 O8 143.1(2) . .
O4 Dy1 O8 77.2(2) . .
O1 Dy1 O6 80.5(2) . .
O3 Dy1 O6 144.3(2) . .
O7 Dy1 O6 71.5(2) . .
O5 Dy1 O6 72.9(2) . .
O4 Dy1 O6 140.2(2) . .
O8 Dy1 O6 115.8(2) . .
O1 Dy1 O9 145.0(2) . .
O3 Dy1 O9 139.4(2) . .
O7 Dy1 O9 109.1(2) . .
O5 Dy1 O9 78.4(2) . .
O4 Dy1 O9 77.5(2) . .
O8 Dy1 O9 71.4(2) . .
O6 Dy1 O9 72.5(2) . .
C5 S1 C4 99.5(5) . .
C1 O1 Dy1 132.2(6) . .
C2 N1 H1A 110.3 . .
C2 N1 H1B 116.9 . .
H1A N1 H1B 99.5 . .
C2 N1 H1C 115.4 . .
H1A N1 H1C 90.0 . .
H1B N1 H1C 118.9 . .
C21 N7 C22 112.7(7) . .
C21 N7 C55 121.4(7) . .
C22 N7 C55 124.9(8) . .
C21 N8 C25 120.7(7) . .
C21 N8 C23 110.6(8) . .
C25 N8 C23 126.6(8) . .
C24 N9 C23 113.9(9) . .
C24 N9 C26 120.3(8) . .
C23 N9 C26 125.1(8) . .
C24 N10 C22 113.3(8) . .
C24 N10 C56 122.4(8) . .
C22 N10 C56 122.5(9) . .
C27 N11 C25 122.9(8) . .
C27 N11 C28 112.2(7) . .
C25 N11 C28 124.7(7) . .
C27 N12 C31 122.3(7) . .
C27 N12 C29 111.9(7) . .
C31 N12 C29 124.2(7) . .
C30 N13 C29 113.0(8) . .
C30 N13 C32 122.7(7) . .
C29 N13 C32 123.9(7) . .
C30 N14 C26 120.9(7) . .
C30 N14 C28 111.1(8) . .
C26 N14 C28 125.3(8) . .
C33 N15 C31 125.1(7) . .
C33 N15 C34 110.9(8) . .
C31 N15 C34 122.5(7) . .
C33 N16 C37 123.8(7) . .
C33 N16 C35 110.4(7) . .
C37 N16 C35 123.0(7) . .
C36 N17 C35 114.3(7) . .
C36 N17 C38 121.8(7) . .
C35 N17 C38 122.4(7) . .
C36 N18 C32 121.8(7) . .
C36 N18 C34 112.4(7) . .
C32 N18 C34 123.2(7) . .
C39 N19 C37 121.9(7) . .
C39 N19 C40 112.1(7) . .
C37 N19 C40 122.8(8) . .
C39 N20 C41 113.3(8) . .
C39 N20 C43 122.2(8) . .
C41 N20 C43 124.5(8) . .
C42 N21 C44 123.0(8) . .
C42 N21 C41 111.0(8) . .
C44 N21 C41 123.3(8) . .
C42 N22 C38 122.7(7) . .
C42 N22 C40 112.4(8) . .
C38 N22 C40 124.8(7) . .
C45 N23 C43 123.9(8) . .
C45 N23 C46 111.1(8) . .
C43 N23 C46 123.9(9) . .
C45 N24 C47 111.8(9) . .
C45 N24 C49 122.6(8) . .
C47 N24 C49 125.6(9) . .
C48 N25 C50 120.2(9) . .
C48 N25 C47 111.1(8) . .
C50 N25 C47 127.3(9) . .
C48 N26 C46 114.2(10) . .
C48 N26 C44 121.7(9) . .
C46 N26 C44 124.0(8) . .
C51 N27 C52 115.0(9) . .
C51 N27 C49 121.7(8) . .
C52 N27 C49 122.7(8) . .
C51 N28 C53 114.3(9) . .
C51 N28 C55 123.3(8) . .
C53 N28 C55 120.3(8) . .
C54 N29 C56 122.3(8) . .
C54 N29 C53 113.2(9) . .
C56 N29 C53 123.3(9) . .
C54 N30 C52 113.4(8) . .
C54 N30 C50 119.9(9) . .
C52 N30 C50 124.3(9) . .
O2 C1 O1 126.4(8) . .
O2 C1 C2 120.4(8) . .
O1 C1 C2 113.2(8) . .
N1 C2 C1 108.6(7) . .
N1 C2 C3 112.3(7) . .
C1 C2 C3 108.2(7) . .
N1 C2 H2 109.2 . .
C1 C2 H2 109.2 . .
C3 C2 H2 109.2 . .
C4 C3 C2 114.0(8) . .
C4 C3 H3A 108.8 . .
C2 C3 H3A 108.8 . .
C4 C3 H3B 108.8 . .
C2 C3 H3B 108.8 . .
H3A C3 H3B 107.6 . .
C3 C4 S1 109.1(7) . .
C3 C4 H4D 109.9 . .
S1 C4 H4D 109.9 . .
C3 C4 H4E 109.9 . .
S1 C4 H4E 109.9 . .
H4D C4 H4E 108.3 . .
S1 C5 H5A 109.5 . .
S1 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
S1 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
O49 C21 N8 126.5(9) . .
O49 C21 N7 125.2(8) . .
N8 C21 N7 108.3(7) . .
N10 C22 N7 114.3(8) . .
N10 C22 C23 103.5(8) . .
N7 C22 C23 103.3(7) . .
N10 C22 H22 111.7 . .
N7 C22 H22 111.7 . .
C23 C22 H22 111.7 . .
N9 C23 N8 115.4(8) . .
N9 C23 C22 103.3(8) . .
N8 C23 C22 104.7(8) . .
N9 C23 H23 111.0 . .
N8 C23 H23 111.0 . .
C22 C23 H23 111.0 . .
O50 C24 N9 128.4(9) . .
O50 C24 N10 125.7(9) . .
N9 C24 N10 105.8(8) . .
N11 C25 N8 115.1(7) . .
N11 C25 H25A 108.5 . .
N8 C25 H25A 108.5 . .
N11 C25 H25B 108.5 . .
N8 C25 H25B 108.5 . .
H25A C25 H25B 107.5 . .
N14 C26 N9 115.1(7) . .
N14 C26 H26A 108.5 . .
N9 C26 H26A 108.5 . .
N14 C26 H26B 108.5 . .
N9 C26 H26B 108.5 . .
H26A C26 H26B 107.5 . .
O51 C27 N11 127.2(9) . .
O51 C27 N12 124.0(8) . .
N11 C27 N12 108.7(7) . .
N14 C28 N11 116.5(7) . .
N14 C28 C29 103.8(7) . .
N11 C28 C29 104.3(7) . .
N14 C28 H28 110.6 . .
N11 C28 H28 110.6 . .
C29 C28 H28 110.6 . .
N13 C29 N12 115.1(7) . .
N13 C29 C28 102.6(7) . .
N12 C29 C28 102.6(7) . .
N13 C29 H29 111.9 . .
N12 C29 H29 111.9 . .
C28 C29 H29 111.9 . .
O52 C30 N13 125.7(8) . .
O52 C30 N14 125.0(8) . .
N13 C30 N14 109.3(7) . .
N12 C31 N15 114.9(7) . .
N12 C31 H31A 108.5 . .
N15 C31 H31A 108.5 . .
N12 C31 H31B 108.5 . .
N15 C31 H31B 108.5 . .
H31A C31 H31B 107.5 . .
N18 C32 N13 114.1(7) . .
N18 C32 H32A 108.7 . .
N13 C32 H32A 108.7 . .
N18 C32 H32B 108.7 . .
N13 C32 H32B 108.7 . .
H32A C32 H32B 107.6 . .
O53 C33 N15 125.1(9) . .
O53 C33 N16 125.5(8) . .
N15 C33 N16 109.5(7) . .
N18 C34 N15 115.1(8) . .
N18 C34 C35 103.6(7) . .
N15 C34 C35 103.6(7) . .
N18 C34 H34 111.3 . .
N15 C34 H34 111.3 . .
C35 C34 H34 111.3 . .
N17 C35 N16 115.0(8) . .
N17 C35 C34 102.8(6) . .
N16 C35 C34 103.9(7) . .
N17 C35 H35 111.5 . .
N16 C35 H35 111.5 . .
C34 C35 H35 111.5 . .
O54 C36 N17 127.9(8) . .
O54 C36 N18 125.4(8) . .
N17 C36 N18 106.6(7) . .
N19 C37 N16 113.0(7) . .
N19 C37 H37A 109.0 . .
N16 C37 H37A 109.0 . .
N19 C37 H37B 109.0 . .
N16 C37 H37B 109.0 . .
H37A C37 H37B 107.8 . .
N22 C38 N17 114.4(7) . .
N22 C38 H38A 108.6 . .
N17 C38 H38A 108.6 . .
N22 C38 H38B 108.6 . .
N17 C38 H38B 108.6 . .
H38A C38 H38B 107.6 . .
O55 C39 N20 127.3(9) . .
O55 C39 N19 125.2(8) . .
N20 C39 N19 107.4(8) . .
N19 C40 N22 115.8(7) . .
N19 C40 C41 103.6(7) . .
N22 C40 C41 102.7(7) . .
N19 C40 H40 111.4 . .
N22 C40 H40 111.4 . .
C41 C40 H40 111.4 . .
N20 C41 N21 115.2(9) . .
N20 C41 C40 103.2(7) . .
N21 C41 C40 103.7(7) . .
N20 C41 H41 111.4 . .
N21 C41 H41 111.4 . .
C40 C41 H41 111.4 . .
O56 C42 N22 125.2(10) . .
O56 C42 N21 125.0(10) . .
N22 C42 N21 109.7(8) . .
N23 C43 N20 114.8(8) . .
N23 C43 H43A 108.6 . .
N20 C43 H43A 108.6 . .
N23 C43 H43B 108.6 . .
N20 C43 H43B 108.6 . .
H43A C43 H43B 107.5 . .
N21 C44 N26 112.2(8) . .
N21 C44 H44A 109.2 . .
N26 C44 H44A 109.2 . .
N21 C44 H44B 109.2 . .
N26 C44 H44B 109.2 . .
H44A C44 H44B 107.9 . .
O57 C45 N24 124.7(10) . .
O57 C45 N23 126.5(9) . .
N24 C45 N23 108.7(8) . .
N23 C46 N26 114.1(8) . .
N23 C46 C47 103.1(8) . .
N26 C46 C47 103.2(8) . .
N23 C46 H46 111.9 . .
N26 C46 H46 111.9 . .
C47 C46 H46 111.9 . .
N24 C47 N25 115.4(8) . .
N24 C47 C46 105.2(8) . .
N25 C47 C46 103.2(8) . .
N24 C47 H47 110.9 . .
N25 C47 H47 110.9 . .
C46 C47 H47 110.9 . .
O58 C48 N26 129.4(13) . .
O58 C48 N25 122.5(11) . .
N26 C48 N25 108.1(9) . .
N27 C49 N24 117.9(9) . .
N27 C49 H49A 107.8 . .
N24 C49 H49A 107.8 . .
N27 C49 H49B 107.8 . .
N24 C49 H49B 107.8 . .
H49A C49 H49B 107.2 . .
N25 C50 N30 113.6(8) . .
N25 C50 H50A 108.8 . .
N30 C50 H50A 108.8 . .
N25 C50 H50B 108.8 . .
N30 C50 H50B 108.8 . .
H50A C50 H50B 107.7 . .
O59 C51 N28 126.2(10) . .
O59 C51 N27 127.3(10) . .
N28 C51 N27 106.4(9) . .
N30 C52 N27 116.0(10) . .
N30 C52 C53 103.9(8) . .
N27 C52 C53 101.9(7) . .
N30 C52 H52 111.5 . .
N27 C52 H52 111.5 . .
C53 C52 H52 111.5 . .
N28 C53 N29 114.7(9) . .
N28 C53 C52 102.0(8) . .
N29 C53 C52 101.3(9) . .
N28 C53 H53 112.6 . .
N29 C53 H53 112.6 . .
C52 C53 H53 112.6 . .
O60 C54 N29 127.7(9) . .
O60 C54 N30 124.6(9) . .
N29 C54 N30 107.6(8) . .
N7 C55 N28 113.3(8) . .
N7 C55 H55A 108.9 . .
N28 C55 H55A 108.9 . .
N7 C55 H55B 108.9 . .
N28 C55 H55B 108.9 . .
H55A C55 H55B 107.7 . .
N29 C56 N10 113.7(8) . .
N29 C56 H56A 108.8 . .
N10 C56 H56A 108.8 . .
N29 C56 H56B 108.8 . .
N10 C56 H56B 108.8 . .
H56A C56 H56B 107.7 . .
O10 Dy2 O18 137.0(2) . .
O10 Dy2 O14 70.5(2) . .
O18 Dy2 O14 76.3(2) . .
O10 Dy2 O13 117.5(2) . .
O18 Dy2 O13 77.9(2) . .
O14 Dy2 O13 75.3(2) . .
O10 Dy2 O16 79.3(2) . .
O18 Dy2 O16 116.9(2) . .
O14 Dy2 O16 143.8(2) . .
O13 Dy2 O16 138.5(2) . .
O10 Dy2 O15 77.6(2) . .
O18 Dy2 O15 70.6(2) . .
O14 Dy2 O15 80.6(2) . .
O13 Dy2 O15 144.0(2) . .
O16 Dy2 O15 73.7(2) . .
O10 Dy2 O12 75.8(2) . .
O18 Dy2 O12 144.8(2) . .
O14 Dy2 O12 114.7(2) . .
O13 Dy2 O12 73.4(2) . .
O16 Dy2 O12 75.1(2) . .
O15 Dy2 O12 142.0(2) . .
O10 Dy2 O17 147.4(2) . .
O18 Dy2 O17 72.7(2) . .
O14 Dy2 O17 141.1(2) . .
O13 Dy2 O17 75.8(2) . .
O16 Dy2 O17 73.0(2) . .
O15 Dy2 O17 109.8(2) . .
O12 Dy2 O17 80.7(2) . .
C9 S2 C10 99.6(6) . .
C6 O10 Dy2 135.5(6) . .
C7 N2 H2A 111.5 . .
C7 N2 H2B 111.3 . .
H2A N2 H2B 111.6 . .
C7 N2 H2C 98.9 . .
H2A N2 H2C 106.7 . .
H2B N2 H2C 116.2 . .
C57 N31 C91 125.4(8) . .
C57 N31 C58 110.7(8) . .
C91 N31 C58 122.9(7) . .
C57 N32 C61 123.6(8) . .
C57 N32 C59 111.6(8) . .
C61 N32 C59 122.0(8) . .
C59 N33 C60 112.2(8) . .
C59 N33 C62 126.1(8) . .
C60 N33 C62 120.1(8) . .
C60 N34 C92 122.3(8) . .
C60 N34 C58 110.0(8) . .
C92 N34 C58 127.1(9) . .
C63 N35 C64 112.8(8) . .
C63 N35 C61 120.9(8) . .
C64 N35 C61 124.6(9) . .
C65 N36 C63 115.1(9) . .
C65 N36 C67 121.4(8) . .
C63 N36 C67 121.2(8) . .
C68 N37 C66 122.6(9) . .
C68 N37 C65 122.8(10) . .
C66 N37 C65 114.5(9) . .
C66 N38 C62 121.4(8) . .
C66 N38 C64 112.8(9) . .
C62 N38 C64 124.3(9) . .
C69 N39 C70 112.8(9) . .
C69 N39 C67 122.8(8) . .
C70 N39 C67 124.0(8) . .
C69 N40 C71 112.4(8) . .
C69 N40 C73 124.6(8) . .
C71 N40 C73 122.9(7) . .
C72 N41 C71 114.4(8) . .
C72 N41 C74 121.1(8) . .
C71 N41 C74 121.1(9) . .
C72 N42 C70 112.6(9) . .
C72 N42 C68 121.0(9) . .
C70 N42 C68 126.4(8) . .
C75 N43 C73 121.7(7) . .
C75 N43 C76 112.3(8) . .
C73 N43 C76 124.7(7) . .
C75 N44 C77 112.5(8) . .
C75 N44 C79 121.3(7) . .
C77 N44 C79 126.2(7) . .
C78 N45 C77 113.3(7) . .
C78 N45 C80 119.6(7) . .
C77 N45 C80 124.6(8) . .
C78 N46 C74 123.6(8) . .
C78 N46 C76 113.0(8) . .
C74 N46 C76 122.8(8) . .
C81 N47 C82 109.2(7) . .
C81 N47 C79 121.6(7) . .
C82 N47 C79 121.7(7) . .
C81 N48 C85 123.3(7) . .
C81 N48 C83 112.9(7) . .
C85 N48 C83 122.4(7) . .
C84 N49 C83 112.5(8) . .
C84 N49 C86 125.5(8) . .
C83 N49 C86 120.4(8) . .
C84 N50 C80 124.8(8) . .
C84 N50 C82 112.5(8) . .
C80 N50 C82 122.0(8) . .
C87 N51 C85 122.4(7) . .
C87 N51 C88 111.1(7) . .
C85 N51 C88 123.4(8) . .
C87 N52 C89 112.2(7) . .
C87 N52 C91 123.8(7) . .
C89 N52 C91 122.9(8) . .
C90 N53 C92 122.7(8) . .
C90 N53 C89 110.4(8) . .
C92 N53 C89 124.3(8) . .
C90 N54 C86 126.0(8) . .
C90 N54 C88 112.1(8) . .
C86 N54 C88 121.9(8) . .
O10 C6 O11 126.5(7) . .
O10 C6 C7 114.9(8) . .
O11 C6 C7 118.6(7) . .
N2 C7 C8 112.4(7) . .
N2 C7 C6 108.1(6) . .
C8 C7 C6 108.1(6) . .
N2 C7 H7 109.4 . .
C8 C7 H7 109.4 . .
C6 C7 H7 109.4 . .
C9 C8 C7 113.0(7) . .
C9 C8 H8A 109.0 . .
C7 C8 H8A 109.0 . .
C9 C8 H8B 109.0 . .
C7 C8 H8B 109.0 . .
H8A C8 H8B 107.8 . .
C8 C9 S2 109.2(6) . .
C8 C9 H9A 109.8 . .
S2 C9 H9A 109.8 . .
C8 C9 H9B 109.8 . .
S2 C9 H9B 109.8 . .
H9A C9 H9B 108.3 . .
S2 C10 H10A 109.5 . .
S2 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
S2 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
O61 C57 N31 123.6(9) . .
O61 C57 N32 126.8(8) . .
N31 C57 N32 109.6(8) . .
N34 C58 N31 113.4(8) . .
N34 C58 C59 106.0(8) . .
N31 C58 C59 104.2(7) . .
N34 C58 H58 111.0 . .
N31 C58 H58 111.0 . .
C59 C58 H58 111.0 . .
N33 C59 N32 114.5(8) . .
N33 C59 C58 104.8(7) . .
N32 C59 C58 102.8(8) . .
N33 C59 H59 111.4 . .
N32 C59 H59 111.4 . .
C58 C59 H59 111.4 . .
O62 C60 N34 126.3(9) . .
O62 C60 N33 126.9(10) . .
N34 C60 N33 106.7(8) . .
N35 C61 N32 113.9(7) . .
N35 C61 H61A 108.8 . .
N32 C61 H61A 108.8 . .
N35 C61 H61B 108.8 . .
N32 C61 H61B 108.8 . .
H61A C61 H61B 107.7 . .
N33 C62 N38 112.5(8) . .
N33 C62 H62A 109.1 . .
N38 C62 H62A 109.1 . .
N33 C62 H62B 109.1 . .
N38 C62 H62B 109.1 . .
H62A C62 H62B 107.8 . .
O63 C63 N35 127.4(9) . .
O63 C63 N36 126.2(10) . .
N35 C63 N36 106.4(8) . .
N35 C64 N38 113.5(7) . .
N35 C64 C65 103.3(8) . .
N38 C64 C65 103.4(8) . .
N35 C64 H64 112.0 . .
N38 C64 H64 112.0 . .
C65 C64 H64 112.0 . .
N36 C65 N37 117.6(9) . .
N36 C65 C64 102.2(8) . .
N37 C65 C64 102.0(8) . .
N36 C65 H65 111.4 . .
N37 C65 H65 111.4 . .
C64 C65 H65 111.4 . .
O64 C66 N37 128.8(11) . .
O64 C66 N38 124.3(11) . .
N37 C66 N38 106.9(9) . .
N39 C67 N36 115.8(8) . .
N39 C67 H67A 108.3 . .
N36 C67 H67A 108.3 . .
N39 C67 H67B 108.3 . .
N36 C67 H67B 108.3 . .
H67A C67 H67B 107.4 . .
N37 C68 N42 115.7(8) . .
N37 C68 H68A 108.4 . .
N42 C68 H68A 108.4 . .
N37 C68 H68B 108.4 . .
N42 C68 H68B 108.4 . .
H68A C68 H68B 107.4 . .
O65 C69 N39 128.4(9) . .
O65 C69 N40 122.6(10) . .
N39 C69 N40 108.8(8) . .
N39 C70 N42 117.4(9) . .
N39 C70 C71 104.3(8) . .
N42 C70 C71 104.0(8) . .
N39 C70 H70 110.2 . .
N42 C70 H70 110.2 . .
C71 C70 H70 110.2 . .
N41 C71 N40 114.3(8) . .
N41 C71 C70 100.9(8) . .
N40 C71 C70 101.4(8) . .
N41 C71 H71 113.0 . .
N40 C71 H71 113.0 . .
C70 C71 H71 113.0 . .
O66 C72 N42 126.6(12) . .
O66 C72 N41 126.8(10) . .
N42 C72 N41 106.5(9) . .
N43 C73 N40 113.1(7) . .
N43 C73 H73A 109.0 . .
N40 C73 H73A 109.0 . .
N43 C73 H73B 109.0 . .
N40 C73 H73B 109.0 . .
H73A C73 H73B 107.8 . .
N46 C74 N41 112.7(7) . .
N46 C74 H74A 109.1 . .
N41 C74 H74A 109.1 . .
N46 C74 H74B 109.1 . .
N41 C74 H74B 109.1 . .
H74A C74 H74B 107.8 . .
O67 C75 N43 126.0(9) . .
O67 C75 N44 127.6(9) . .
N43 C75 N44 106.3(8) . .
N43 C76 N46 113.7(9) . .
N43 C76 C77 103.8(7) . .
N46 C76 C77 103.1(7) . .
N43 C76 H76 111.9 . .
N46 C76 H76 111.9 . .
C77 C76 H76 111.9 . .
N44 C77 N45 116.1(7) . .
N44 C77 C76 105.0(7) . .
N45 C77 C76 103.8(8) . .
N44 C77 H77 110.5 . .
N45 C77 H77 110.5 . .
C76 C77 H77 110.5 . .
O68 C78 N46 125.7(9) . .
O68 C78 N45 127.6(9) . .
N46 C78 N45 106.7(8) . .
N44 C79 N47 113.2(7) . .
N44 C79 H79A 108.9 . .
N47 C79 H79A 108.9 . .
N44 C79 H79B 108.9 . .
N47 C79 H79B 108.9 . .
H79A C79 H79B 107.8 . .
N45 C80 N50 113.7(7) . .
N45 C80 H80A 108.8 . .
N50 C80 H80A 108.8 . .
N45 C80 H80B 108.8 . .
N50 C80 H80B 108.8 . .
H80A C80 H80B 107.7 . .
O69 C81 N48 126.1(9) . .
O69 C81 N47 124.5(8) . .
N48 C81 N47 109.4(7) . .
N47 C82 N50 114.2(7) . .
N47 C82 C83 106.6(8) . .
N50 C82 C83 101.0(8) . .
N47 C82 H82 111.5 . .
N50 C82 H82 111.5 . .
C83 C82 H82 111.5 . .
N49 C83 N48 115.9(8) . .
N49 C83 C82 105.3(8) . .
N48 C83 C82 100.5(7) . .
N49 C83 H83 111.5 . .
N48 C83 H83 111.5 . .
C82 C83 H83 111.5 . .
O70 C84 N50 125.0(9) . .
O70 C84 N49 126.7(9) . .
N50 C84 N49 108.2(8) . .
N51 C85 N48 114.2(7) . .
N51 C85 H85A 108.7 . .
N48 C85 H85A 108.7 . .
N51 C85 H85B 108.7 . .
N48 C85 H85B 108.7 . .
H85A C85 H85B 107.6 . .
N54 C86 N49 112.7(7) . .
N54 C86 H86A 109.0 . .
N49 C86 H86A 109.0 . .
N54 C86 H86B 109.0 . .
N49 C86 H86B 109.0 . .
H86A C86 H86B 107.8 . .
O71 C87 N52 124.8(8) . .
O71 C87 N51 126.8(8) . .
N52 C87 N51 108.4(7) . .
N51 C88 N54 112.9(7) . .
N51 C88 C89 103.5(7) . .
N54 C88 C89 102.0(7) . .
N51 C88 H88 112.6 . .
N54 C88 H88 112.6 . .
C89 C88 H88 112.6 . .
N52 C89 N53 115.6(8) . .
N52 C89 C88 102.8(7) . .
N53 C89 C88 103.6(7) . .
N52 C89 H89 111.4 . .
N53 C89 H89 111.4 . .
C88 C89 H89 111.4 . .
O72 C90 N54 124.2(9) . .
O72 C90 N53 125.0(9) . .
N54 C90 N53 110.7(8) . .
N31 C91 N52 115.3(7) . .
N31 C91 H91A 108.4 . .
N52 C91 H91A 108.4 . .
N31 C91 H91B 108.4 . .
N52 C91 H91B 108.4 . .
H91A C91 H91B 107.5 . .
N53 C92 N34 113.0(7) . .
N53 C92 H92A 109.0 . .
N34 C92 H92A 109.0 . .
N53 C92 H92B 109.0 . .
N34 C92 H92B 109.0 . .
H92A C92 H92B 107.8 . .
O19 Dy3 O23 76.8(2) . .
O19 Dy3 O22 117.3(2) . .
O23 Dy3 O22 73.0(2) . .
O19 Dy3 O21 70.7(2) . .
O23 Dy3 O21 116.7(2) . .
O22 Dy3 O21 76.2(2) . .
O19 Dy3 O27 146.1(2) . .
O23 Dy3 O27 79.2(2) . .
O22 Dy3 O27 77.1(2) . .
O21 Dy3 O27 142.5(2) . .
O19 Dy3 O25 79.1(2) . .
O23 Dy3 O25 141.2(2) . .
O22 Dy3 O25 145.7(2) . .
O21 Dy3 O25 82.4(2) . .
O27 Dy3 O25 106.6(2) . .
O19 Dy3 O26 139.3(2) . .
O23 Dy3 O26 141.8(2) . .
O22 Dy3 O26 77.0(2) . .
O21 Dy3 O26 77.3(2) . .
O27 Dy3 O26 71.5(2) . .
O25 Dy3 O26 72.4(2) . .
O19 Dy3 O24 78.9(2) . .
O23 Dy3 O24 73.3(2) . .
O22 Dy3 O24 137.3(2) . .
O21 Dy3 O24 143.7(2) . .
O27 Dy3 O24 71.5(2) . .
O25 Dy3 O24 72.6(2) . .
O26 Dy3 O24 117.7(2) . .
C15 S3 C14 102.5(7) . .
C11 O19 Dy3 135.3(6) . .
C93 N55 C94 114.7(8) . .
C93 N55 C127 120.5(8) . .
C94 N55 C127 121.0(7) . .
C93 N56 C97 123.4(7) . .
C93 N56 C95 112.7(7) . .
C97 N56 C95 123.0(8) . .
C96 N57 C95 112.5(8) . .
C96 N57 C98 122.0(8) . .
C95 N57 C98 123.7(8) . .
C96 N58 C94 113.9(8) . .
C96 N58 C128 123.0(9) . .
C94 N58 C128 123.1(8) . .
C99 N59 C97 123.9(7) . .
C99 N59 C100 111.2(7) . .
C97 N59 C100 121.9(7) . .
C99 N60 C101 112.0(8) . .
C99 N60 C103 123.4(8) . .
C101 N60 C103 123.7(7) . .
C102 N61 C104 123.5(8) . .
C102 N61 C101 112.1(7) . .
C104 N61 C101 124.0(7) . .
C102 N62 C100 114.4(7) . .
C102 N62 C98 122.8(8) . .
C100 N62 C98 122.1(8) . .
C105 N63 C106 111.9(7) . .
C105 N63 C103 122.7(7) . .
C106 N63 C103 124.9(7) . .
C105 N64 C109 123.4(7) . .
C105 N64 C107 110.0(7) . .
C109 N64 C107 123.8(7) . .
C108 N65 C110 124.0(8) . .
C108 N65 C107 111.5(8) . .
C110 N65 C107 124.4(8) . .
C108 N66 C104 121.5(7) . .
C108 N66 C106 112.8(8) . .
C104 N66 C106 123.4(8) . .
C111 N67 C109 120.8(8) . .
C111 N67 C112 112.1(8) . .
C109 N67 C112 122.5(7) . .
C111 N68 C113 114.1(8) . .
C111 N68 C115 120.4(7) . .
C113 N68 C115 123.4(8) . .
C114 N69 C116 124.1(8) . .
C114 N69 C113 113.4(8) . .
C116 N69 C113 121.6(9) . .
C114 N70 C112 112.2(8) . .
C114 N70 C110 124.9(8) . .
C112 N70 C110 122.6(8) . .
C117 N71 C115 122.3(8) . .
C117 N71 C118 110.0(9) . .
C115 N71 C118 126.1(8) . .
C117 N72 C121 123.9(7) . .
C117 N72 C119 111.2(8) . .
C121 N72 C119 124.3(8) . .
C120 N73 C122 123.6(9) . .
C120 N73 C119 112.4(9) . .
C122 N73 C119 123.4(9) . .
C120 N74 C116 123.5(8) . .
C120 N74 C118 113.4(9) . .
C116 N74 C118 122.0(9) . .
C123 N75 C121 123.0(8) . .
C123 N75 C124 112.8(8) . .
C121 N75 C124 123.9(8) . .
C123 N76 C127 120.6(7) . .
C123 N76 C125 113.0(8) . .
C127 N76 C125 125.6(8) . .
C128 N77 C126 121.4(9) . .
C128 N77 C125 127.5(8) . .
C126 N77 C125 110.9(9) . .
C126 N78 C124 115.1(9) . .
C126 N78 C122 119.4(8) . .
C124 N78 C122 122.6(9) . .
O20 C11 O19 123.9(8) . .
O20 C11 C12 119.0(7) . .
O19 C11 C12 117.1(8) . .
N3 C12 C11 108.3(7) . .
N3 C12 C13 111.3(7) . .
C11 C12 C13 107.8(7) . .
N3 C12 H12 109.8 . .
C11 C12 H12 109.8 . .
C13 C12 H12 109.8 . .
C14 C13 C12 114.3(7) . .
C14 C13 H13A 108.7 . .
C12 C13 H13A 108.7 . .
C14 C13 H13B 108.7 . .
C12 C13 H13B 108.7 . .
H13A C13 H13B 107.6 . .
C13 C14 S3 110.3(7) . .
C13 C14 H14A 109.6 . .
S3 C14 H14A 109.6 . .
C13 C14 H14B 109.6 . .
S3 C14 H14B 109.6 . .
H14A C14 H14B 108.1 . .
S3 C15 H15A 109.5 . .
S3 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
S3 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
O73 C93 N55 129.3(10) . .
O73 C93 N56 123.6(9) . .
N55 C93 N56 107.0(8) . .
N58 C94 N55 115.7(8) . .
N58 C94 C95 102.9(7) . .
N55 C94 C95 102.5(7) . .
N58 C94 H94 111.7 . .
N55 C94 H94 111.7 . .
C95 C94 H94 111.7 . .
N57 C95 N56 114.5(7) . .
N57 C95 C94 102.5(8) . .
N56 C95 C94 102.6(7) . .
N57 C95 H95 112.1 . .
N56 C95 H95 112.1 . .
C94 C95 H95 112.1 . .
O74 C96 N58 127.4(11) . .
O74 C96 N57 124.9(10) . .
N58 C96 N57 107.7(8) . .
N59 C97 N56 112.4(7) . .
N59 C97 H97A 109.1 . .
N56 C97 H97A 109.1 . .
N59 C97 H97B 109.1 . .
N56 C97 H97B 109.1 . .
H97A C97 H97B 107.8 . .
N57 C98 N62 113.8(7) . .
N57 C98 H98A 108.8 . .
N62 C98 H98A 108.8 . .
N57 C98 H98B 108.8 . .
N62 C98 H98B 108.8 . .
H98A C98 H98B 107.7 . .
O75 C99 N60 126.0(9) . .
O75 C99 N59 124.4(8) . .
N60 C99 N59 109.5(8) . .
N62 C100 N59 114.8(7) . .
N62 C100 C101 103.0(7) . .
N59 C100 C101 101.4(7) . .
N62 C100 H100 112.2 . .
N59 C100 H100 112.2 . .
C101 C100 H100 112.2 . .
N60 C101 N61 114.6(7) . .
N60 C101 C100 104.9(7) . .
N61 C101 C100 103.0(7) . .
N60 C101 H101 111.3 . .
N61 C101 H101 111.3 . .
C100 C101 H101 111.3 . .
O76 C102 N62 126.2(8) . .
O76 C102 N61 126.3(9) . .
N62 C102 N61 107.4(8) . .
N60 C103 N63 113.8(7) . .
N60 C103 H10D 108.8 . .
N63 C103 H10D 108.8 . .
N60 C103 H10E 108.8 . .
N63 C103 H10E 108.8 . .
H10D C103 H10E 107.7 . .
N61 C104 N66 114.5(7) . .
N61 C104 H10F 108.6 . .
N66 C104 H10F 108.6 . .
N61 C104 H10G 108.6 . .
N66 C104 H10G 108.6 . .
H10F C104 H10G 107.6 . .
O77 C105 N63 126.3(8) . .
O77 C105 N64 124.6(7) . .
N63 C105 N64 109.0(7) . .
N63 C106 N66 113.9(7) . .
N63 C106 C107 104.1(7) . .
N66 C106 C107 102.7(7) . .
N63 C106 H106 111.8 . .
N66 C106 H106 111.8 . .
C107 C106 H106 111.8 . .
N65 C107 N64 112.0(7) . .
N65 C107 C106 103.6(7) . .
N64 C107 C106 103.3(7) . .
N65 C107 H107 112.4 . .
N64 C107 H107 112.4 . .
C106 C107 H107 112.4 . .
O78 C108 N66 127.3(9) . .
O78 C108 N65 124.4(9) . .
N66 C108 N65 108.2(8) . .
N64 C109 N67 113.4(8) . .
N64 C109 H10H 108.9 . .
N67 C109 H10H 108.9 . .
N64 C109 H10I 108.9 . .
N67 C109 H10I 108.9 . .
H10H C109 H10I 107.7 . .
N65 C110 N70 115.8(7) . .
N65 C110 H11A 108.3 . .
N70 C110 H11A 108.3 . .
N65 C110 H11B 108.3 . .
N70 C110 H11B 108.3 . .
H11A C110 H11B 107.4 . .
O79 C111 N68 127.1(9) . .
O79 C111 N67 126.5(9) . .
N68 C111 N67 106.4(7) . .
N70 C112 N67 115.0(8) . .
N70 C112 C113 104.7(7) . .
N67 C112 C113 103.0(7) . .
N70 C112 H112 111.2 . .
N67 C112 H112 111.2 . .
C113 C112 H112 111.2 . .
N68 C113 N69 114.5(8) . .
N68 C113 C112 103.1(7) . .
N69 C113 C112 101.2(8) . .
N68 C113 H113 112.4 . .
N69 C113 H113 112.4 . .
C112 C113 H113 112.4 . .
O80 C114 N69 127.5(10) . .
O80 C114 N70 124.2(10) . .
N69 C114 N70 108.0(8) . .
N71 C115 N68 111.9(7) . .
N71 C115 H11C 109.2 . .
N68 C115 H11C 109.2 . .
N71 C115 H11D 109.2 . .
N68 C115 H11D 109.2 . .
H11C C115 H11D 107.9 . .
N69 C116 N74 115.2(9) . .
N69 C116 H11E 108.5 . .
N74 C116 H11E 108.5 . .
N69 C116 H11F 108.5 . .
N74 C116 H11F 108.5 . .
H11E C116 H11F 107.5 . .
O81 C117 N71 127.4(9) . .
O81 C117 N72 123.3(9) . .
N71 C117 N72 109.3(8) . .
N74 C118 N71 112.3(9) . .
N74 C118 C119 102.3(9) . .
N71 C118 C119 104.5(8) . .
N74 C118 H118 112.3 . .
N71 C118 H118 112.3 . .
C119 C118 H118 112.3 . .
N72 C119 N73 114.6(9) . .
N72 C119 C118 104.4(8) . .
N73 C119 C118 104.2(8) . .
N72 C119 H119 111.1 . .
N73 C119 H119 111.1 . .
C118 C119 H119 111.1 . .
O82 C120 N73 126.8(10) . .
O82 C120 N74 125.4(9) . .
N73 C120 N74 107.8(9) . .
N75 C121 N72 116.8(7) . .
N75 C121 H12A 108.1 . .
N72 C121 H12A 108.1 . .
N75 C121 H12B 108.1 . .
N72 C121 H12B 108.1 . .
H12A C121 H12B 107.3 . .
N73 C122 N78 114.1(8) . .
N73 C122 H12C 108.7 . .
N78 C122 H12C 108.7 . .
N73 C122 H12D 108.7 . .
N78 C122 H12D 108.7 . .
H12C C122 H12D 107.6 . .
O83 C123 N75 125.4(9) . .
O83 C123 N76 127.8(9) . .
N75 C123 N76 106.8(8) . .
N78 C124 N75 116.0(8) . .
N78 C124 C125 102.7(8) . .
N75 C124 C125 102.3(7) . .
N78 C124 H124 111.7 . .
N75 C124 H124 111.7 . .
C125 C124 H124 111.7 . .
N76 C125 N77 115.2(8) . .
N76 C125 C124 103.9(8) . .
N77 C125 C124 103.5(7) . .
N76 C125 H125 111.2 . .
N77 C125 H125 111.2 . .
C124 C125 H125 111.2 . .
O84 C126 N78 129.2(11) . .
O84 C126 N77 124.1(11) . .
N78 C126 N77 106.5(9) . .
N76 C127 N55 114.3(7) . .
N76 C127 H12E 108.7 . .
N55 C127 H12E 108.7 . .
N76 C127 H12F 108.7 . .
N55 C127 H12F 108.7 . .
H12E C127 H12F 107.6 . .
N77 C128 N58 114.3(9) . .
N77 C128 H12G 108.7 . .
N58 C128 H12G 108.7 . .
N77 C128 H12H 108.7 . .
N58 C128 H12H 108.7 . .
H12G C128 H12H 107.6 . .
O28 Dy4 O31 111.0(2) . .
O28 Dy4 O30 72.9(2) . .
O31 Dy4 O30 73.6(2) . .
O28 Dy4 O32 74.9(2) . .
O31 Dy4 O32 75.4(2) . .
O30 Dy4 O32 122.5(2) . .
O28 Dy4 O36 145.2(2) . .
O31 Dy4 O36 80.1(2) . .
O30 Dy4 O36 140.8(2) . .
O32 Dy4 O36 76.5(2) . .
O28 Dy4 O35 142.1(2) . .
O31 Dy4 O35 78.0(2) . .
O30 Dy4 O35 75.0(2) . .
O32 Dy4 O35 141.1(2) . .
O36 Dy4 O35 71.3(2) . .
O28 Dy4 O33 82.3(2) . .
O31 Dy4 O33 141.6(2) . .
O30 Dy4 O33 143.6(2) . .
O32 Dy4 O33 73.9(2) . .
O36 Dy4 O33 70.9(2) . .
O35 Dy4 O33 114.0(2) . .
O28 Dy4 O34 81.2(2) . .
O31 Dy4 O34 143.9(2) . .
O30 Dy4 O34 78.4(2) . .
O32 Dy4 O34 140.1(2) . .
O36 Dy4 O34 109.7(3) . .
O35 Dy4 O34 73.1(2) . .
O33 Dy4 O34 71.7(2) . .
C20 S4 C19 97.2(5) . .
C16 O28 Dy4 134.2(6) . .
C17 N4 H4A 123.1 . .
C17 N4 H4B 104.5 . .
H4A N4 H4B 101.6 . .
C17 N4 H4C 108.9 . .
H4A N4 H4C 109.0 . .
H4B N4 H4C 108.8 . .
C129 N79 C163 121.5(7) . .
C129 N79 C130 113.2(7) . .
C163 N79 C130 125.0(7) . .
C129 N80 C131 112.0(7) . .
C129 N80 C133 121.8(7) . .
C131 N80 C133 124.3(7) . .
C132 N81 C134 123.7(7) . .
C132 N81 C131 112.0(7) . .
C134 N81 C131 124.1(7) . .
C132 N82 C130 114.2(7) . .
C132 N82 C164 122.2(7) . .
C130 N82 C164 121.2(7) . .
C135 N83 C133 123.4(7) . .
C135 N83 C136 111.8(7) . .
C133 N83 C136 124.7(7) . .
C135 N84 C139 121.7(7) . .
C135 N84 C137 111.5(7) . .
C139 N84 C137 123.8(7) . .
C138 N85 C140 123.6(7) . .
C138 N85 C137 110.6(7) . .
C140 N85 C137 125.7(7) . .
C138 N86 C134 121.1(7) . .
C138 N86 C136 112.0(8) . .
C134 N86 C136 123.6(7) . .
C141 N87 C142 112.3(8) . .
C141 N87 C139 122.4(7) . .
C142 N87 C139 124.5(8) . .
C141 N88 C143 113.0(8) . .
C141 N88 C145 121.1(7) . .
C143 N88 C145 121.1(8) . .
C144 N89 C143 115.2(7) . .
C144 N89 C146 120.4(7) . .
C143 N89 C146 124.2(7) . .
C144 N90 C140 122.6(7) . .
C144 N90 C142 110.1(7) . .
C140 N90 C142 122.0(7) . .
C147 N91 C148 114.5(8) . .
C147 N91 C145 120.6(8) . .
C148 N91 C145 122.7(8) . .
C147 N92 C151 122.5(8) . .
C147 N92 C149 110.7(8) . .
C151 N92 C149 126.7(8) . .
C150 N93 C152 123.4(8) . .
C150 N93 C149 110.0(8) . .
C152 N93 C149 126.2(8) . .
C150 N94 C146 120.0(8) . .
C150 N94 C148 113.7(8) . .
C146 N94 C148 126.2(8) . .
C153 N95 C154 113.8(7) . .
C153 N95 C151 121.5(8) . .
C154 N95 C151 124.4(8) . .
C153 N96 C155 113.8(7) . .
C153 N96 C157 120.5(7) . .
C155 N96 C157 125.6(7) . .
C156 N97 C158 121.0(8) . .
C156 N97 C155 113.6(8) . .
C158 N97 C155 123.2(8) . .
C156 N98 C154 113.5(8) . .
C156 N98 C152 123.2(8) . .
C154 N98 C152 123.1(7) . .
C159 N99 C160 113.8(7) . .
C159 N99 C157 122.8(7) . .
C160 N99 C157 123.0(7) . .
C159 N100 C161 110.7(7) . .
C159 N100 C163 122.0(7) . .
C161 N100 C163 122.8(7) . .
C162 N101 C161 111.6(7) . .
C162 N101 C164 123.5(7) . .
C161 N101 C164 124.9(7) . .
C162 N102 C158 121.2(7) . .
C162 N102 C160 112.1(7) . .
C158 N102 C160 122.7(7) . .
O29 C16 O28 126.7(8) . .
O29 C16 C17 119.2(8) . .
O28 C16 C17 114.0(8) . .
C18 C17 N4 111.5(7) . .
C18 C17 C16 110.2(7) . .
N4 C17 C16 106.7(7) . .
C18 C17 H17 109.5 . .
N4 C17 H17 109.5 . .
C16 C17 H17 109.5 . .
C17 C18 C19 113.9(7) . .
C17 C18 H18A 108.8 . .
C19 C18 H18A 108.8 . .
C17 C18 H18B 108.8 . .
C19 C18 H18B 108.8 . .
H18A C18 H18B 107.7 . .
C18 C19 S4 108.5(6) . .
C18 C19 H19A 110.0 . .
S4 C19 H19A 110.0 . .
C18 C19 H19B 110.0 . .
S4 C19 H19B 110.0 . .
H19A C19 H19B 108.4 . .
S4 C20 H20A 109.5 . .
S4 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
S4 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
O85 C129 N79 126.5(9) . .
O85 C129 N80 125.2(9) . .
N79 C129 N80 108.1(7) . .
N82 C130 N79 115.2(7) . .
N82 C130 C131 103.9(7) . .
N79 C130 C131 102.5(7) . .
N82 C130 H130 111.6 . .
N79 C130 H130 111.6 . .
C131 C130 H130 111.6 . .
N80 C131 N81 114.4(7) . .
N80 C131 C130 103.8(6) . .
N81 C131 C130 102.3(7) . .
N80 C131 H131 111.9 . .
N81 C131 H131 111.9 . .
C130 C131 H131 111.9 . .
O86 C132 N82 127.3(8) . .
O86 C132 N81 125.0(8) . .
N82 C132 N81 107.5(7) . .
N83 C133 N80 114.6(7) . .
N83 C133 H13C 108.6 . .
N80 C133 H13C 108.6 . .
N83 C133 H13D 108.6 . .
N80 C133 H13D 108.6 . .
H13C C133 H13D 107.6 . .
N81 C134 N86 113.8(7) . .
N81 C134 H13E 108.8 . .
N86 C134 H13E 108.8 . .
N81 C134 H13F 108.8 . .
N86 C134 H13F 108.8 . .
H13E C134 H13F 107.7 . .
O87 C135 N83 126.1(8) . .
O87 C135 N84 125.8(8) . .
N83 C135 N84 108.2(7) . .
N83 C136 N86 115.0(8) . .
N83 C136 C137 105.4(7) . .
N86 C136 C137 103.5(7) . .
N83 C136 H136 110.8 . .
N86 C136 H136 110.8 . .
C137 C136 H136 110.8 . .
N85 C137 N84 114.4(7) . .
N85 C137 C136 103.5(7) . .
N84 C137 C136 102.6(7) . .
N85 C137 H137 111.9 . .
N84 C137 H137 111.9 . .
C136 C137 H137 111.9 . .
O88 C138 N86 127.5(9) . .
O88 C138 N85 122.5(8) . .
N86 C138 N85 109.9(7) . .
N84 C139 N87 114.0(7) . .
N84 C139 H13G 108.8 . .
N87 C139 H13G 108.8 . .
N84 C139 H13H 108.8 . .
N87 C139 H13H 108.8 . .
H13G C139 H13H 107.7 . .
N85 C140 N90 113.4(7) . .
N85 C140 H14C 108.9 . .
N90 C140 H14C 108.9 . .
N85 C140 H14D 108.9 . .
N90 C140 H14D 108.9 . .
H14C C140 H14D 107.7 . .
O89 C141 N88 127.8(8) . .
O89 C141 N87 126.1(9) . .
N88 C141 N87 106.1(7) . .
N87 C142 N90 112.8(8) . .
N87 C142 C143 103.1(7) . .
N90 C142 C143 104.0(7) . .
N87 C142 H142 112.1 . .
N90 C142 H142 112.1 . .
C143 C142 H142 112.1 . .
N89 C143 N88 116.9(8) . .
N89 C143 C142 103.0(7) . .
N88 C143 C142 103.5(7) . .
N89 C143 H143 111.0 . .
N88 C143 H143 111.0 . .
C142 C143 H143 111.0 . .
O90 C144 N89 129.8(8) . .
O90 C144 N90 123.5(8) . .
N89 C144 N90 106.7(7) . .
N91 C145 N88 113.7(8) . .
N91 C145 H14E 108.8 . .
N88 C145 H14E 108.8 . .
N91 C145 H14F 108.8 . .
N88 C145 H14F 108.8 . .
H14E C145 H14F 107.7 . .
N94 C146 N89 115.2(7) . .
N94 C146 H14G 108.5 . .
N89 C146 H14G 108.5 . .
N94 C146 H14H 108.5 . .
N89 C146 H14H 108.5 . .
H14G C146 H14H 107.5 . .
O91 C147 N91 128.9(9) . .
O91 C147 N92 123.7(9) . .
N91 C147 N92 107.2(8) . .
N91 C148 N94 117.4(8) . .
N91 C148 C149 103.2(7) . .
N94 C148 C149 102.2(7) . .
N91 C148 H148 111.1 . .
N94 C148 H148 111.1 . .
C149 C148 H148 111.1 . .
N92 C149 N93 115.3(8) . .
N92 C149 C148 104.1(7) . .
N93 C149 C148 105.5(7) . .
N92 C149 H149 110.5 . .
N93 C149 H149 110.5 . .
C148 C149 H149 110.5 . .
O92 C150 N94 124.9(10) . .
O92 C150 N93 126.3(10) . .
N94 C150 N93 108.3(7) . .
N92 C151 N95 113.8(7) . .
N92 C151 H15D 108.8 . .
N95 C151 H15D 108.8 . .
N92 C151 H15E 108.8 . .
N95 C151 H15E 108.8 . .
H15D C151 H15E 107.7 . .
N93 C152 N98 112.8(7) . .
N93 C152 H15F 109.0 . .
N98 C152 H15F 109.0 . .
N93 C152 H15G 109.0 . .
N98 C152 H15G 109.0 . .
H15F C152 H15G 107.8 . .
O93 C153 N95 127.3(8) . .
O93 C153 N96 126.0(8) . .
N95 C153 N96 106.6(7) . .
N95 C154 N98 116.1(8) . .
N95 C154 C155 103.4(7) . .
N98 C154 C155 103.3(7) . .
N95 C154 H154 111.2 . .
N98 C154 H154 111.2 . .
C155 C154 H154 111.2 . .
N96 C155 N97 116.1(7) . .
N96 C155 C154 102.3(7) . .
N97 C155 C154 100.9(7) . .
N96 C155 H155 112.2 . .
N97 C155 H155 112.2 . .
C154 C155 H155 112.2 . .
O94 C156 N97 127.1(9) . .
O94 C156 N98 124.8(10) . .
N97 C156 N98 108.1(8) . .
N96 C157 N99 116.6(7) . .
N96 C157 H15H 108.1 . .
N99 C157 H15H 108.1 . .
N96 C157 H15I 108.1 . .
N99 C157 H15I 108.1 . .
H15H C157 H15I 107.3 . .
N102 C158 N97 114.3(7) . .
N102 C158 H15J 108.7 . .
N97 C158 H15J 108.7 . .
N102 C158 H15K 108.7 . .
N97 C158 H15K 108.7 . .
H15J C158 H15K 107.6 . .
O95 C159 N99 125.5(8) . .
O95 C159 N100 125.8(8) . .
N99 C159 N100 108.6(8) . .
N99 C160 N102 116.6(7) . .
N99 C160 C161 102.8(7) . .
N102 C160 C161 103.0(7) . .
N99 C160 H160 111.2 . .
N102 C160 H160 111.2 . .
C161 C160 H160 111.2 . .
N101 C161 N100 115.7(7) . .
N101 C161 C160 104.2(7) . .
N100 C161 C160 103.0(7) . .
N101 C161 H161 111.1 . .
N100 C161 H161 111.1 . .
C160 C161 H161 111.1 . .
O96 C162 N102 125.3(8) . .
O96 C162 N101 126.6(8) . .
N102 C162 N101 108.1(7) . .
N79 C163 N100 114.1(7) . .
N79 C163 H16A 108.7 . .
N100 C163 H16A 108.7 . .
N79 C163 H16B 108.7 . .
N100 C163 H16B 108.7 . .
H16A C163 H16B 107.6 . .
N101 C164 N82 114.4(7) . .
N101 C164 H16C 108.7 . .
N82 C164 H16C 108.7 . .
N101 C164 H16D 108.7 . .
N82 C164 H16D 108.7 . .
H16C C164 H16D 107.6 . .
O41 Dy5 O41 149.5(4) . 2_656
O41 Dy5 O42 134.6(3) . .
O41 Dy5 O42 72.6(3) 2_656 .
O41 Dy5 O42 72.6(3) . 2_656
O41 Dy5 O42 134.6(3) 2_656 2_656
O42 Dy5 O42 80.0(6) . 2_656
O41 Dy5 O40 74.8(2) . .
O41 Dy5 O40 74.8(2) 2_656 .
O42 Dy5 O40 140.0(3) . .
O42 Dy5 O40 140.0(3) 2_656 .
O41 Dy5 O37 68.4(3) . 2_656
O41 Dy5 O37 122.1(3) 2_656 2_656
O42 Dy5 O37 71.9(4) . 2_656
O42 Dy5 O37 80.4(4) 2_656 2_656
O40 Dy5 O37 108.1(3) . 2_656
O41 Dy5 O37 122.1(3) . .
O41 Dy5 O37 68.4(3) 2_656 .
O42 Dy5 O37 80.4(4) . .
O42 Dy5 O37 71.9(4) 2_656 .
O40 Dy5 O37 108.1(3) . .
O37 Dy5 O37 143.7(6) 2_656 .
O41 Dy5 O38 80.9(3) . .
O41 Dy5 O38 87.2(4) 2_656 .
O42 Dy5 O38 132.7(4) . .
O42 Dy5 O38 85.7(5) 2_656 .
O40 Dy5 O38 66.9(3) . .
O37 Dy5 O38 148.9(4) 2_656 .
O37 Dy5 O38 52.3(3) . .
O41 Dy5 O38 87.2(4) . 2_656
O41 Dy5 O38 80.9(3) 2_656 2_656
O42 Dy5 O38 85.7(5) . 2_656
O42 Dy5 O38 132.7(4) 2_656 2_656
O40 Dy5 O38 66.9(3) . 2_656
O37 Dy5 O38 52.3(3) 2_656 2_656
O37 Dy5 O38 148.9(4) . 2_656
O38 Dy5 O38 133.7(6) . 2_656
O41 Dy5 N5 103.5(3) . .
O41 Dy5 N5 73.2(3) 2_656 .
O42 Dy5 N5 107.7(4) . .
O42 Dy5 N5 82.0(4) 2_656 .
O40 Dy5 N5 83.8(3) . .
O37 Dy5 N5 162.1(4) 2_656 .
O37 Dy5 N5 27.8(4) . .
O38 Dy5 N5 25.2(3) . .
O38 Dy5 N5 145.1(3) 2_656 .
O41 Dy5 N5 73.2(3) . 2_656
O41 Dy5 N5 103.5(3) 2_656 2_656
O42 Dy5 N5 82.0(4) . 2_656
O42 Dy5 N5 107.7(4) 2_656 2_656
O40 Dy5 N5 83.8(3) . 2_656
O37 Dy5 N5 27.8(4) 2_656 2_656
O37 Dy5 N5 162.1(4) . 2_656
O38 Dy5 N5 145.1(3) . 2_656
O38 Dy5 N5 25.2(3) 2_656 2_656
N5 Dy5 N5 167.6(5) . 2_656
N5 O37 Dy5 94.9(9) . .
N5 O38 Dy5 97.3(9) . .
O38 N5 O39 125.8(15) . .
O38 N5 O37 112.9(13) . .
O39 N5 O37 121.1(14) . .
O38 N5 Dy5 57.5(7) . .
O39 N5 Dy5 170.4(11) . .
O37 N5 Dy5 57.4(7) . .
O46 Dy6 O47 72.34(16) . .
O46 Dy6 O47 72.34(16) . 2_755
O47 Dy6 O47 144.7(3) . 2_755
O46 Dy6 O48 141.17(15) . 2_755
O47 Dy6 O48 139.4(2) . 2_755
O47 Dy6 O48 73.4(2) 2_755 2_755
O46 Dy6 O48 141.17(15) . .
O47 Dy6 O48 73.4(2) . .
O47 Dy6 O48 139.4(2) 2_755 .
O48 Dy6 O48 77.7(3) 2_755 .
O46 Dy6 O43 107.39(17) . .
O47 Dy6 O43 117.4(2) . .
O47 Dy6 O43 73.8(2) 2_755 .
O48 Dy6 O43 79.6(2) 2_755 .
O48 Dy6 O43 73.5(2) . .
O46 Dy6 O43 107.39(17) . 2_755
O47 Dy6 O43 73.8(2) . 2_755
O47 Dy6 O43 117.4(2) 2_755 2_755
O48 Dy6 O43 73.5(2) 2_755 2_755
O48 Dy6 O43 79.6(2) . 2_755
O43 Dy6 O43 145.2(3) . 2_755
O46 Dy6 O44 74.7(2) . 2_755
O47 Dy6 O44 98.5(3) . 2_755
O47 Dy6 O44 72.1(3) 2_755 2_755
O48 Dy6 O44 77.9(3) 2_755 2_755
O48 Dy6 O44 128.3(3) . 2_755
O43 Dy6 O44 143.2(3) . 2_755
O43 Dy6 O44 50.0(2) 2_755 2_755
O46 Dy6 O44 74.7(2) . .
O47 Dy6 O44 72.1(3) . .
O47 Dy6 O44 98.5(3) 2_755 .
O48 Dy6 O44 128.3(3) 2_755 .
O48 Dy6 O44 77.9(3) . .
O43 Dy6 O44 50.0(2) . .
O43 Dy6 O44 143.2(3) 2_755 .
O44 Dy6 O44 149.4(4) 2_755 .
O46 Dy6 N6 91.82(16) . 2_755
O47 Dy6 N6 86.8(2) . 2_755
O47 Dy6 N6 94.3(2) 2_755 2_755
O48 Dy6 N6 73.1(2) 2_755 2_755
O48 Dy6 N6 104.0(2) . 2_755
O43 Dy6 N6 152.4(2) . 2_755
O43 Dy6 N6 25.2(2) 2_755 2_755
O44 Dy6 N6 24.8(3) 2_755 2_755
O44 Dy6 N6 157.5(3) . 2_755
O46 Dy6 N6 91.82(16) . .
O47 Dy6 N6 94.3(2) . .
O47 Dy6 N6 86.9(2) 2_755 .
O48 Dy6 N6 104.0(2) 2_755 .
O48 Dy6 N6 73.1(2) . .
O43 Dy6 N6 25.2(2) . .
O43 Dy6 N6 152.4(2) 2_755 .
O44 Dy6 N6 157.5(3) 2_755 .
O44 Dy6 N6 24.8(3) . .
N6 Dy6 N6 176.4(3) 2_755 .
N6 O43 Dy6 98.4(5) . .
N6 O44 Dy6 95.4(6) . .
O45 N6 O44 120.3(9) . .
O45 N6 O43 123.8(8) . .
O44 N6 O43 116.0(7) . .
O45 N6 Dy6 176.0(8) . .
O44 N6 Dy6 59.7(5) . .
O43 N6 Dy6 56.4(4) . .
O109 O109 N107 145.1(7) 2_656 .
O138 O137 N116 78(6) 2_755 .
O137 O138 N116 83(6) 2_755 .
N117 O140 O177 106.2(13) . .
N117 O141 N117 141.9(14) . 2_756
O97 N103 O99 124.5(12) . .
O97 N103 O98 119.0(11) . .
O99 N103 O98 116.1(11) . .
O101 N104 O100 122.2(13) . .
O101 N104 O102 120.5(11) . .
O100 N104 O102 117.2(12) . .
O103 N105 O105 120.1(11) . .
O103 N105 O104 121.2(11) . .
O105 N105 O104 118.7(10) . .
O108 N106 O106 118.2(16) . .
O108 N106 O107 130.9(18) . .
O106 N106 O107 110.8(16) . .
O109 N107 O111 120.3(9) . .
O109 N107 O110 119.8(9) . .
O111 N107 O110 119.9(9) . .
O114 N108 O112 119.0(9) . .
O114 N108 O113 122.0(9) . .
O112 N108 O113 119.1(9) . .
O115 N109 O117 126.2(10) . .
O115 N109 O116 117.7(9) . .
O117 N109 O116 115.7(9) . .
O119 N110 O118 124.9(14) . .
O119 N110 O120 119.5(13) . .
O118 N110 O120 115.7(12) . .
O123 N111 O121 125.5(14) . .
O123 N111 O122 120.8(14) . .
O121 N111 O122 113.7(14) . .
O126 N112 O124 120.6(7) . .
O126 N112 O125 119.9(7) . .
O124 N112 O125 118.7(7) . .
O127 N113 O128 114.2(7) . .
O127 N113 O129 123.4(8) . .
O128 N113 O129 121.8(8) . .
O132 N114 O130 116.7(7) . .
O132 N114 O131 127.1(8) . .
O130 N114 O131 114.8(7) . .
O133 N115 O135 117.2(7) . .
O133 N115 O134 116.8(7) . .
O135 N115 O134 126.0(7) . .
O136 N116 O138 119.3(12) . .
O136 N116 O137 118.9(12) . .
O138 N116 O137 118.1(14) . .
O139 N117 O140 117.6(10) . .
O139 N117 O141 115.6(10) . .
O140 N117 O141 117.0(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O1 2.311(5) .
Dy1 O3 2.355(6) .
Dy1 O7 2.373(7) .
Dy1 O5 2.373(6) .
Dy1 O4 2.378(6) .
Dy1 O8 2.401(6) .
Dy1 O6 2.420(6) .
Dy1 O9 2.423(7) .
S1 C5 1.801(11) .
S1 C4 1.829(10) .
O1 C1 1.286(11) .
O2 C1 1.257(11) .
O49 C21 1.208(10) .
O50 C24 1.200(11) .
O51 C27 1.226(10) .
O52 C30 1.247(10) .
O53 C33 1.204(10) .
O54 C36 1.201(10) .
O55 C39 1.230(11) .
O56 C42 1.289(12) .
O57 C45 1.233(11) .
O58 C48 1.231(13) .
O59 C51 1.214(12) .
O60 C54 1.229(12) .
N1 C2 1.448(11) .
N1 H1A 0.9012 .
N1 H1B 0.8454 .
N1 H1C 0.9671 .
N7 C21 1.400(12) .
N7 C22 1.449(11) .
N7 C55 1.464(12) .
N8 C21 1.378(11) .
N8 C25 1.438(12) .
N8 C23 1.484(11) .
N9 C24 1.362(13) .
N9 C23 1.434(12) .
N9 C26 1.470(13) .
N10 C24 1.400(12) .
N10 C22 1.421(12) .
N10 C56 1.434(13) .
N11 C27 1.350(12) .
N11 C25 1.438(12) .
N11 C28 1.445(11) .
N12 C27 1.388(12) .
N12 C31 1.432(12) .
N12 C29 1.449(10) .
N13 C30 1.343(11) .
N13 C29 1.433(10) .
N13 C32 1.446(12) .
N14 C30 1.363(12) .
N14 C26 1.434(12) .
N14 C28 1.440(11) .
N15 C33 1.359(11) .
N15 C31 1.438(11) .
N15 C34 1.466(11) .
N16 C33 1.375(12) .
N16 C37 1.456(12) .
N16 C35 1.456(11) .
N17 C36 1.347(11) .
N17 C35 1.442(11) .
N17 C38 1.473(11) .
N18 C36 1.390(11) .
N18 C32 1.430(10) .
N18 C34 1.439(11) .
N19 C39 1.370(12) .
N19 C37 1.439(11) .
N19 C40 1.439(11) .
N20 C39 1.359(12) .
N20 C41 1.430(13) .
N20 C43 1.458(12) .
N21 C42 1.361(13) .
N21 C44 1.416(14) .
N21 C41 1.444(12) .
N22 C42 1.327(13) .
N22 C38 1.440(12) .
N22 C40 1.453(10) .
N23 C45 1.376(13) .
N23 C43 1.422(14) .
N23 C46 1.462(11) .
N24 C45 1.351(12) .
N24 C47 1.435(13) .
N24 C49 1.437(14) .
N25 C48 1.385(15) .
N25 C50 1.429(14) .
N25 C47 1.478(12) .
N26 C48 1.308(14) .
N26 C46 1.464(13) .
N26 C44 1.507(15) .
N27 C51 1.367(14) .
N27 C52 1.426(11) .
N27 C49 1.426(13) .
N28 C51 1.365(14) .
N28 C53 1.436(12) .
N28 C55 1.475(13) .
N29 C54 1.369(13) .
N29 C56 1.419(13) .
N29 C53 1.469(12) .
N30 C54 1.382(12) .
N30 C52 1.418(14) .
N30 C50 1.474(13) .
C1 C2 1.526(11) .
C2 C3 1.533(12) .
C2 H2 0.9800 .
C3 C4 1.514(12) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 H4D 0.9700 .
C4 H4E 0.9700 .
C5 H5A 0.9600 .
C5 H5B 0.9600 .
C5 H5C 0.9600 .
C22 C23 1.539(15) .
C22 H22 0.9800 .
C23 H23 0.9800 .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C28 C29 1.551(13) .
C28 H28 0.9800 .
C29 H29 0.9800 .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C34 C35 1.535(13) .
C34 H34 0.9800 .
C35 H35 0.9800 .
C37 H37A 0.9700 .
C37 H37B 0.9700 .
C38 H38A 0.9700 .
C38 H38B 0.9700 .
C40 C41 1.531(14) .
C40 H40 0.9800 .
C41 H41 0.9800 .
C43 H43A 0.9700 .
C43 H43B 0.9700 .
C44 H44A 0.9700 .
C44 H44B 0.9700 .
C46 C47 1.508(16) .
C46 H46 0.9800 .
C47 H47 0.9800 .
C49 H49A 0.9700 .
C49 H49B 0.9700 .
C50 H50A 0.9700 .
C50 H50B 0.9700 .
C52 C53 1.591(15) .
C52 H52 0.9800 .
C53 H53 0.9800 .
C55 H55A 0.9700 .
C55 H55B 0.9700 .
C56 H56A 0.9700 .
C56 H56B 0.9700 .
Dy2 O10 2.322(5) .
Dy2 O18 2.371(7) .
Dy2 O14 2.376(6) .
Dy2 O13 2.376(6) .
Dy2 O16 2.389(5) .
Dy2 O15 2.390(6) .
Dy2 O12 2.399(7) .
Dy2 O17 2.403(6) .
S2 C9 1.792(9) .
S2 C10 1.806(13) .
O10 C6 1.226(10) .
O11 C6 1.268(11) .
O61 C57 1.251(11) .
O62 C60 1.183(11) .
O63 C63 1.207(11) .
O64 C66 1.167(13) .
O65 C69 1.248(11) .
O66 C72 1.198(13) .
O67 C75 1.187(11) .
O68 C78 1.205(11) .
O69 C81 1.231(11) .
O70 C84 1.213(11) .
O71 C87 1.223(10) .
O72 C90 1.255(11) .
N2 C7 1.458(11) .
N2 H2A 0.7141 .
N2 H2B 0.6899 .
N2 H2C 0.9569 .
N31 C57 1.339(11) .
N31 C91 1.408(13) .
N31 C58 1.495(11) .
N32 C57 1.358(13) .
N32 C61 1.457(12) .
N32 C59 1.478(11) .
N33 C59 1.401(12) .
N33 C60 1.413(12) .
N33 C62 1.433(13) .
N34 C60 1.407(14) .
N34 C92 1.425(12) .
N34 C58 1.431(11) .
N35 C63 1.371(14) .
N35 C64 1.429(11) .
N35 C61 1.445(13) .
N36 C65 1.380(13) .
N36 C63 1.401(12) .
N36 C67 1.473(14) .
N37 C68 1.383(14) .
N37 C66 1.396(15) .
N37 C65 1.455(12) .
N38 C66 1.402(14) .
N38 C62 1.450(14) .
N38 C64 1.466(11) .
N39 C69 1.327(13) .
N39 C70 1.428(11) .
N39 C67 1.434(13) .
N40 C69 1.362(12) .
N40 C71 1.456(12) .
N40 C73 1.481(14) .
N41 C72 1.366(15) .
N41 C71 1.449(12) .
N41 C74 1.453(13) .
N42 C72 1.363(13) .
N42 C70 1.449(13) .
N42 C68 1.477(14) .
N43 C75 1.390(12) .
N43 C73 1.428(12) .
N43 C76 1.450(12) .
N44 C75 1.412(12) .
N44 C77 1.417(11) .
N44 C79 1.429(12) .
N45 C78 1.388(12) .
N45 C77 1.437(12) .
N45 C80 1.446(11) .
N46 C78 1.363(12) .
N46 C74 1.454(12) .
N46 C76 1.467(12) .
N47 C81 1.373(12) .
N47 C82 1.438(11) .
N47 C79 1.451(12) .
N48 C81 1.331(12) .
N48 C85 1.458(11) .
N48 C83 1.476(11) .
N49 C84 1.347(12) .
N49 C83 1.413(12) .
N49 C86 1.472(12) .
N50 C84 1.343(12) .
N50 C80 1.452(12) .
N50 C82 1.475(12) .
N51 C87 1.382(12) .
N51 C85 1.434(12) .
N51 C88 1.442(11) .
N52 C87 1.383(12) .
N52 C89 1.430(11) .
N52 C91 1.455(12) .
N53 C90 1.360(12) .
N53 C92 1.418(12) .
N53 C89 1.477(12) .
N54 C90 1.352(12) .
N54 C86 1.425(12) .
N54 C88 1.472(10) .
C6 C7 1.569(10) .
C7 C8 1.535(11) .
C7 H7 0.9800 .
C8 C9 1.520(11) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C58 C59 1.508(14) .
C58 H58 0.9800 .
C59 H59 0.9800 .
C61 H61A 0.9700 .
C61 H61B 0.9700 .
C62 H62A 0.9700 .
C62 H62B 0.9700 .
C64 C65 1.600(16) .
C64 H64 0.9800 .
C65 H65 0.9800 .
C67 H67A 0.9700 .
C67 H67B 0.9700 .
C68 H68A 0.9700 .
C68 H68B 0.9700 .
C70 C71 1.543(14) .
C70 H70 0.9800 .
C71 H71 0.9800 .
C73 H73A 0.9700 .
C73 H73B 0.9700 .
C74 H74A 0.9700 .
C74 H74B 0.9700 .
C76 C77 1.531(13) .
C76 H76 0.9800 .
C77 H77 0.9800 .
C79 H79A 0.9700 .
C79 H79B 0.9700 .
C80 H80A 0.9700 .
C80 H80B 0.9700 .
C82 C83 1.523(14) .
C82 H82 0.9800 .
C83 H83 0.9800 .
C85 H85A 0.9700 .
C85 H85B 0.9700 .
C86 H86A 0.9700 .
C86 H86B 0.9700 .
C88 C89 1.565(14) .
C88 H88 0.9800 .
C89 H89 0.9800 .
C91 H91A 0.9700 .
C91 H91B 0.9700 .
C92 H92A 0.9700 .
C92 H92B 0.9700 .
Dy3 O19 2.294(6) .
Dy3 O23 2.363(7) .
Dy3 O22 2.365(6) .
Dy3 O21 2.372(6) .
Dy3 O27 2.381(6) .
Dy3 O25 2.400(6) .
Dy3 O26 2.402(6) .
Dy3 O24 2.403(6) .
S3 C15 1.809(18) .
S3 C14 1.820(9) .
O19 C11 1.278(10) .
O20 C11 1.246(11) .
O73 C93 1.207(11) .
O74 C96 1.215(12) .
O75 C99 1.247(11) .
O76 C102 1.222(11) .
O77 C105 1.238(10) .
O78 C108 1.200(11) .
O79 C111 1.221(11) .
O80 C114 1.233(11) .
O81 C117 1.220(11) .
O82 C120 1.230(12) .
O83 C123 1.195(11) .
O84 C126 1.182(13) .
N3 C12 1.471(11) .
N55 C93 1.353(12) .
N55 C94 1.448(13) .
N55 C127 1.469(12) .
N56 C93 1.407(12) .
N56 C97 1.452(12) .
N56 C95 1.458(11) .
N57 C96 1.392(14) .
N57 C95 1.437(11) .
N57 C98 1.445(12) .
N58 C96 1.357(14) .
N58 C94 1.429(11) .
N58 C128 1.486(14) .
N59 C99 1.369(12) .
N59 C97 1.440(11) .
N59 C100 1.485(10) .
N60 C99 1.337(11) .
N60 C101 1.446(11) .
N60 C103 1.447(11) .
N61 C102 1.360(12) .
N61 C104 1.449(11) .
N61 C101 1.460(11) .
N62 C102 1.356(12) .
N62 C100 1.417(11) .
N62 C98 1.451(11) .
N63 C105 1.370(11) .
N63 C106 1.450(11) .
N63 C103 1.458(12) .
N64 C105 1.392(11) .
N64 C109 1.423(12) .
N64 C107 1.486(10) .
N65 C108 1.369(12) .
N65 C110 1.389(13) .
N65 C107 1.476(11) .
N66 C108 1.365(13) .
N66 C104 1.454(12) .
N66 C106 1.465(10) .
N67 C111 1.389(12) .
N67 C109 1.436(13) .
N67 C112 1.458(12) .
N68 C111 1.364(12) .
N68 C113 1.438(11) .
N68 C115 1.473(12) .
N69 C114 1.344(14) .
N69 C116 1.441(14) .
N69 C113 1.478(12) .
N70 C114 1.380(13) .
N70 C112 1.433(12) .
N70 C110 1.452(13) .
N71 C117 1.374(12) .
N71 C115 1.417(13) .
N71 C118 1.484(14) .
N72 C117 1.389(12) .
N72 C121 1.447(12) .
N72 C119 1.456(11) .
N73 C120 1.352(13) .
N73 C122 1.413(13) .
N73 C119 1.460(13) .
N74 C120 1.353(13) .
N74 C116 1.449(12) .
N74 C118 1.465(13) .
N75 C123 1.386(12) .
N75 C121 1.415(14) .
N75 C124 1.472(12) .
N76 C123 1.407(13) .
N76 C127 1.422(13) .
N76 C125 1.431(11) .
N77 C128 1.385(14) .
N77 C126 1.405(13) .
N77 C125 1.441(13) .
N78 C126 1.372(15) .
N78 C124 1.387(13) .
N78 C122 1.487(13) .
C11 C12 1.515(11) .
C12 C13 1.530(11) .
C12 H12 0.9800 .
C13 C14 1.478(12) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C94 C95 1.584(15) .
C94 H94 0.9800 .
C95 H95 0.9800 .
C97 H97A 0.9700 .
C97 H97B 0.9700 .
C98 H98A 0.9700 .
C98 H98B 0.9700 .
C100 C101 1.541(12) .
C100 H100 0.9800 .
C101 H101 0.9800 .
C103 H10D 0.9700 .
C103 H10E 0.9700 .
C104 H10F 0.9700 .
C104 H10G 0.9700 .
C106 C107 1.531(14) .
C106 H106 0.9800 .
C107 H107 0.9800 .
C109 H10H 0.9700 .
C109 H10I 0.9700 .
C110 H11A 0.9700 .
C110 H11B 0.9700 .
C112 C113 1.548(14) .
C112 H112 0.9800 .
C113 H113 0.9800 .
C115 H11C 0.9700 .
C115 H11D 0.9700 .
C116 H11E 0.9700 .
C116 H11F 0.9700 .
C118 C119 1.515(17) .
C118 H118 0.9800 .
C119 H119 0.9800 .
C121 H12A 0.9700 .
C121 H12B 0.9700 .
C122 H12C 0.9700 .
C122 H12D 0.9700 .
C124 C125 1.568(14) .
C124 H124 0.9800 .
C125 H125 0.9800 .
C127 H12E 0.9700 .
C127 H12F 0.9700 .
C128 H12G 0.9700 .
C128 H12H 0.9700 .
Dy4 O28 2.300(5) .
Dy4 O31 2.342(6) .
Dy4 O30 2.357(7) .
Dy4 O32 2.375(6) .
Dy4 O36 2.380(6) .
Dy4 O35 2.381(6) .
Dy4 O33 2.395(6) .
Dy4 O34 2.413(7) .
S4 C20 1.802(12) .
S4 C19 1.830(9) .
O28 C16 1.276(11) .
O29 C16 1.225(11) .
O85 C129 1.219(11) .
O86 C132 1.229(10) .
O87 C135 1.226(10) .
O88 C138 1.258(10) .
O89 C141 1.213(10) .
O90 C144 1.210(11) .
O91 C147 1.211(11) .
O92 C150 1.228(11) .
O93 C153 1.226(10) .
O94 C156 1.203(11) .
O95 C159 1.250(11) .
O96 C162 1.217(10) .
N4 C17 1.513(11) .
N4 H4A 0.8138 .
N4 H4B 0.7977 .
N4 H4C 0.9665 .
N79 C129 1.372(12) .
N79 C163 1.437(12) .
N79 C130 1.460(10) .
N80 C129 1.385(12) .
N80 C131 1.456(10) .
N80 C133 1.466(12) .
N81 C132 1.397(12) .
N81 C134 1.399(12) .
N81 C131 1.455(10) .
N82 C132 1.353(11) .
N82 C130 1.415(11) .
N82 C164 1.446(11) .
N83 C135 1.382(11) .
N83 C133 1.405(12) .
N83 C136 1.421(10) .
N84 C135 1.388(11) .
N84 C139 1.429(11) .
N84 C137 1.457(11) .
N85 C138 1.393(12) .
N85 C140 1.418(12) .
N85 C137 1.453(10) .
N86 C138 1.326(12) .
N86 C134 1.463(11) .
N86 C136 1.463(11) .
N87 C141 1.385(12) .
N87 C142 1.442(12) .
N87 C139 1.471(12) .
N88 C141 1.367(12) .
N88 C143 1.423(11) .
N88 C145 1.482(12) .
N89 C144 1.362(12) .
N89 C143 1.418(12) .
N89 C146 1.472(12) .
N90 C144 1.413(11) .
N90 C140 1.420(11) .
N90 C142 1.473(11) .
N91 C147 1.340(12) .
N91 C148 1.425(11) .
N91 C145 1.437(13) .
N92 C147 1.416(12) .
N92 C151 1.431(12) .
N92 C149 1.444(12) .
N93 C150 1.389(13) .
N93 C152 1.399(13) .
N93 C149 1.452(12) .
N94 C150 1.365(13) .
N94 C146 1.428(12) .
N94 C148 1.438(11) .
N95 C153 1.357(12) .
N95 C154 1.428(11) .
N95 C151 1.467(12) .
N96 C153 1.401(11) .
N96 C155 1.413(11) .
N96 C157 1.454(12) .
N97 C156 1.352(13) .
N97 C158 1.446(13) .
N97 C155 1.481(11) .
N98 C156 1.360(12) .
N98 C154 1.447(11) .
N98 C152 1.464(13) .
N99 C159 1.337(12) .
N99 C160 1.419(10) .
N99 C157 1.456(11) .
N100 C159 1.370(11) .
N100 C161 1.454(11) .
N100 C163 1.462(12) .
N101 C162 1.382(11) .
N101 C161 1.438(11) .
N101 C164 1.440(12) .
N102 C162 1.377(11) .
N102 C158 1.428(12) .
N102 C160 1.442(11) .
C16 C17 1.535(11) .
C17 C18 1.504(12) .
C17 H17 0.9800 .
C18 C19 1.523(11) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C130 C131 1.567(13) .
C130 H130 0.9800 .
C131 H131 0.9800 .
C133 H13C 0.9700 .
C133 H13D 0.9700 .
C134 H13E 0.9700 .
C134 H13F 0.9700 .
C136 C137 1.544(13) .
C136 H136 0.9800 .
C137 H137 0.9800 .
C139 H13G 0.9700 .
C139 H13H 0.9700 .
C140 H14C 0.9700 .
C140 H14D 0.9700 .
C142 C143 1.538(13) .
C142 H142 0.9800 .
C143 H143 0.9800 .
C145 H14E 0.9700 .
C145 H14F 0.9700 .
C146 H14G 0.9700 .
C146 H14H 0.9700 .
C148 C149 1.539(14) .
C148 H148 0.9800 .
C149 H149 0.9800 .
C151 H15D 0.9700 .
C151 H15E 0.9700 .
C152 H15F 0.9700 .
C152 H15G 0.9700 .
C154 C155 1.578(13) .
C154 H154 0.9800 .
C155 H155 0.9800 .
C157 H15H 0.9700 .
C157 H15I 0.9700 .
C158 H15J 0.9700 .
C158 H15K 0.9700 .
C160 C161 1.544(12) .
C160 H160 0.9800 .
C161 H161 0.9800 .
C163 H16A 0.9700 .
C163 H16B 0.9700 .
C164 H16C 0.9700 .
C164 H16D 0.9700 .
Dy5 O41 2.353(7) .
Dy5 O41 2.353(7) 2_656
Dy5 O42 2.410(10) .
Dy5 O42 2.410(10) 2_656
Dy5 O40 2.432(13) .
Dy5 O37 2.438(12) 2_656
Dy5 O37 2.438(12) .
Dy5 O38 2.453(10) .
Dy5 O38 2.453(10) 2_656
Dy5 N5 2.885(14) .
Dy5 N5 2.885(14) 2_656
O37 N5 1.349(17) .
O38 N5 1.237(15) .
O39 N5 1.253(17) .
Dy6 O46 2.275(12) .
Dy6 O47 2.378(6) .
Dy6 O47 2.378(6) 2_755
Dy6 O48 2.397(6) 2_755
Dy6 O48 2.397(6) .
Dy6 O43 2.452(6) .
Dy6 O43 2.452(6) 2_755
Dy6 O44 2.526(9) 2_755
Dy6 O44 2.526(9) .
Dy6 N6 2.912(7) 2_755
Dy6 N6 2.912(7) .
O43 N6 1.253(10) .
O44 N6 1.229(11) .
O45 N6 1.195(10) .
O97 N103 1.188(13) .
O98 N103 1.273(14) .
O99 N103 1.217(12) .
O100 N104 1.220(13) .
O101 N104 1.211(14) .
O102 N104 1.226(14) .
O103 N105 1.169(13) .
O104 N105 1.293(12) .
O105 N105 1.269(13) .
O106 N106 1.29(2) .
O107 N106 1.36(2) .
O108 N106 1.229(17) .
O109 N107 1.253(9) .
O110 N107 1.269(9) .
O111 N107 1.254(9) .
O112 N108 1.273(8) .
O113 N108 1.274(8) .
O114 N108 1.213(8) .
O115 N109 1.197(9) .
O116 N109 1.307(9) .
O117 N109 1.203(9) .
O118 N110 1.257(16) .
O119 N110 1.179(15) .
O120 N110 1.326(16) .
O121 N111 1.243(16) .
O122 N111 1.293(17) .
O123 N111 1.178(15) .
O124 N112 1.267(7) .
O125 N112 1.278(7) .
O126 N112 1.240(7) .
O127 N113 1.254(8) .
O128 N113 1.264(8) .
O129 N113 1.271(7) .
O130 N114 1.276(8) .
O131 N114 1.282(7) .
O132 N114 1.261(7) .
O133 N115 1.275(7) .
O134 N115 1.290(7) .
O135 N115 1.289(7) .
O136 N116 1.178(19) .
O137 N116 1.32(3) .
O138 N116 1.30(3) .
O139 N117 1.253(9) .
O140 N117 1.268(9) .
O140 O177 1.44(2) .
O141 N117 1.306(9) .
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
N1 H1A O49 0.90 2.09 2.800(9) 134.9 .
N1 H1B O71 0.85 2.27 2.911(9) 132.7 .
N1 H1C O142 0.97 1.94 2.877(7) 161.7 .
N2 H2A O51 0.71 2.14 2.840(9) 165.8 .
N2 H2B O61 0.69 2.15 2.809(9) 159.3 .
N2 H2C O123 0.96 2.26 2.861(7) 120.1 1_565
N4 H4A O77 0.81 2.19 2.817(9) 134.3 .
N4 H4B O85 0.80 2.24 2.789(9) 126.7 .
N4 H4B O87 0.80 2.30 2.964(9) 140.5 .
N4 H4C O156 0.97 1.92 2.854(10) 162.5 .
