# Supplementary Information (SI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_21kop1044
_database_code_depnum_ccdc_archive 'CCDC 2239615'
loop_
_audit_author_name
_audit_author_address
'Ilya Yakushev'
;Kurnakov Institute of general and inorganic chemistry, RAS
Russia
;
_audit_update_record             
;
2023-02-02 deposited with the CCDC.	2024-11-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C49 H81 Dy N5 O4 P2, Cl O4, C2 H3 N'
_chemical_formula_sum            'C51 H84 Cl Dy N6 O8 P2'
_chemical_formula_weight         1169.13

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   25.7341(6)
_cell_length_b                   16.5737(3)
_cell_length_c                   26.5177(5)
_cell_angle_alpha                90
_cell_angle_beta                 101.6240(10)
_cell_angle_gamma                90
_cell_volume                     11078.1(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9176
_cell_measurement_theta_min      2.47
_cell_measurement_theta_max      27.39

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.402
_exptl_crystal_F_000             4872
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.330
_exptl_crystal_size_min          0.190
_exptl_absorpt_coefficient_mu    1.510
_shelx_estimated_absorpt_T_min   0.570
_shelx_estimated_absorpt_T_max   0.762
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6330
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            172464
_diffrn_reflns_av_unetI/netI     0.0300
_diffrn_reflns_av_R_equivalents  0.0386
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_theta_min         1.588
_diffrn_reflns_theta_max         30.596
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             33918
_reflns_number_gt                26682
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX3'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0238P)²+5.1454P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         33918
_refine_ls_number_parameters     1253
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0424
_refine_ls_R_factor_gt           0.0273
_refine_ls_wR_factor_ref         0.0641
_refine_ls_wR_factor_gt          0.0590
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_restrained_S_all      1.013
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.59152(2) 0.25861(2) 0.40702(2) 0.01115(2) Uani 1 1 d . . . . .
P1 P 0.48610(2) 0.23800(3) 0.28750(2) 0.01400(8) Uani 1 1 d . . . . .
P2 P 0.70438(2) 0.26999(3) 0.52095(2) 0.01344(8) Uani 1 1 d . . . . .
O1 O 0.53436(5) 0.21204(7) 0.45586(5) 0.0190(2) Uani 1 1 d . . . . .
O2 O 0.57511(5) 0.39365(7) 0.41000(4) 0.0175(2) Uani 1 1 d . . . . .
O3 O 0.53225(5) 0.24451(7) 0.33303(5) 0.0171(2) Uani 1 1 d . . . . .
O4 O 0.65999(4) 0.26583(7) 0.47367(4) 0.0152(2) Uani 1 1 d . . . . .
N1 N 0.56202(5) 0.07881(8) 0.45212(5) 0.0172(3) Uani 1 1 d . . . . .
N2 N 0.59199(5) 0.11165(8) 0.41899(5) 0.0140(3) Uani 1 1 d . . . . .
N3 N 0.64993(5) 0.18350(8) 0.36092(5) 0.0134(3) Uani 1 1 d . . . . .
N4 N 0.64160(5) 0.34216(8) 0.35761(5) 0.0143(3) Uani 1 1 d . . . . .
N5 N 0.63477(6) 0.42581(8) 0.35764(5) 0.0168(3) Uani 1 1 d . . . . .
C1 C 0.53457(6) 0.13722(10) 0.46889(6) 0.0163(3) Uani 1 1 d . . . . .
C2 C 0.50096(7) 0.11275(11) 0.50649(7) 0.0236(4) Uani 1 1 d . . . . .
H2A H 0.503256 0.154113 0.533256 0.035 Uiso 1 1 calc R U . . .
H2B H 0.513690 0.061145 0.522354 0.035 Uiso 1 1 calc R U . . .
H2C H 0.463991 0.107030 0.488389 0.035 Uiso 1 1 calc R U . . .
C3 C 0.61914(6) 0.06274(10) 0.39654(6) 0.0157(3) Uani 1 1 d . . . . .
C4 C 0.61956(8) -0.02682(11) 0.40279(8) 0.0301(4) Uani 1 1 d . . . . .
H4A H 0.599042 -0.041576 0.428788 0.045 Uiso 1 1 calc R U . . .
H4B H 0.656202 -0.045576 0.413817 0.045 Uiso 1 1 calc R U . . .
H4C H 0.603693 -0.052074 0.369869 0.045 Uiso 1 1 calc R U . . .
C5 C 0.65123(6) 0.10206(10) 0.36258(6) 0.0145(3) Uani 1 1 d . . . . .
C6 C 0.68104(7) 0.05766(10) 0.33384(7) 0.0196(3) Uani 1 1 d . . . . .
H6 H 0.681400 0.000373 0.335113 0.024 Uiso 1 1 calc R U . . .
C7 C 0.71014(7) 0.09883(11) 0.30339(7) 0.0232(4) Uani 1 1 d . . . . .
H7 H 0.730734 0.069662 0.283594 0.028 Uiso 1 1 calc R U . . .
C8 C 0.70927(7) 0.18265(11) 0.30174(7) 0.0199(3) Uani 1 1 d . . . . .
H8 H 0.729220 0.211541 0.281189 0.024 Uiso 1 1 calc R U . . .
C9 C 0.67826(6) 0.22310(10) 0.33116(6) 0.0144(3) Uani 1 1 d . . . . .
C10 C 0.67369(6) 0.31299(10) 0.33047(6) 0.0142(3) Uani 1 1 d . . . . .
C11 C 0.70406(7) 0.36147(10) 0.29886(7) 0.0193(3) Uani 1 1 d . . . . .
H11A H 0.692671 0.346862 0.262497 0.029 Uiso 1 1 calc R U . . .
H11B H 0.742047 0.350404 0.310024 0.029 Uiso 1 1 calc R U . . .
H11C H 0.697418 0.419009 0.303281 0.029 Uiso 1 1 calc R U . . .
C12 C 0.59989(6) 0.44399(10) 0.38614(6) 0.0164(3) Uani 1 1 d . . . . .
C13 C 0.58840(8) 0.53204(10) 0.39096(8) 0.0255(4) Uani 1 1 d . . . . .
H13A H 0.550378 0.541782 0.378815 0.038 Uiso 1 1 calc R U . . .
H13B H 0.608531 0.563451 0.370109 0.038 Uiso 1 1 calc R U . . .
H13C H 0.598797 0.548426 0.427097 0.038 Uiso 1 1 calc R U . . .
C14 C 0.44786(6) 0.14829(10) 0.29521(6) 0.0168(3) Uani 1 1 d . . . . .
H14 H 0.429732 0.159287 0.324496 0.020 Uiso 1 1 calc R U . . .
C15 C 0.48474(7) 0.07602(10) 0.31125(7) 0.0219(4) Uani 1 1 d . . . . .
H15A H 0.504076 0.063466 0.283495 0.026 Uiso 1 1 calc R U . . .
H15B H 0.511188 0.089914 0.342617 0.026 Uiso 1 1 calc R U . . .
C16 C 0.45313(8) 0.00199(11) 0.32183(7) 0.0266(4) Uani 1 1 d . . . . .
H16A H 0.477345 -0.044827 0.329302 0.032 Uiso 1 1 calc R U . . .
H16B H 0.437854 0.012193 0.352646 0.032 Uiso 1 1 calc R U . . .
C17 C 0.40864(7) -0.01822(11) 0.27653(7) 0.0249(4) Uani 1 1 d . . . . .
H17A H 0.387445 -0.063503 0.286049 0.030 Uiso 1 1 calc R U . . .
H17B H 0.424066 -0.035710 0.247002 0.030 Uiso 1 1 calc R U . . .
C18 C 0.37256(7) 0.05430(11) 0.26068(8) 0.0284(4) Uani 1 1 d . . . . .
H18A H 0.354068 0.068085 0.288850 0.034 Uiso 1 1 calc R U . . .
H18B H 0.345369 0.040275 0.229883 0.034 Uiso 1 1 calc R U . . .
C19 C 0.40424(7) 0.12723(10) 0.24869(7) 0.0226(4) Uani 1 1 d . . . . .
H19A H 0.380196 0.173984 0.239781 0.027 Uiso 1 1 calc R U . . .
H19B H 0.420408 0.115099 0.218681 0.027 Uiso 1 1 calc R U . . .
C20 C 0.51076(7) 0.22477(11) 0.22802(6) 0.0185(3) Uani 1 1 d . . . . .
H20 H 0.515253 0.165245 0.224470 0.022 Uiso 1 1 calc R U . . .
C21 C 0.47386(7) 0.25137(11) 0.17812(7) 0.0235(4) Uani 1 1 d . . . . .
H21A H 0.438555 0.226143 0.175623 0.028 Uiso 1 1 calc R U . . .
H21B H 0.469317 0.310679 0.178178 0.028 Uiso 1 1 calc R U . . .
C22 C 0.49741(8) 0.22622(14) 0.13195(7) 0.0313(5) Uani 1 1 d . . . . .
H22A H 0.499007 0.166609 0.130455 0.038 Uiso 1 1 calc R U . . .
H22B H 0.474032 0.245361 0.099870 0.038 Uiso 1 1 calc R U . . .
C23 C 0.55255(8) 0.26047(12) 0.13532(7) 0.0296(4) Uani 1 1 d . . . . .
H23A H 0.550371 0.320022 0.132835 0.035 Uiso 1 1 calc R U . . .
H23B H 0.567250 0.240410 0.105921 0.035 Uiso 1 1 calc R U . . .
C24 C 0.58961(7) 0.23700(12) 0.18543(7) 0.0273(4) Uani 1 1 d . . . . .
H24A H 0.624251 0.264166 0.187575 0.033 Uiso 1 1 calc R U . . .
H24B H 0.595719 0.178007 0.185858 0.033 Uiso 1 1 calc R U . . .
C25 C 0.56626(7) 0.26074(12) 0.23189(7) 0.0235(4) Uani 1 1 d . . . . .
H25A H 0.564219 0.320276 0.233842 0.028 Uiso 1 1 calc R U . . .
H25B H 0.589817 0.241299 0.263786 0.028 Uiso 1 1 calc R U . . .
C26 C 0.44411(7) 0.32638(10) 0.28496(7) 0.0170(3) Uani 1 1 d . . . . .
H26 H 0.413980 0.321417 0.254730 0.020 Uiso 1 1 calc R U . . .
C27 C 0.47565(7) 0.40368(10) 0.27883(8) 0.0247(4) Uani 1 1 d . . . . .
H27A H 0.507442 0.406584 0.306885 0.030 Uiso 1 1 calc R U . . .
H27B H 0.487670 0.401882 0.245655 0.030 Uiso 1 1 calc R U . . .
C28 C 0.44129(9) 0.47879(12) 0.28040(9) 0.0341(5) Uani 1 1 d . . . . .
H28A H 0.462599 0.527647 0.277401 0.041 Uiso 1 1 calc R U . . .
H28B H 0.411058 0.477834 0.250670 0.041 Uiso 1 1 calc R U . . .
C29 C 0.42034(9) 0.48306(12) 0.32993(9) 0.0340(5) Uani 1 1 d . . . . .
H29A H 0.397218 0.530990 0.329086 0.041 Uiso 1 1 calc R U . . .
H29B H 0.450391 0.488811 0.359570 0.041 Uiso 1 1 calc R U . . .
C30 C 0.38903(8) 0.40742(11) 0.33663(8) 0.0269(4) Uani 1 1 d . . . . .
H30A H 0.356731 0.405314 0.309120 0.032 Uiso 1 1 calc R U . . .
H30B H 0.377707 0.409932 0.370131 0.032 Uiso 1 1 calc R U . . .
C31 C 0.42156(7) 0.33071(11) 0.33459(7) 0.0224(4) Uani 1 1 d . . . . .
H31A H 0.398837 0.283003 0.336337 0.027 Uiso 1 1 calc R U . . .
H31B H 0.451193 0.329221 0.364869 0.027 Uiso 1 1 calc R U . . .
C32 C 0.70132(6) 0.18328(10) 0.56184(6) 0.0154(3) Uani 1 1 d . . . . .
H32 H 0.732933 0.184414 0.590794 0.018 Uiso 1 1 calc R U . . .
C33 C 0.65081(7) 0.18548(10) 0.58467(7) 0.0196(3) Uani 1 1 d . . . . .
H33A H 0.651317 0.234286 0.606294 0.024 Uiso 1 1 calc R U . . .
H33B H 0.619203 0.188517 0.556412 0.024 Uiso 1 1 calc R U . . .
C34 C 0.64707(7) 0.11049(11) 0.61718(7) 0.0231(4) Uani 1 1 d . . . . .
H34A H 0.676493 0.111167 0.647661 0.028 Uiso 1 1 calc R U . . .
H34B H 0.613296 0.111983 0.629602 0.028 Uiso 1 1 calc R U . . .
C35 C 0.64967(7) 0.03244(11) 0.58734(8) 0.0251(4) Uani 1 1 d . . . . .
H35A H 0.649469 -0.014323 0.610523 0.030 Uiso 1 1 calc R U . . .
H35B H 0.618132 0.028394 0.559061 0.030 Uiso 1 1 calc R U . . .
C36 C 0.69988(7) 0.03068(11) 0.56515(8) 0.0254(4) Uani 1 1 d . . . . .
H36A H 0.700254 -0.018975 0.544471 0.030 Uiso 1 1 calc R U . . .
H36B H 0.731368 0.029631 0.593611 0.030 Uiso 1 1 calc R U . . .
C37 C 0.70274(7) 0.10452(10) 0.53128(7) 0.0205(4) Uani 1 1 d . . . . .
H37A H 0.672461 0.103654 0.501585 0.025 Uiso 1 1 calc R U . . .
H37B H 0.735889 0.102499 0.517776 0.025 Uiso 1 1 calc R U . . .
C38 C 0.76916(6) 0.27487(11) 0.50232(7) 0.0192(3) Uani 1 1 d . . . . .
H38 H 0.778365 0.333441 0.501762 0.023 Uiso 1 1 calc R U . . .
C39 C 0.76634(7) 0.24396(11) 0.44760(7) 0.0244(4) Uani 1 1 d . . . . .
H39A H 0.737714 0.272559 0.423731 0.029 Uiso 1 1 calc R U . . .
H39B H 0.757767 0.185665 0.446079 0.029 Uiso 1 1 calc R U . . .
C40 C 0.81921(8) 0.25741(12) 0.43074(8) 0.0299(4) Uani 1 1 d . . . . .
H40A H 0.817243 0.233755 0.396124 0.036 Uiso 1 1 calc R U . . .
H40B H 0.825621 0.316061 0.428377 0.036 Uiso 1 1 calc R U . . .
C41 C 0.86533(7) 0.21930(13) 0.46838(8) 0.0317(5) Uani 1 1 d . . . . .
H41A H 0.861478 0.159859 0.467129 0.038 Uiso 1 1 calc R U . . .
H41B H 0.899049 0.233120 0.457887 0.038 Uiso 1 1 calc R U . . .
C42 C 0.86745(7) 0.24830(12) 0.52318(9) 0.0315(5) Uani 1 1 d . . . . .
H42A H 0.876197 0.306531 0.525439 0.038 Uiso 1 1 calc R U . . .
H42B H 0.895953 0.219097 0.546823 0.038 Uiso 1 1 calc R U . . .
C43 C 0.81485(7) 0.23476(11) 0.54009(7) 0.0231(4) Uani 1 1 d . . . . .
H43A H 0.816918 0.257582 0.574940 0.028 Uiso 1 1 calc R U . . .
H43B H 0.807982 0.176143 0.541733 0.028 Uiso 1 1 calc R U . . .
C44 C 0.69752(7) 0.36144(10) 0.55680(6) 0.0170(3) Uani 1 1 d . . . . .
H44 H 0.665396 0.354297 0.572182 0.020 Uiso 1 1 calc R U . . .
C45 C 0.68703(7) 0.43496(10) 0.52087(7) 0.0198(3) Uani 1 1 d . . . . .
H45A H 0.717913 0.444043 0.504550 0.024 Uiso 1 1 calc R U . . .
H45B H 0.655623 0.424560 0.493282 0.024 Uiso 1 1 calc R U . . .
C46 C 0.67740(7) 0.51004(10) 0.55115(7) 0.0230(4) Uani 1 1 d . . . . .
H46A H 0.672881 0.557356 0.527887 0.028 Uiso 1 1 calc R U . . .
H46B H 0.644171 0.503017 0.564060 0.028 Uiso 1 1 calc R U . . .
C47 C 0.72305(7) 0.52605(11) 0.59654(7) 0.0239(4) Uani 1 1 d . . . . .
H47A H 0.755463 0.539539 0.583555 0.029 Uiso 1 1 calc R U . . .
H47B H 0.714181 0.572798 0.616466 0.029 Uiso 1 1 calc R U . . .
C48 C 0.73363(8) 0.45238(11) 0.63159(7) 0.0279(4) Uani 1 1 d . . . . .
H48A H 0.702519 0.442400 0.647429 0.033 Uiso 1 1 calc R U . . .
H48B H 0.764601 0.463070 0.659613 0.033 Uiso 1 1 calc R U . . .
C49 C 0.74445(8) 0.37741(11) 0.60161(7) 0.0244(4) Uani 1 1 d . . . . .
H49A H 0.749856 0.330132 0.624901 0.029 Uiso 1 1 calc R U . . .
H49B H 0.777192 0.385522 0.588031 0.029 Uiso 1 1 calc R U . . .
Dy2 Dy 0.90812(2) 0.74661(2) 0.59603(2) 0.01120(2) Uani 1 1 d . . . . .
P1A P 0.78738(2) 0.74590(2) 0.48914(2) 0.01267(8) Uani 1 1 d . . . . .
P2A P 1.02459(2) 0.76135(3) 0.70575(2) 0.01387(8) Uani 1 1 d . . . . .
O1A O 0.91832(4) 0.61073(7) 0.58986(4) 0.0163(2) Uani 1 1 d . . . . .
O2A O 0.95904(5) 0.78824(7) 0.54010(5) 0.0183(2) Uani 1 1 d . . . . .
O3A O 0.83422(4) 0.74581(6) 0.53428(4) 0.0151(2) Uani 1 1 d . . . . .
O4A O 0.97461(5) 0.75820(7) 0.66421(4) 0.0168(2) Uani 1 1 d . . . . .
N1A N 0.86194(6) 0.58273(8) 0.64613(5) 0.0164(3) Uani 1 1 d . . . . .
N2A N 0.85924(5) 0.66656(8) 0.64835(5) 0.0145(3) Uani 1 1 d . . . . .
N3A N 0.85632(5) 0.82585(8) 0.64673(5) 0.0138(3) Uani 1 1 d . . . . .
N4A N 0.91223(5) 0.89360(8) 0.58489(5) 0.0149(3) Uani 1 1 d . . . . .
N5A N 0.94264(6) 0.92431(8) 0.55140(5) 0.0184(3) Uani 1 1 d . . . . .
C1A C 0.89330(6) 0.56183(10) 0.61466(6) 0.0152(3) Uani 1 1 d . . . . .
C2A C 0.90079(8) 0.47329(10) 0.60753(7) 0.0238(4) Uani 1 1 d . . . . .
H2AA H 0.890939 0.459892 0.570849 0.036 Uiso 1 1 calc R U . . .
H2AB H 0.878281 0.442960 0.626558 0.036 Uiso 1 1 calc R U . . .
H2AC H 0.938042 0.459048 0.620521 0.036 Uiso 1 1 calc R U . . .
C3A C 0.82998(6) 0.69809(10) 0.67739(6) 0.0143(3) Uani 1 1 d . . . . .
C4A C 0.79843(7) 0.65157(11) 0.70904(7) 0.0205(4) Uani 1 1 d . . . . .
H4AA H 0.810099 0.665987 0.745400 0.031 Uiso 1 1 calc R U . . .
H4AB H 0.803773 0.593656 0.704638 0.031 Uiso 1 1 calc R U . . .
H4AC H 0.760713 0.664566 0.697829 0.031 Uiso 1 1 calc R U . . .
C5A C 0.82822(6) 0.78819(10) 0.67742(6) 0.0150(3) Uani 1 1 d . . . . .
C6A C 0.79821(7) 0.83093(11) 0.70689(7) 0.0206(4) Uani 1 1 d . . . . .
H6A H 0.778752 0.803498 0.728533 0.025 Uiso 1 1 calc R U . . .
C7A C 0.79759(7) 0.91439(11) 0.70372(7) 0.0237(4) Uani 1 1 d . . . . .
H7A H 0.777376 0.944894 0.723232 0.028 Uiso 1 1 calc R U . . .
C8A C 0.82643(7) 0.95345(10) 0.67213(7) 0.0194(3) Uani 1 1 d . . . . .
H8A H 0.826199 1.010648 0.669780 0.023 Uiso 1 1 calc R U . . .
C9A C 0.85578(6) 0.90732(10) 0.64384(6) 0.0152(3) Uani 1 1 d . . . . .
C10A C 0.88782(7) 0.94435(10) 0.60928(6) 0.0164(3) Uani 1 1 d . . . . .
C11A C 0.89053(9) 1.03405(11) 0.60399(8) 0.0309(4) Uani 1 1 d . . . . .
H11D H 0.854968 1.055214 0.590094 0.046 Uiso 1 1 calc R U . . .
H11E H 0.914234 1.047566 0.580574 0.046 Uiso 1 1 calc R U . . .
H11F H 0.904159 1.058108 0.637824 0.046 Uiso 1 1 calc R U . . .
C12A C 0.96452(7) 0.86349(10) 0.53070(6) 0.0174(3) Uani 1 1 d . . . . .
C13A C 0.99772(8) 0.88525(11) 0.49230(8) 0.0269(4) Uani 1 1 d . . . . .
H13D H 1.035345 0.882943 0.508854 0.040 Uiso 1 1 calc R U . . .
H13E H 0.988785 0.939979 0.479437 0.040 Uiso 1 1 calc R U . . .
H13F H 0.990730 0.847056 0.463518 0.040 Uiso 1 1 calc R U . . .
C14A C 0.79109(7) 0.65730(10) 0.44983(6) 0.0166(3) Uani 1 1 d . . . . .
H14A H 0.822219 0.665584 0.433128 0.020 Uiso 1 1 calc R U . . .
C15A C 0.80305(7) 0.58122(10) 0.48328(7) 0.0196(3) Uani 1 1 d . . . . .
H15C H 0.834814 0.590550 0.510666 0.023 Uiso 1 1 calc R U . . .
H15D H 0.772765 0.569479 0.499967 0.023 Uiso 1 1 calc R U . . .
C16A C 0.81273(7) 0.50922(11) 0.45044(8) 0.0261(4) Uani 1 1 d . . . . .
H16C H 0.845331 0.518743 0.436854 0.031 Uiso 1 1 calc R U . . .
H16D H 0.818331 0.460189 0.472182 0.031 Uiso 1 1 calc R U . . .
C17A C 0.76618(8) 0.49548(11) 0.40562(7) 0.0272(4) Uani 1 1 d . . . . .
H17C H 0.775103 0.451429 0.383623 0.033 Uiso 1 1 calc R U . . .
H17D H 0.734752 0.478490 0.419198 0.033 Uiso 1 1 calc R U . . .
C18A C 0.75271(8) 0.57134(12) 0.37325(7) 0.0291(4) Uani 1 1 d . . . . .
H18C H 0.720626 0.561368 0.346370 0.035 Uiso 1 1 calc R U . . .
H18D H 0.782313 0.584062 0.355819 0.035 Uiso 1 1 calc R U . . .
C19A C 0.74286(7) 0.64357(11) 0.40606(7) 0.0227(4) Uani 1 1 d . . . . .
H19C H 0.710978 0.633462 0.420702 0.027 Uiso 1 1 calc R U . . .
H19D H 0.736346 0.692460 0.384254 0.027 Uiso 1 1 calc R U . . .
C20A C 0.72505(6) 0.74026(10) 0.51229(6) 0.0156(3) Uani 1 1 d . . . . .
H20A H 0.716605 0.681558 0.514030 0.019 Uiso 1 1 calc R U . . .
C21A C 0.67695(6) 0.77890(11) 0.47685(6) 0.0203(3) Uani 1 1 d . . . . .
H21C H 0.682860 0.837649 0.474298 0.024 Uiso 1 1 calc R U . . .
H21D H 0.672524 0.755491 0.441899 0.024 Uiso 1 1 calc R U . . .
C22A C 0.62669(7) 0.76405(12) 0.49816(7) 0.0258(4) Uani 1 1 d . . . . .
H22C H 0.596167 0.790557 0.475528 0.031 Uiso 1 1 calc R U . . .
H22D H 0.619414 0.705391 0.498117 0.031 Uiso 1 1 calc R U . . .
C23A C 0.63232(7) 0.79660(11) 0.55273(7) 0.0221(4) Uani 1 1 d . . . . .
H23C H 0.599972 0.783567 0.565958 0.027 Uiso 1 1 calc R U . . .
H23D H 0.635993 0.856048 0.552337 0.027 Uiso 1 1 calc R U . . .
C24A C 0.68063(7) 0.76010(11) 0.58827(7) 0.0225(4) Uani 1 1 d . . . . .
H24C H 0.674733 0.701600 0.592156 0.027 Uiso 1 1 calc R U . . .
H24D H 0.684991 0.785269 0.622724 0.027 Uiso 1 1 calc R U . . .
C25A C 0.73143(7) 0.77258(11) 0.56744(6) 0.0197(3) Uani 1 1 d . . . . .
H25C H 0.761254 0.744389 0.589996 0.024 Uiso 1 1 calc R U . . .
H25D H 0.740023 0.830836 0.567868 0.024 Uiso 1 1 calc R U . . .
C26A C 0.78945(6) 0.83578(10) 0.45035(6) 0.0158(3) Uani 1 1 d . . . . .
H26A H 0.757652 0.836362 0.421585 0.019 Uiso 1 1 calc R U . . .
C27A C 0.78904(7) 0.91212(10) 0.48331(7) 0.0203(4) Uani 1 1 d . . . . .
H27C H 0.755269 0.914618 0.495706 0.024 Uiso 1 1 calc R U . . .
H27D H 0.818404 0.909083 0.513765 0.024 Uiso 1 1 calc R U . . .
C28A C 0.79511(7) 0.98886(11) 0.45289(8) 0.0254(4) Uani 1 1 d . . . . .
H28C H 0.764096 0.994598 0.424199 0.030 Uiso 1 1 calc R U . . .
H28D H 0.796084 1.036405 0.475655 0.030 Uiso 1 1 calc R U . . .
C29A C 0.84581(7) 0.98620(11) 0.43134(7) 0.0245(4) Uani 1 1 d . . . . .
H29C H 0.847931 1.035043 0.410360 0.029 Uiso 1 1 calc R U . . .
H29D H 0.877046 0.985724 0.460076 0.029 Uiso 1 1 calc R U . . .
C30A C 0.84649(7) 0.91123(11) 0.39825(7) 0.0231(4) Uani 1 1 d . . . . .
H30C H 0.880439 0.909170 0.386157 0.028 Uiso 1 1 calc R U . . .
H30D H 0.817391 0.914900 0.367599 0.028 Uiso 1 1 calc R U . . .
C31A C 0.84011(7) 0.83378(10) 0.42751(7) 0.0185(3) Uani 1 1 d . . . . .
H31C H 0.871462 0.826535 0.455674 0.022 Uiso 1 1 calc R U . . .
H31D H 0.838384 0.787152 0.403897 0.022 Uiso 1 1 calc R U . . .
C32A C 1.06341(6) 0.67063(10) 0.70352(6) 0.0168(3) Uani 1 1 d . . . . .
H32A H 1.093350 0.670042 0.734110 0.020 Uiso 1 1 calc R U . . .
C33A C 1.08646(7) 0.66863(11) 0.65442(7) 0.0229(4) Uani 1 1 d . . . . .
H33C H 1.057341 0.674424 0.623931 0.027 Uiso 1 1 calc R U . . .
H33D H 1.111048 0.714644 0.654712 0.027 Uiso 1 1 calc R U . . .
C34A C 1.11616(8) 0.58963(11) 0.65035(8) 0.0297(4) Uani 1 1 d . . . . .
H34C H 1.128859 0.588878 0.617507 0.036 Uiso 1 1 calc R U . . .
H34D H 1.147534 0.586654 0.678867 0.036 Uiso 1 1 calc R U . . .
C35A C 1.08088(9) 0.51657(12) 0.65267(8) 0.0339(5) Uani 1 1 d . . . . .
H35C H 1.101736 0.466588 0.651742 0.041 Uiso 1 1 calc R U . . .
H35D H 1.051355 0.516525 0.622273 0.041 Uiso 1 1 calc R U . . .
C36A C 1.05846(9) 0.51794(11) 0.70168(8) 0.0312(5) Uani 1 1 d . . . . .
H36C H 1.087856 0.512732 0.731967 0.037 Uiso 1 1 calc R U . . .
H36D H 1.034369 0.471355 0.701631 0.037 Uiso 1 1 calc R U . . .
C37A C 1.02816(7) 0.59596(10) 0.70598(7) 0.0236(4) Uani 1 1 d . . . . .
H37C H 1.015654 0.596242 0.738930 0.028 Uiso 1 1 calc R U . . .
H37D H 0.996649 0.598512 0.677588 0.028 Uiso 1 1 calc R U . . .
C38A C 1.00830(7) 0.77407(11) 0.76907(6) 0.0208(3) Uani 1 1 d . . . . .
H38A H 1.011295 0.833237 0.776478 0.025 Uiso 1 1 calc R U . . .
C39A C 1.04638(8) 0.73311(12) 0.81353(7) 0.0262(4) Uani 1 1 d . . . . .
H39C H 1.045515 0.674000 0.808048 0.031 Uiso 1 1 calc R U . . .
H39D H 1.083009 0.752066 0.814272 0.031 Uiso 1 1 calc R U . . .
C40A C 1.03101(9) 0.75216(13) 0.86488(7) 0.0350(5) Uani 1 1 d . . . . .
H40C H 1.054230 0.721248 0.892508 0.042 Uiso 1 1 calc R U . . .
H40D H 1.036969 0.810283 0.872532 0.042 Uiso 1 1 calc R U . . .
C41A C 0.97392(9) 0.73192(13) 0.86495(8) 0.0349(5) Uani 1 1 d . . . . .
H41C H 0.965208 0.749858 0.897880 0.042 Uiso 1 1 calc R U . . .
H41D H 0.969180 0.672673 0.862574 0.042 Uiso 1 1 calc R U . . .
C42A C 0.93596(9) 0.77156(13) 0.82063(8) 0.0332(5) Uani 1 1 d . . . . .
H42C H 0.936789 0.830761 0.825706 0.040 Uiso 1 1 calc R U . . .
H42D H 0.899407 0.752696 0.820387 0.040 Uiso 1 1 calc R U . . .
C43A C 0.95044(8) 0.75196(12) 0.76893(8) 0.0285(4) Uani 1 1 d . . . . .
H43C H 0.926797 0.782235 0.741271 0.034 Uiso 1 1 calc R U . . .
H43D H 0.945034 0.693631 0.761658 0.034 Uiso 1 1 calc R U . . .
C44A C 1.06277(6) 0.84980(10) 0.69489(7) 0.0170(3) Uani 1 1 d . . . . .
H44A H 1.075421 0.840133 0.662142 0.020 Uiso 1 1 calc R U . . .
C45A C 1.02676(7) 0.92441(10) 0.68606(7) 0.0212(4) Uani 1 1 d . . . . .
H45C H 0.996432 0.913824 0.657349 0.025 Uiso 1 1 calc R U . . .
H45D H 1.012504 0.935266 0.717392 0.025 Uiso 1 1 calc R U . . .
C46A C 1.05713(7) 0.99800(11) 0.67342(7) 0.0242(4) Uani 1 1 d . . . . .
H46C H 1.067678 0.989514 0.639910 0.029 Uiso 1 1 calc R U . . .
H46D H 1.033652 1.045838 0.670141 0.029 Uiso 1 1 calc R U . . .
C47A C 1.10640(7) 1.01392(11) 0.71463(7) 0.0239(4) Uani 1 1 d . . . . .
H47C H 1.095743 1.028511 0.747297 0.029 Uiso 1 1 calc R U . . .
H47D H 1.126265 1.059952 0.704036 0.029 Uiso 1 1 calc R U . . .
C48A C 1.14205(7) 0.93983(11) 0.72308(8) 0.0271(4) Uani 1 1 d . . . . .
H48C H 1.172856 0.950764 0.751239 0.033 Uiso 1 1 calc R U . . .
H48D H 1.155623 0.928682 0.691403 0.033 Uiso 1 1 calc R U . . .
C49A C 1.11223(7) 0.86549(11) 0.73683(7) 0.0236(4) Uani 1 1 d . . . . .
H49C H 1.101601 0.874329 0.770268 0.028 Uiso 1 1 calc R U . . .
H49D H 1.135850 0.817801 0.740261 0.028 Uiso 1 1 calc R U . . .
Cl11 Cl 0.29174(2) 0.30867(3) 0.20908(2) 0.02302(9) Uani 1 1 d . . . . .
O11 O 0.24235(5) 0.26920(9) 0.18761(5) 0.0285(3) Uani 1 1 d . . . . .
O12 O 0.31403(5) 0.27223(9) 0.25809(5) 0.0275(3) Uani 1 1 d . . . . .
O13 O 0.32829(6) 0.29988(12) 0.17464(6) 0.0475(4) Uani 1 1 d . . . . .
O14 O 0.28201(6) 0.39293(8) 0.21630(6) 0.0388(4) Uani 1 1 d . . . . .
Cl21 Cl 0.71825(2) 0.83058(3) 0.29683(2) 0.02100(8) Uani 1 1 d . . . . .
O21 O 0.69147(5) 0.79660(9) 0.24860(5) 0.0322(3) Uani 1 1 d . . . . .
O22 O 0.68350(6) 0.83003(10) 0.33324(6) 0.0421(4) Uani 1 1 d . . . . .
O23 O 0.76494(5) 0.78340(9) 0.31650(5) 0.0295(3) Uani 1 1 d . . . . .
O24 O 0.73341(6) 0.91245(8) 0.28877(6) 0.0345(3) Uani 1 1 d . . . . .
N1S N 0.55634(10) 0.39611(15) 0.55793(9) 0.0637(7) Uani 1 1 d . . . . .
C1S C 0.52351(10) 0.39200(13) 0.52218(9) 0.0383(5) Uani 1 1 d . . . . .
C2S C 0.48104(8) 0.38777(13) 0.47758(9) 0.0369(5) Uani 1 1 d . . . . .
H2SA H 0.491824 0.415202 0.448591 0.055 Uiso 1 1 calc R U . . .
H2SB H 0.449403 0.414105 0.485192 0.055 Uiso 1 1 calc R U . . .
H2SC H 0.473017 0.331135 0.468617 0.055 Uiso 1 1 calc R U . . .
N2S N 1.05764(9) 0.58973(13) 0.51473(9) 0.0523(6) Uani 1 1 d . . . . .
C3S C 1.01346(9) 0.60093(12) 0.49960(8) 0.0328(5) Uani 1 1 d . . . . .
C4S C 0.95729(9) 0.61481(13) 0.48044(8) 0.0335(5) Uani 1 1 d . . . . .
H4SA H 0.947091 0.593710 0.445314 0.050 Uiso 1 1 calc R U . . .
H4SB H 0.949996 0.672853 0.480344 0.050 Uiso 1 1 calc R U . . .
H4SC H 0.936833 0.587248 0.502727 0.050 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O4 2.2334(11) . ?
Dy1 O3 2.2415(12) . ?
Dy1 O1 2.2813(11) . ?
Dy1 O2 2.2819(11) . ?
Dy1 N4 2.4446(14) . ?
Dy1 N2 2.4561(13) . ?
Dy1 N3 2.4584(13) . ?
P1 O3 1.5173(12) . ?
P1 C26 1.8134(17) . ?
P1 C14 1.8171(17) . ?
P1 C20 1.8281(17) . ?
P2 O4 1.5181(12) . ?
P2 C32 1.8114(16) . ?
P2 C44 1.8164(17) . ?
P2 C38 1.8334(17) . ?
O1 C1 1.287(2) . ?
O2 C12 1.291(2) . ?
N1 C1 1.327(2) . ?
N1 N2 1.3912(18) . ?
N2 C3 1.291(2) . ?
N3 C9 1.348(2) . ?
N3 C5 1.351(2) . ?
N4 C10 1.293(2) . ?
N4 N5 1.3974(18) . ?
N5 C12 1.319(2) . ?
C1 C2 1.501(2) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C5 1.489(2) . ?
C3 C4 1.493(2) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.395(2) . ?
C6 C7 1.386(2) . ?
C6 H6 0.9500 . ?
C7 C8 1.390(2) . ?
C7 H7 0.9500 . ?
C8 C9 1.395(2) . ?
C8 H8 0.9500 . ?
C9 C10 1.494(2) . ?
C10 C11 1.491(2) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.500(2) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C19 1.532(2) . ?
C14 C15 1.534(2) . ?
C14 H14 1.0000 . ?
C15 C16 1.529(2) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.520(2) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.525(3) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.527(2) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C21 1.530(2) . ?
C20 C25 1.532(2) . ?
C20 H20 1.0000 . ?
C21 C22 1.529(3) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.514(3) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.522(3) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.527(2) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.543(2) . ?
C26 C31 1.543(2) . ?
C26 H26 1.0000 . ?
C27 C28 1.532(3) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.519(3) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.520(3) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.529(2) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C37 1.541(2) . ?
C32 C33 1.541(2) . ?
C32 H32 1.0000 . ?
C33 C34 1.527(2) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.525(2) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.524(2) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.528(2) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.527(2) . ?
C38 C43 1.534(2) . ?
C38 H38 1.0000 . ?
C39 C40 1.532(2) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 C41 1.525(3) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 C42 1.521(3) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C43 1.526(3) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.537(2) . ?
C44 C49 1.537(2) . ?
C44 H44 1.0000 . ?
C45 C46 1.528(2) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 C47 1.526(2) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C48 1.525(3) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 C49 1.531(2) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
Dy2 O4A 2.2331(11) . ?
Dy2 O3A 2.2458(11) . ?
Dy2 O2A 2.2750(11) . ?
Dy2 O1A 2.2770(11) . ?
Dy2 N2A 2.4437(14) . ?
Dy2 N3A 2.4560(13) . ?
Dy2 N4A 2.4588(14) . ?
P1A O3A 1.5180(12) . ?
P1A C14A 1.8142(17) . ?
P1A C26A 1.8172(16) . ?
P1A C20A 1.8316(16) . ?
P2A O4A 1.5164(12) . ?
P2A C32A 1.8127(17) . ?
P2A C44A 1.8197(17) . ?
P2A C38A 1.8231(17) . ?
O1A C1A 1.2939(19) . ?
O2A C12A 1.285(2) . ?
N1A C1A 1.319(2) . ?
N1A N2A 1.3929(18) . ?
N2A C3A 1.291(2) . ?
N3A C5A 1.346(2) . ?
N3A C9A 1.352(2) . ?
N4A C10A 1.298(2) . ?
N4A N5A 1.3930(19) . ?
N5A C12A 1.326(2) . ?
C1A C2A 1.497(2) . ?
C2A H2AA 0.9800 . ?
C2A H2AB 0.9800 . ?
C2A H2AC 0.9800 . ?
C3A C5A 1.494(2) . ?
C3A C4A 1.494(2) . ?
C4A H4AA 0.9800 . ?
C4A H4AB 0.9800 . ?
C4A H4AC 0.9800 . ?
C5A C6A 1.397(2) . ?
C6A C7A 1.386(2) . ?
C6A H6A 0.9500 . ?
C7A C8A 1.386(2) . ?
C7A H7A 0.9500 . ?
C8A C9A 1.395(2) . ?
C8A H8A 0.9500 . ?
C9A C10A 1.484(2) . ?
C10A C11A 1.496(2) . ?
C11A H11D 0.9800 . ?
C11A H11E 0.9800 . ?
C11A H11F 0.9800 . ?
C12A C13A 1.499(2) . ?
C13A H13D 0.9800 . ?
C13A H13E 0.9800 . ?
C13A H13F 0.9800 . ?
C14A C19A 1.536(2) . ?
C14A C15A 1.537(2) . ?
C14A H14A 1.0000 . ?
C15A C16A 1.527(2) . ?
C15A H15C 0.9900 . ?
C15A H15D 0.9900 . ?
C16A C17A 1.525(2) . ?
C16A H16C 0.9900 . ?
C16A H16D 0.9900 . ?
C17A C18A 1.523(3) . ?
C17A H17C 0.9900 . ?
C17A H17D 0.9900 . ?
C18A C19A 1.531(2) . ?
C18A H18C 0.9900 . ?
C18A H18D 0.9900 . ?
C19A H19C 0.9900 . ?
C19A H19D 0.9900 . ?
C20A C25A 1.535(2) . ?
C20A C21A 1.535(2) . ?
C20A H20A 1.0000 . ?
C21A C22A 1.532(2) . ?
C21A H21C 0.9900 . ?
C21A H21D 0.9900 . ?
C22A C23A 1.524(3) . ?
C22A H22C 0.9900 . ?
C22A H22D 0.9900 . ?
C23A C24A 1.526(2) . ?
C23A H23C 0.9900 . ?
C23A H23D 0.9900 . ?
C24A C25A 1.532(2) . ?
C24A H24C 0.9900 . ?
C24A H24D 0.9900 . ?
C25A H25C 0.9900 . ?
C25A H25D 0.9900 . ?
C26A C27A 1.539(2) . ?
C26A C31A 1.545(2) . ?
C26A H26A 1.0000 . ?
C27A C28A 1.531(2) . ?
C27A H27C 0.9900 . ?
C27A H27D 0.9900 . ?
C28A C29A 1.527(2) . ?
C28A H28C 0.9900 . ?
C28A H28D 0.9900 . ?
C29A C30A 1.523(3) . ?
C29A H29C 0.9900 . ?
C29A H29D 0.9900 . ?
C30A C31A 1.526(2) . ?
C30A H30C 0.9900 . ?
C30A H30D 0.9900 . ?
C31A H31C 0.9900 . ?
C31A H31D 0.9900 . ?
C32A C33A 1.536(2) . ?
C32A C37A 1.544(2) . ?
C32A H32A 1.0000 . ?
C33A C34A 1.531(2) . ?
C33A H33C 0.9900 . ?
C33A H33D 0.9900 . ?
C34A C35A 1.522(3) . ?
C34A H34C 0.9900 . ?
C34A H34D 0.9900 . ?
C35A C36A 1.525(3) . ?
C35A H35C 0.9900 . ?
C35A H35D 0.9900 . ?
C36A C37A 1.526(3) . ?
C36A H36C 0.9900 . ?
C36A H36D 0.9900 . ?
C37A H37C 0.9900 . ?
C37A H37D 0.9900 . ?
C38A C39A 1.532(2) . ?
C38A C43A 1.533(3) . ?
C38A H38A 1.0000 . ?
C39A C40A 1.526(3) . ?
C39A H39C 0.9900 . ?
C39A H39D 0.9900 . ?
C40A C41A 1.507(3) . ?
C40A H40C 0.9900 . ?
C40A H40D 0.9900 . ?
C41A C42A 1.518(3) . ?
C41A H41C 0.9900 . ?
C41A H41D 0.9900 . ?
C42A C43A 1.527(3) . ?
C42A H42C 0.9900 . ?
C42A H42D 0.9900 . ?
C43A H43C 0.9900 . ?
C43A H43D 0.9900 . ?
C44A C49A 1.534(2) . ?
C44A C45A 1.535(2) . ?
C44A H44A 1.0000 . ?
C45A C46A 1.522(2) . ?
C45A H45C 0.9900 . ?
C45A H45D 0.9900 . ?
C46A C47A 1.521(2) . ?
C46A H46C 0.9900 . ?
C46A H46D 0.9900 . ?
C47A C48A 1.522(3) . ?
C47A H47C 0.9900 . ?
C47A H47D 0.9900 . ?
C48A C49A 1.534(2) . ?
C48A H48C 0.9900 . ?
C48A H48D 0.9900 . ?
C49A H49C 0.9900 . ?
C49A H49D 0.9900 . ?
Cl11 O14 1.4383(15) . ?
Cl11 O11 1.4407(14) . ?
Cl11 O12 1.4430(13) . ?
Cl11 O13 1.4443(14) . ?
Cl21 O24 1.4398(14) . ?
Cl21 O21 1.4396(14) . ?
Cl21 O23 1.4404(13) . ?
Cl21 O22 1.4422(14) . ?
N1S C1S 1.138(3) . ?
C1S C2S 1.441(3) . ?
C2S H2SA 0.9800 . ?
C2S H2SB 0.9800 . ?
C2S H2SC 0.9800 . ?
N2S C3S 1.142(3) . ?
C3S C4S 1.451(3) . ?
C4S H4SA 0.9800 . ?
C4S H4SB 0.9800 . ?
C4S H4SC 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O4 Dy1 O3 170.91(4) . . ?
O4 Dy1 O1 93.73(4) . . ?
O3 Dy1 O1 93.38(4) . . ?
O4 Dy1 O2 92.41(4) . . ?
O3 Dy1 O2 91.98(4) . . ?
O1 Dy1 O2 99.62(4) . . ?
O4 Dy1 N4 88.66(4) . . ?
O3 Dy1 N4 85.94(4) . . ?
O1 Dy1 N4 164.98(4) . . ?
O2 Dy1 N4 65.43(4) . . ?
O4 Dy1 N2 88.18(4) . . ?
O3 Dy1 N2 89.68(4) . . ?
O1 Dy1 N2 65.04(4) . . ?
O2 Dy1 N2 164.65(4) . . ?
N4 Dy1 N2 129.91(4) . . ?
O4 Dy1 N3 87.51(4) . . ?
O3 Dy1 N3 83.59(4) . . ?
O1 Dy1 N3 129.77(4) . . ?
O2 Dy1 N3 130.53(4) . . ?
N4 Dy1 N3 65.11(4) . . ?
N2 Dy1 N3 64.82(4) . . ?
O3 P1 C26 109.70(7) . . ?
O3 P1 C14 108.88(7) . . ?
C26 P1 C14 109.45(8) . . ?
O3 P1 C20 110.06(7) . . ?
C26 P1 C20 111.88(8) . . ?
C14 P1 C20 106.80(8) . . ?
O4 P2 C32 110.00(7) . . ?
O4 P2 C44 109.50(7) . . ?
C32 P2 C44 109.16(8) . . ?
O4 P2 C38 110.68(7) . . ?
C32 P2 C38 110.36(8) . . ?
C44 P2 C38 107.08(8) . . ?
C1 O1 Dy1 120.67(10) . . ?
C12 O2 Dy1 120.25(10) . . ?
P1 O3 Dy1 171.65(8) . . ?
P2 O4 Dy1 176.81(7) . . ?
C1 N1 N2 109.06(13) . . ?
C3 N2 N1 117.77(14) . . ?
C3 N2 Dy1 123.50(11) . . ?
N1 N2 Dy1 118.72(9) . . ?
C9 N3 C5 119.52(14) . . ?
C9 N3 Dy1 120.10(10) . . ?
C5 N3 Dy1 120.23(10) . . ?
C10 N4 N5 117.75(14) . . ?
C10 N4 Dy1 123.45(11) . . ?
N5 N4 Dy1 118.79(10) . . ?
C12 N5 N4 109.09(13) . . ?
O1 C1 N1 125.92(15) . . ?
O1 C1 C2 117.82(15) . . ?
N1 C1 C2 116.26(15) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N2 C3 C5 114.94(14) . . ?
N2 C3 C4 124.42(16) . . ?
C5 C3 C4 120.64(15) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N3 C5 C6 121.48(15) . . ?
N3 C5 C3 116.35(14) . . ?
C6 C5 C3 122.18(15) . . ?
C7 C6 C5 118.65(16) . . ?
C7 C6 H6 120.7 . . ?
C5 C6 H6 120.7 . . ?
C6 C7 C8 120.22(16) . . ?
C6 C7 H7 119.9 . . ?
C8 C7 H7 119.9 . . ?
C7 C8 C9 118.04(16) . . ?
C7 C8 H8 121.0 . . ?
C9 C8 H8 121.0 . . ?
N3 C9 C8 122.09(15) . . ?
N3 C9 C10 116.24(14) . . ?
C8 C9 C10 121.66(15) . . ?
N4 C10 C11 125.25(15) . . ?
N4 C10 C9 115.04(14) . . ?
C11 C10 C9 119.69(14) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O2 C12 N5 126.41(15) . . ?
O2 C12 C13 117.51(15) . . ?
N5 C12 C13 116.07(15) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C19 C14 C15 110.94(14) . . ?
C19 C14 P1 114.93(12) . . ?
C15 C14 P1 110.56(11) . . ?
C19 C14 H14 106.6 . . ?
C15 C14 H14 106.6 . . ?
P1 C14 H14 106.6 . . ?
C16 C15 C14 110.80(14) . . ?
C16 C15 H15A 109.5 . . ?
C14 C15 H15A 109.5 . . ?
C16 C15 H15B 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 108.1 . . ?
C17 C16 C15 112.05(15) . . ?
C17 C16 H16A 109.2 . . ?
C15 C16 H16A 109.2 . . ?
C17 C16 H16B 109.2 . . ?
C15 C16 H16B 109.2 . . ?
H16A C16 H16B 107.9 . . ?
C16 C17 C18 111.34(15) . . ?
C16 C17 H17A 109.4 . . ?
C18 C17 H17A 109.4 . . ?
C16 C17 H17B 109.4 . . ?
C18 C17 H17B 109.4 . . ?
H17A C17 H17B 108.0 . . ?
C17 C18 C19 111.12(15) . . ?
C17 C18 H18A 109.4 . . ?
C19 C18 H18A 109.4 . . ?
C17 C18 H18B 109.4 . . ?
C19 C18 H18B 109.4 . . ?
H18A C18 H18B 108.0 . . ?
C18 C19 C14 110.37(15) . . ?
C18 C19 H19A 109.6 . . ?
C14 C19 H19A 109.6 . . ?
C18 C19 H19B 109.6 . . ?
C14 C19 H19B 109.6 . . ?
H19A C19 H19B 108.1 . . ?
C21 C20 C25 110.72(14) . . ?
C21 C20 P1 116.66(12) . . ?
C25 C20 P1 112.12(12) . . ?
C21 C20 H20 105.4 . . ?
C25 C20 H20 105.4 . . ?
P1 C20 H20 105.4 . . ?
C22 C21 C20 109.68(15) . . ?
C22 C21 H21A 109.7 . . ?
C20 C21 H21A 109.7 . . ?
C22 C21 H21B 109.7 . . ?
C20 C21 H21B 109.7 . . ?
H21A C21 H21B 108.2 . . ?
C23 C22 C21 111.63(16) . . ?
C23 C22 H22A 109.3 . . ?
C21 C22 H22A 109.3 . . ?
C23 C22 H22B 109.3 . . ?
C21 C22 H22B 109.3 . . ?
H22A C22 H22B 108.0 . . ?
C22 C23 C24 111.75(16) . . ?
C22 C23 H23A 109.3 . . ?
C24 C23 H23A 109.3 . . ?
C22 C23 H23B 109.3 . . ?
C24 C23 H23B 109.3 . . ?
H23A C23 H23B 107.9 . . ?
C23 C24 C25 111.06(16) . . ?
C23 C24 H24A 109.4 . . ?
C25 C24 H24A 109.4 . . ?
C23 C24 H24B 109.4 . . ?
C25 C24 H24B 109.4 . . ?
H24A C24 H24B 108.0 . . ?
C24 C25 C20 111.02(15) . . ?
C24 C25 H25A 109.4 . . ?
C20 C25 H25A 109.4 . . ?
C24 C25 H25B 109.4 . . ?
C20 C25 H25B 109.4 . . ?
H25A C25 H25B 108.0 . . ?
C27 C26 C31 110.33(14) . . ?
C27 C26 P1 110.64(12) . . ?
C31 C26 P1 109.24(12) . . ?
C27 C26 H26 108.9 . . ?
C31 C26 H26 108.9 . . ?
P1 C26 H26 108.9 . . ?
C28 C27 C26 110.68(15) . . ?
C28 C27 H27A 109.5 . . ?
C26 C27 H27A 109.5 . . ?
C28 C27 H27B 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 108.1 . . ?
C29 C28 C27 111.64(17) . . ?
C29 C28 H28A 109.3 . . ?
C27 C28 H28A 109.3 . . ?
C29 C28 H28B 109.3 . . ?
C27 C28 H28B 109.3 . . ?
H28A C28 H28B 108.0 . . ?
C28 C29 C30 110.59(17) . . ?
C28 C29 H29A 109.5 . . ?
C30 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C30 C29 H29B 109.5 . . ?
H29A C29 H29B 108.1 . . ?
C29 C30 C31 112.02(15) . . ?
C29 C30 H30A 109.2 . . ?
C31 C30 H30A 109.2 . . ?
C29 C30 H30B 109.2 . . ?
C31 C30 H30B 109.2 . . ?
H30A C30 H30B 107.9 . . ?
C30 C31 C26 111.80(15) . . ?
C30 C31 H31A 109.3 . . ?
C26 C31 H31A 109.3 . . ?
C30 C31 H31B 109.3 . . ?
C26 C31 H31B 109.3 . . ?
H31A C31 H31B 107.9 . . ?
C37 C32 C33 109.75(14) . . ?
C37 C32 P2 110.41(11) . . ?
C33 C32 P2 111.00(11) . . ?
C37 C32 H32 108.5 . . ?
C33 C32 H32 108.5 . . ?
P2 C32 H32 108.5 . . ?
C34 C33 C32 110.90(14) . . ?
C34 C33 H33A 109.5 . . ?
C32 C33 H33A 109.5 . . ?
C34 C33 H33B 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 108.0 . . ?
C35 C34 C33 112.54(15) . . ?
C35 C34 H34A 109.1 . . ?
C33 C34 H34A 109.1 . . ?
C35 C34 H34B 109.1 . . ?
C33 C34 H34B 109.1 . . ?
H34A C34 H34B 107.8 . . ?
C36 C35 C34 110.23(15) . . ?
C36 C35 H35A 109.6 . . ?
C34 C35 H35A 109.6 . . ?
C36 C35 H35B 109.6 . . ?
C34 C35 H35B 109.6 . . ?
H35A C35 H35B 108.1 . . ?
C35 C36 C37 110.88(15) . . ?
C35 C36 H36A 109.5 . . ?
C37 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C37 C36 H36B 109.5 . . ?
H36A C36 H36B 108.1 . . ?
C36 C37 C32 111.11(14) . . ?
C36 C37 H37A 109.4 . . ?
C32 C37 H37A 109.4 . . ?
C36 C37 H37B 109.4 . . ?
C32 C37 H37B 109.4 . . ?
H37A C37 H37B 108.0 . . ?
C39 C38 C43 111.01(15) . . ?
C39 C38 P2 111.69(12) . . ?
C43 C38 P2 115.07(12) . . ?
C39 C38 H38 106.1 . . ?
C43 C38 H38 106.1 . . ?
P2 C38 H38 106.1 . . ?
C38 C39 C40 110.71(16) . . ?
C38 C39 H39A 109.5 . . ?
C40 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
C40 C39 H39B 109.5 . . ?
H39A C39 H39B 108.1 . . ?
C41 C40 C39 111.62(16) . . ?
C41 C40 H40A 109.3 . . ?
C39 C40 H40A 109.3 . . ?
C41 C40 H40B 109.3 . . ?
C39 C40 H40B 109.3 . . ?
H40A C40 H40B 108.0 . . ?
C42 C41 C40 111.57(16) . . ?
C42 C41 H41A 109.3 . . ?
C40 C41 H41A 109.3 . . ?
C42 C41 H41B 109.3 . . ?
C40 C41 H41B 109.3 . . ?
H41A C41 H41B 108.0 . . ?
C41 C42 C43 111.78(16) . . ?
C41 C42 H42A 109.3 . . ?
C43 C42 H42A 109.3 . . ?
C41 C42 H42B 109.3 . . ?
C43 C42 H42B 109.3 . . ?
H42A C42 H42B 107.9 . . ?
C42 C43 C38 110.67(15) . . ?
C42 C43 H43A 109.5 . . ?
C38 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
C38 C43 H43B 109.5 . . ?
H43A C43 H43B 108.1 . . ?
C45 C44 C49 110.81(14) . . ?
C45 C44 P2 111.15(11) . . ?
C49 C44 P2 113.85(12) . . ?
C45 C44 H44 106.9 . . ?
C49 C44 H44 106.9 . . ?
P2 C44 H44 106.9 . . ?
C46 C45 C44 110.30(14) . . ?
C46 C45 H45A 109.6 . . ?
C44 C45 H45A 109.6 . . ?
C46 C45 H45B 109.6 . . ?
C44 C45 H45B 109.6 . . ?
H45A C45 H45B 108.1 . . ?
C47 C46 C45 112.05(15) . . ?
C47 C46 H46A 109.2 . . ?
C45 C46 H46A 109.2 . . ?
C47 C46 H46B 109.2 . . ?
C45 C46 H46B 109.2 . . ?
H46A C46 H46B 107.9 . . ?
C48 C47 C46 110.85(15) . . ?
C48 C47 H47A 109.5 . . ?
C46 C47 H47A 109.5 . . ?
C48 C47 H47B 109.5 . . ?
C46 C47 H47B 109.5 . . ?
H47A C47 H47B 108.1 . . ?
C47 C48 C49 111.23(15) . . ?
C47 C48 H48A 109.4 . . ?
C49 C48 H48A 109.4 . . ?
C47 C48 H48B 109.4 . . ?
C49 C48 H48B 109.4 . . ?
H48A C48 H48B 108.0 . . ?
C48 C49 C44 110.16(15) . . ?
C48 C49 H49A 109.6 . . ?
C44 C49 H49A 109.6 . . ?
C48 C49 H49B 109.6 . . ?
C44 C49 H49B 109.6 . . ?
H49A C49 H49B 108.1 . . ?
O4A Dy2 O3A 171.49(4) . . ?
O4A Dy2 O2A 93.08(4) . . ?
O3A Dy2 O2A 92.34(4) . . ?
O4A Dy2 O1A 93.59(4) . . ?
O3A Dy2 O1A 92.00(4) . . ?
O2A Dy2 O1A 99.40(4) . . ?
O4A Dy2 N2A 89.14(4) . . ?
O3A Dy2 N2A 87.34(4) . . ?
O2A Dy2 N2A 164.76(4) . . ?
O1A Dy2 N2A 65.40(4) . . ?
O4A Dy2 N3A 85.56(4) . . ?
O3A Dy2 N3A 85.93(4) . . ?
O2A Dy2 N3A 129.95(4) . . ?
O1A Dy2 N3A 130.64(4) . . ?
N2A Dy2 N3A 65.24(5) . . ?
O4A Dy2 N4A 88.14(4) . . ?
O3A Dy2 N4A 88.22(4) . . ?
O2A Dy2 N4A 64.97(4) . . ?
O1A Dy2 N4A 164.36(5) . . ?
N2A Dy2 N4A 130.21(5) . . ?
N3A Dy2 N4A 64.98(5) . . ?
O3A P1A C14A 109.08(7) . . ?
O3A P1A C26A 109.74(7) . . ?
C14A P1A C26A 109.10(8) . . ?
O3A P1A C20A 110.22(7) . . ?
C14A P1A C20A 107.60(8) . . ?
C26A P1A C20A 111.05(8) . . ?
O4A P2A C32A 109.89(7) . . ?
O4A P2A C44A 108.59(7) . . ?
C32A P2A C44A 110.15(8) . . ?
O4A P2A C38A 110.75(8) . . ?
C32A P2A C38A 110.88(8) . . ?
C44A P2A C38A 106.51(8) . . ?
C1A O1A Dy2 120.43(10) . . ?
C12A O2A Dy2 121.39(10) . . ?
P1A O3A Dy2 175.00(7) . . ?
P2A O4A Dy2 172.08(8) . . ?
C1A N1A N2A 109.33(13) . . ?
C3A N2A N1A 117.98(14) . . ?
C3A N2A Dy2 123.21(11) . . ?
N1A N2A Dy2 118.79(10) . . ?
C5A N3A C9A 119.78(14) . . ?
C5A N3A Dy2 120.00(10) . . ?
C9A N3A Dy2 120.22(11) . . ?
C10A N4A N5A 118.13(14) . . ?
C10A N4A Dy2 123.06(11) . . ?
N5A N4A Dy2 118.80(10) . . ?
C12A N5A N4A 109.03(13) . . ?
O1A C1A N1A 126.00(15) . . ?
O1A C1A C2A 117.38(15) . . ?
N1A C1A C2A 116.62(15) . . ?
C1A C2A H2AA 109.5 . . ?
C1A C2A H2AB 109.5 . . ?
H2AA C2A H2AB 109.5 . . ?
C1A C2A H2AC 109.5 . . ?
H2AA C2A H2AC 109.5 . . ?
H2AB C2A H2AC 109.5 . . ?
N2A C3A C5A 115.24(14) . . ?
N2A C3A C4A 125.05(15) . . ?
C5A C3A C4A 119.70(14) . . ?
C3A C4A H4AA 109.5 . . ?
C3A C4A H4AB 109.5 . . ?
H4AA C4A H4AB 109.5 . . ?
C3A C4A H4AC 109.5 . . ?
H4AA C4A H4AC 109.5 . . ?
H4AB C4A H4AC 109.5 . . ?
N3A C5A C6A 121.86(15) . . ?
N3A C5A C3A 116.30(14) . . ?
C6A C5A C3A 121.82(15) . . ?
C7A C6A C5A 118.23(16) . . ?
C7A C6A H6A 120.9 . . ?
C5A C6A H6A 120.9 . . ?
C6A C7A C8A 120.12(16) . . ?
C6A C7A H7A 119.9 . . ?
C8A C7A H7A 119.9 . . ?
C7A C8A C9A 118.87(16) . . ?
C7A C8A H8A 120.6 . . ?
C9A C8A H8A 120.6 . . ?
N3A C9A C8A 121.14(16) . . ?
N3A C9A C10A 116.58(14) . . ?
C8A C9A C10A 122.28(15) . . ?
N4A C10A C9A 115.14(14) . . ?
N4A C10A C11A 124.12(16) . . ?
C9A C10A C11A 120.74(15) . . ?
C10A C11A H11D 109.5 . . ?
C10A C11A H11E 109.5 . . ?
H11D C11A H11E 109.5 . . ?
C10A C11A H11F 109.5 . . ?
H11D C11A H11F 109.5 . . ?
H11E C11A H11F 109.5 . . ?
O2A C12A N5A 125.80(16) . . ?
O2A C12A C13A 117.71(15) . . ?
N5A C12A C13A 116.48(15) . . ?
C12A C13A H13D 109.5 . . ?
C12A C13A H13E 109.5 . . ?
H13D C13A H13E 109.5 . . ?
C12A C13A H13F 109.5 . . ?
H13D C13A H13F 109.5 . . ?
H13E C13A H13F 109.5 . . ?
C19A C14A C15A 110.61(14) . . ?
C19A C14A P1A 115.22(12) . . ?
C15A C14A P1A 111.11(11) . . ?
C19A C14A H14A 106.4 . . ?
C15A C14A H14A 106.4 . . ?
P1A C14A H14A 106.4 . . ?
C16A C15A C14A 110.41(15) . . ?
C16A C15A H15C 109.6 . . ?
C14A C15A H15C 109.6 . . ?
C16A C15A H15D 109.6 . . ?
C14A C15A H15D 109.6 . . ?
H15C C15A H15D 108.1 . . ?
C17A C16A C15A 111.61(15) . . ?
C17A C16A H16C 109.3 . . ?
C15A C16A H16C 109.3 . . ?
C17A C16A H16D 109.3 . . ?
C15A C16A H16D 109.3 . . ?
H16C C16A H16D 108.0 . . ?
C18A C17A C16A 111.70(16) . . ?
C18A C17A H17C 109.3 . . ?
C16A C17A H17C 109.3 . . ?
C18A C17A H17D 109.3 . . ?
C16A C17A H17D 109.3 . . ?
H17C C17A H17D 107.9 . . ?
C17A C18A C19A 111.73(15) . . ?
C17A C18A H18C 109.3 . . ?
C19A C18A H18C 109.3 . . ?
C17A C18A H18D 109.3 . . ?
C19A C18A H18D 109.3 . . ?
H18C C18A H18D 107.9 . . ?
C18A C19A C14A 110.13(15) . . ?
C18A C19A H19C 109.6 . . ?
C14A C19A H19C 109.6 . . ?
C18A C19A H19D 109.6 . . ?
C14A C19A H19D 109.6 . . ?
H19C C19A H19D 108.1 . . ?
C25A C20A C21A 110.85(14) . . ?
C25A C20A P1A 111.63(11) . . ?
C21A C20A P1A 115.22(11) . . ?
C25A C20A H20A 106.2 . . ?
C21A C20A H20A 106.2 . . ?
P1A C20A H20A 106.2 . . ?
C22A C21A C20A 110.11(14) . . ?
C22A C21A H21C 109.6 . . ?
C20A C21A H21C 109.6 . . ?
C22A C21A H21D 109.6 . . ?
C20A C21A H21D 109.6 . . ?
H21C C21A H21D 108.2 . . ?
C23A C22A C21A 111.57(15) . . ?
C23A C22A H22C 109.3 . . ?
C21A C22A H22C 109.3 . . ?
C23A C22A H22D 109.3 . . ?
C21A C22A H22D 109.3 . . ?
H22C C22A H22D 108.0 . . ?
C22A C23A C24A 110.85(15) . . ?
C22A C23A H23C 109.5 . . ?
C24A C23A H23C 109.5 . . ?
C22A C23A H23D 109.5 . . ?
C24A C23A H23D 109.5 . . ?
H23C C23A H23D 108.1 . . ?
C23A C24A C25A 111.85(14) . . ?
C23A C24A H24C 109.2 . . ?
C25A C24A H24C 109.2 . . ?
C23A C24A H24D 109.2 . . ?
C25A C24A H24D 109.2 . . ?
H24C C24A H24D 107.9 . . ?
C24A C25A C20A 111.16(14) . . ?
C24A C25A H25C 109.4 . . ?
C20A C25A H25C 109.4 . . ?
C24A C25A H25D 109.4 . . ?
C20A C25A H25D 109.4 . . ?
H25C C25A H25D 108.0 . . ?
C27A C26A C31A 110.07(14) . . ?
C27A C26A P1A 110.37(11) . . ?
C31A C26A P1A 109.13(11) . . ?
C27A C26A H26A 109.1 . . ?
C31A C26A H26A 109.1 . . ?
P1A C26A H26A 109.1 . . ?
C28A C27A C26A 111.76(14) . . ?
C28A C27A H27C 109.3 . . ?
C26A C27A H27C 109.3 . . ?
C28A C27A H27D 109.3 . . ?
C26A C27A H27D 109.3 . . ?
H27C C27A H27D 107.9 . . ?
C29A C28A C27A 111.04(15) . . ?
C29A C28A H28C 109.4 . . ?
C27A C28A H28C 109.4 . . ?
C29A C28A H28D 109.4 . . ?
C27A C28A H28D 109.4 . . ?
H28C C28A H28D 108.0 . . ?
C30A C29A C28A 110.43(15) . . ?
C30A C29A H29C 109.6 . . ?
C28A C29A H29C 109.6 . . ?
C30A C29A H29D 109.6 . . ?
C28A C29A H29D 109.6 . . ?
H29C C29A H29D 108.1 . . ?
C29A C30A C31A 112.24(15) . . ?
C29A C30A H30C 109.2 . . ?
C31A C30A H30C 109.2 . . ?
C29A C30A H30D 109.2 . . ?
C31A C30A H30D 109.2 . . ?
H30C C30A H30D 107.9 . . ?
C30A C31A C26A 111.54(14) . . ?
C30A C31A H31C 109.3 . . ?
C26A C31A H31C 109.3 . . ?
C30A C31A H31D 109.3 . . ?
C26A C31A H31D 109.3 . . ?
H31C C31A H31D 108.0 . . ?
C33A C32A C37A 110.44(14) . . ?
C33A C32A P2A 110.79(12) . . ?
C37A C32A P2A 109.34(12) . . ?
C33A C32A H32A 108.7 . . ?
C37A C32A H32A 108.7 . . ?
P2A C32A H32A 108.7 . . ?
C34A C33A C32A 111.21(15) . . ?
C34A C33A H33C 109.4 . . ?
C32A C33A H33C 109.4 . . ?
C34A C33A H33D 109.4 . . ?
C32A C33A H33D 109.4 . . ?
H33C C33A H33D 108.0 . . ?
C35A C34A C33A 111.54(16) . . ?
C35A C34A H34C 109.3 . . ?
C33A C34A H34C 109.3 . . ?
C35A C34A H34D 109.3 . . ?
C33A C34A H34D 109.3 . . ?
H34C C34A H34D 108.0 . . ?
C34A C35A C36A 110.72(17) . . ?
C34A C35A H35C 109.5 . . ?
C36A C35A H35C 109.5 . . ?
C34A C35A H35D 109.5 . . ?
C36A C35A H35D 109.5 . . ?
H35C C35A H35D 108.1 . . ?
C35A C36A C37A 111.30(16) . . ?
C35A C36A H36C 109.4 . . ?
C37A C36A H36C 109.4 . . ?
C35A C36A H36D 109.4 . . ?
C37A C36A H36D 109.4 . . ?
H36C C36A H36D 108.0 . . ?
C36A C37A C32A 111.26(15) . . ?
C36A C37A H37C 109.4 . . ?
C32A C37A H37C 109.4 . . ?
C36A C37A H37D 109.4 . . ?
C32A C37A H37D 109.4 . . ?
H37C C37A H37D 108.0 . . ?
C39A C38A C43A 111.50(15) . . ?
C39A C38A P2A 115.31(13) . . ?
C43A C38A P2A 111.94(12) . . ?
C39A C38A H38A 105.7 . . ?
C43A C38A H38A 105.7 . . ?
P2A C38A H38A 105.7 . . ?
C40A C39A C38A 110.77(17) . . ?
C40A C39A H39C 109.5 . . ?
C38A C39A H39C 109.5 . . ?
C40A C39A H39D 109.5 . . ?
C38A C39A H39D 109.5 . . ?
H39C C39A H39D 108.1 . . ?
C41A C40A C39A 112.53(17) . . ?
C41A C40A H40C 109.1 . . ?
C39A C40A H40C 109.1 . . ?
C41A C40A H40D 109.1 . . ?
C39A C40A H40D 109.1 . . ?
H40C C40A H40D 107.8 . . ?
C40A C41A C42A 112.21(17) . . ?
C40A C41A H41C 109.2 . . ?
C42A C41A H41C 109.2 . . ?
C40A C41A H41D 109.2 . . ?
C42A C41A H41D 109.2 . . ?
H41C C41A H41D 107.9 . . ?
C41A C42A C43A 111.57(17) . . ?
C41A C42A H42C 109.3 . . ?
C43A C42A H42C 109.3 . . ?
C41A C42A H42D 109.3 . . ?
C43A C42A H42D 109.3 . . ?
H42C C42A H42D 108.0 . . ?
C42A C43A C38A 111.09(17) . . ?
C42A C43A H43C 109.4 . . ?
C38A C43A H43C 109.4 . . ?
C42A C43A H43D 109.4 . . ?
C38A C43A H43D 109.4 . . ?
H43C C43A H43D 108.0 . . ?
C49A C44A C45A 111.19(14) . . ?
C49A C44A P2A 114.67(12) . . ?
C45A C44A P2A 110.16(11) . . ?
C49A C44A H44A 106.8 . . ?
C45A C44A H44A 106.8 . . ?
P2A C44A H44A 106.8 . . ?
C46A C45A C44A 110.99(14) . . ?
C46A C45A H45C 109.4 . . ?
C44A C45A H45C 109.4 . . ?
C46A C45A H45D 109.4 . . ?
C44A C45A H45D 109.4 . . ?
H45C C45A H45D 108.0 . . ?
C47A C46A C45A 111.81(15) . . ?
C47A C46A H46C 109.3 . . ?
C45A C46A H46C 109.3 . . ?
C47A C46A H46D 109.3 . . ?
C45A C46A H46D 109.3 . . ?
H46C C46A H46D 107.9 . . ?
C46A C47A C48A 110.88(15) . . ?
C46A C47A H47C 109.5 . . ?
C48A C47A H47C 109.5 . . ?
C46A C47A H47D 109.5 . . ?
C48A C47A H47D 109.5 . . ?
H47C C47A H47D 108.1 . . ?
C47A C48A C49A 111.56(15) . . ?
C47A C48A H48C 109.3 . . ?
C49A C48A H48C 109.3 . . ?
C47A C48A H48D 109.3 . . ?
C49A C48A H48D 109.3 . . ?
H48C C48A H48D 108.0 . . ?
C48A C49A C44A 110.21(15) . . ?
C48A C49A H49C 109.6 . . ?
C44A C49A H49C 109.6 . . ?
C48A C49A H49D 109.6 . . ?
C44A C49A H49D 109.6 . . ?
H49C C49A H49D 108.1 . . ?
O14 Cl11 O11 109.27(9) . . ?
O14 Cl11 O12 109.56(9) . . ?
O11 Cl11 O12 108.96(8) . . ?
O14 Cl11 O13 109.57(10) . . ?
O11 Cl11 O13 109.83(9) . . ?
O12 Cl11 O13 109.63(9) . . ?
O24 Cl21 O21 109.41(9) . . ?
O24 Cl21 O23 109.51(9) . . ?
O21 Cl21 O23 108.92(9) . . ?
O24 Cl21 O22 109.19(9) . . ?
O21 Cl21 O22 110.00(9) . . ?
O23 Cl21 O22 109.80(9) . . ?
N1S C1S C2S 178.6(3) . . ?
C1S C2S H2SA 109.5 . . ?
C1S C2S H2SB 109.5 . . ?
H2SA C2S H2SB 109.5 . . ?
C1S C2S H2SC 109.5 . . ?
H2SA C2S H2SC 109.5 . . ?
H2SB C2S H2SC 109.5 . . ?
N2S C3S C4S 179.8(3) . . ?
C3S C4S H4SA 109.5 . . ?
C3S C4S H4SB 109.5 . . ?
H4SA C4S H4SB 109.5 . . ?
C3S C4S H4SC 109.5 . . ?
H4SA C4S H4SC 109.5 . . ?
H4SB C4S H4SC 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 N1 N2 C3 -176.20(14) . . . . ?
C1 N1 N2 Dy1 4.54(16) . . . . ?
C10 N4 N5 C12 178.41(14) . . . . ?
Dy1 N4 N5 C12 -0.41(16) . . . . ?
Dy1 O1 C1 N1 -7.6(2) . . . . ?
Dy1 O1 C1 C2 172.36(11) . . . . ?
N2 N1 C1 O1 1.6(2) . . . . ?
N2 N1 C1 C2 -178.33(14) . . . . ?
N1 N2 C3 C5 -178.67(13) . . . . ?
Dy1 N2 C3 C5 0.5(2) . . . . ?
N1 N2 C3 C4 1.5(2) . . . . ?
Dy1 N2 C3 C4 -179.29(14) . . . . ?
C9 N3 C5 C6 -0.4(2) . . . . ?
Dy1 N3 C5 C6 175.31(12) . . . . ?
C9 N3 C5 C3 179.68(14) . . . . ?
Dy1 N3 C5 C3 -4.59(19) . . . . ?
N2 C3 C5 N3 2.6(2) . . . . ?
C4 C3 C5 N3 -177.52(16) . . . . ?
N2 C3 C5 C6 -177.25(16) . . . . ?
C4 C3 C5 C6 2.6(3) . . . . ?
N3 C5 C6 C7 0.5(3) . . . . ?
C3 C5 C6 C7 -179.58(16) . . . . ?
C5 C6 C7 C8 -0.1(3) . . . . ?
C6 C7 C8 C9 -0.4(3) . . . . ?
C5 N3 C9 C8 -0.1(2) . . . . ?
Dy1 N3 C9 C8 -175.84(12) . . . . ?
C5 N3 C9 C10 178.59(14) . . . . ?
Dy1 N3 C9 C10 2.86(18) . . . . ?
C7 C8 C9 N3 0.5(3) . . . . ?
C7 C8 C9 C10 -178.12(16) . . . . ?
N5 N4 C10 C11 -0.2(2) . . . . ?
Dy1 N4 C10 C11 178.55(12) . . . . ?
N5 N4 C10 C9 -178.68(13) . . . . ?
Dy1 N4 C10 C9 0.08(19) . . . . ?
N3 C9 C10 N4 -1.9(2) . . . . ?
C8 C9 C10 N4 176.79(15) . . . . ?
N3 C9 C10 C11 179.52(14) . . . . ?
C8 C9 C10 C11 -1.8(2) . . . . ?
Dy1 O2 C12 N5 1.7(2) . . . . ?
Dy1 O2 C12 C13 -178.25(12) . . . . ?
N4 N5 C12 O2 -0.8(2) . . . . ?
N4 N5 C12 C13 179.15(14) . . . . ?
O3 P1 C14 C19 -172.12(12) . . . . ?
C26 P1 C14 C19 67.97(14) . . . . ?
C20 P1 C14 C19 -53.32(14) . . . . ?
O3 P1 C14 C15 -45.59(14) . . . . ?
C26 P1 C14 C15 -165.49(12) . . . . ?
C20 P1 C14 C15 73.22(13) . . . . ?
C19 C14 C15 C16 -55.6(2) . . . . ?
P1 C14 C15 C16 175.63(12) . . . . ?
C14 C15 C16 C17 54.3(2) . . . . ?
C15 C16 C17 C18 -54.4(2) . . . . ?
C16 C17 C18 C19 55.7(2) . . . . ?
C17 C18 C19 C14 -57.1(2) . . . . ?
C15 C14 C19 C18 57.23(19) . . . . ?
P1 C14 C19 C18 -176.43(13) . . . . ?
O3 P1 C20 C21 -155.49(13) . . . . ?
C26 P1 C20 C21 -33.26(16) . . . . ?
C14 P1 C20 C21 86.48(14) . . . . ?
O3 P1 C20 C25 -26.33(15) . . . . ?
C26 P1 C20 C25 95.90(14) . . . . ?
C14 P1 C20 C25 -144.37(13) . . . . ?
C25 C20 C21 C22 57.4(2) . . . . ?
P1 C20 C21 C22 -172.74(13) . . . . ?
C20 C21 C22 C23 -56.9(2) . . . . ?
C21 C22 C23 C24 55.7(2) . . . . ?
C22 C23 C24 C25 -54.3(2) . . . . ?
C23 C24 C25 C20 55.0(2) . . . . ?
C21 C20 C25 C24 -57.1(2) . . . . ?
P1 C20 C25 C24 170.68(13) . . . . ?
O3 P1 C26 C27 60.17(14) . . . . ?
C14 P1 C26 C27 179.57(12) . . . . ?
C20 P1 C26 C27 -62.26(14) . . . . ?
O3 P1 C26 C31 -61.48(13) . . . . ?
C14 P1 C26 C31 57.92(14) . . . . ?
C20 P1 C26 C31 176.09(11) . . . . ?
C31 C26 C27 C28 -55.1(2) . . . . ?
P1 C26 C27 C28 -176.11(14) . . . . ?
C26 C27 C28 C29 57.4(2) . . . . ?
C27 C28 C29 C30 -57.0(2) . . . . ?
C28 C29 C30 C31 55.3(2) . . . . ?
C29 C30 C31 C26 -54.5(2) . . . . ?
C27 C26 C31 C30 53.9(2) . . . . ?
P1 C26 C31 C30 175.78(12) . . . . ?
O4 P2 C32 C37 55.52(13) . . . . ?
C44 P2 C32 C37 175.69(12) . . . . ?
C38 P2 C32 C37 -66.89(13) . . . . ?
O4 P2 C32 C33 -66.42(13) . . . . ?
C44 P2 C32 C33 53.74(14) . . . . ?
C38 P2 C32 C33 171.16(12) . . . . ?
C37 C32 C33 C34 55.15(19) . . . . ?
P2 C32 C33 C34 177.47(12) . . . . ?
C32 C33 C34 C35 -55.5(2) . . . . ?
C33 C34 C35 C36 55.6(2) . . . . ?
C34 C35 C36 C37 -56.4(2) . . . . ?
C35 C36 C37 C32 58.2(2) . . . . ?
C33 C32 C37 C36 -57.02(18) . . . . ?
P2 C32 C37 C36 -179.69(12) . . . . ?
O4 P2 C38 C39 -20.45(15) . . . . ?
C32 P2 C38 C39 101.56(13) . . . . ?
C44 P2 C38 C39 -139.74(13) . . . . ?
O4 P2 C38 C43 -148.20(13) . . . . ?
C32 P2 C38 C43 -26.18(16) . . . . ?
C44 P2 C38 C43 92.52(14) . . . . ?
C43 C38 C39 C40 -56.5(2) . . . . ?
P2 C38 C39 C40 173.63(13) . . . . ?
C38 C39 C40 C41 55.3(2) . . . . ?
C39 C40 C41 C42 -54.2(2) . . . . ?
C40 C41 C42 C43 54.4(2) . . . . ?
C41 C42 C43 C38 -55.4(2) . . . . ?
C39 C38 C43 C42 56.6(2) . . . . ?
P2 C38 C43 C42 -175.36(13) . . . . ?
O4 P2 C44 C45 -46.49(14) . . . . ?
C32 P2 C44 C45 -166.96(12) . . . . ?
C38 P2 C44 C45 73.56(13) . . . . ?
O4 P2 C44 C49 -172.46(12) . . . . ?
C32 P2 C44 C49 67.06(14) . . . . ?
C38 P2 C44 C49 -52.41(14) . . . . ?
C49 C44 C45 C46 -56.46(19) . . . . ?
P2 C44 C45 C46 175.90(12) . . . . ?
C44 C45 C46 C47 55.5(2) . . . . ?
C45 C46 C47 C48 -55.3(2) . . . . ?
C46 C47 C48 C49 55.9(2) . . . . ?
C47 C48 C49 C44 -57.2(2) . . . . ?
C45 C44 C49 C48 57.5(2) . . . . ?
P2 C44 C49 C48 -176.37(13) . . . . ?
C1A N1A N2A C3A 179.79(14) . . . . ?
C1A N1A N2A Dy2 1.15(16) . . . . ?
C10A N4A N5A C12A 179.53(15) . . . . ?
Dy2 N4A N5A C12A 0.32(17) . . . . ?
Dy2 O1A C1A N1A -2.3(2) . . . . ?
Dy2 O1A C1A C2A 178.29(11) . . . . ?
N2A N1A C1A O1A 0.6(2) . . . . ?
N2A N1A C1A C2A -179.91(14) . . . . ?
N1A N2A C3A C5A -179.15(13) . . . . ?
Dy2 N2A C3A C5A -0.56(19) . . . . ?
N1A N2A C3A C4A -0.1(2) . . . . ?
Dy2 N2A C3A C4A 178.49(12) . . . . ?
C9A N3A C5A C6A -0.2(2) . . . . ?
Dy2 N3A C5A C6A -179.99(12) . . . . ?
C9A N3A C5A C3A 178.60(14) . . . . ?
Dy2 N3A C5A C3A -1.21(18) . . . . ?
N2A C3A C5A N3A 1.1(2) . . . . ?
C4A C3A C5A N3A -177.96(15) . . . . ?
N2A C3A C5A C6A 179.92(15) . . . . ?
C4A C3A C5A C6A 0.8(2) . . . . ?
N3A C5A C6A C7A 0.4(3) . . . . ?
C3A C5A C6A C7A -178.33(16) . . . . ?
C5A C6A C7A C8A -0.3(3) . . . . ?
C6A C7A C8A C9A 0.0(3) . . . . ?
C5A N3A C9A C8A -0.1(2) . . . . ?
Dy2 N3A C9A C8A 179.70(12) . . . . ?
C5A N3A C9A C10A 179.88(14) . . . . ?
Dy2 N3A C9A C10A -0.32(19) . . . . ?
C7A C8A C9A N3A 0.2(3) . . . . ?
C7A C8A C9A C10A -179.80(16) . . . . ?
N5A N4A C10A C9A 179.40(13) . . . . ?
Dy2 N4A C10A C9A -1.4(2) . . . . ?
N5A N4A C10A C11A -0.4(2) . . . . ?
Dy2 N4A C10A C11A 178.75(14) . . . . ?
N3A C9A C10A N4A 1.1(2) . . . . ?
C8A C9A C10A N4A -178.91(15) . . . . ?
N3A C9A C10A C11A -179.06(16) . . . . ?
C8A C9A C10A C11A 0.9(3) . . . . ?
Dy2 O2A C12A N5A 0.4(2) . . . . ?
Dy2 O2A C12A C13A -178.49(12) . . . . ?
N4A N5A C12A O2A -0.4(2) . . . . ?
N4A N5A C12A C13A 178.42(14) . . . . ?
O3A P1A C14A C19A 173.14(12) . . . . ?
C26A P1A C14A C19A -66.98(14) . . . . ?
C20A P1A C14A C19A 53.59(14) . . . . ?
O3A P1A C14A C15A 46.35(13) . . . . ?
C26A P1A C14A C15A 166.23(11) . . . . ?
C20A P1A C14A C15A -73.20(13) . . . . ?
C19A C14A C15A C16A 57.62(19) . . . . ?
P1A C14A C15A C16A -173.10(12) . . . . ?
C14A C15A C16A C17A -55.8(2) . . . . ?
C15A C16A C17A C18A 54.3(2) . . . . ?
C16A C17A C18A C19A -54.4(2) . . . . ?
C17A C18A C19A C14A 55.9(2) . . . . ?
C15A C14A C19A C18A -57.54(19) . . . . ?
P1A C14A C19A C18A 175.42(13) . . . . ?
O3A P1A C20A C25A 24.47(14) . . . . ?
C14A P1A C20A C25A 143.31(12) . . . . ?
C26A P1A C20A C25A -97.36(13) . . . . ?
O3A P1A C20A C21A 152.07(12) . . . . ?
C14A P1A C20A C21A -89.10(14) . . . . ?
C26A P1A C20A C21A 30.24(15) . . . . ?
C25A C20A C21A C22A -56.72(19) . . . . ?
P1A C20A C21A C22A 175.28(12) . . . . ?
C20A C21A C22A C23A 57.4(2) . . . . ?
C21A C22A C23A C24A -56.2(2) . . . . ?
C22A C23A C24A C25A 54.6(2) . . . . ?
C23A C24A C25A C20A -54.6(2) . . . . ?
C21A C20A C25A C24A 55.56(19) . . . . ?
P1A C20A C25A C24A -174.52(12) . . . . ?
O3A P1A C26A C27A -57.86(13) . . . . ?
C14A P1A C26A C27A -177.33(11) . . . . ?
C20A P1A C26A C27A 64.24(13) . . . . ?
O3A P1A C26A C31A 63.23(13) . . . . ?
C14A P1A C26A C31A -56.24(13) . . . . ?
C20A P1A C26A C31A -174.67(11) . . . . ?
C31A C26A C27A C28A 55.04(19) . . . . ?
P1A C26A C27A C28A 175.57(12) . . . . ?
C26A C27A C28A C29A -56.9(2) . . . . ?
C27A C28A C29A C30A 56.3(2) . . . . ?
C28A C29A C30A C31A -55.9(2) . . . . ?
C29A C30A C31A C26A 55.2(2) . . . . ?
C27A C26A C31A C30A -53.87(19) . . . . ?
P1A C26A C31A C30A -175.14(12) . . . . ?
O4A P2A C32A C33A 68.56(13) . . . . ?
C44A P2A C32A C33A -51.03(14) . . . . ?
C38A P2A C32A C33A -168.67(12) . . . . ?
O4A P2A C32A C37A -53.38(14) . . . . ?
C44A P2A C32A C37A -172.98(12) . . . . ?
C38A P2A C32A C37A 69.38(14) . . . . ?
C37A C32A C33A C34A -54.8(2) . . . . ?
P2A C32A C33A C34A -176.15(13) . . . . ?
C32A C33A C34A C35A 56.0(2) . . . . ?
C33A C34A C35A C36A -56.3(2) . . . . ?
C34A C35A C36A C37A 56.4(2) . . . . ?
C35A C36A C37A C32A -56.3(2) . . . . ?
C33A C32A C37A C36A 55.2(2) . . . . ?
P2A C32A C37A C36A 177.33(13) . . . . ?
O4A P2A C38A C39A 147.13(13) . . . . ?
C32A P2A C38A C39A 24.86(16) . . . . ?
C44A P2A C38A C39A -94.98(14) . . . . ?
O4A P2A C38A C43A 18.26(16) . . . . ?
C32A P2A C38A C43A -104.01(14) . . . . ?
C44A P2A C38A C43A 136.15(13) . . . . ?
C43A C38A C39A C40A -54.5(2) . . . . ?
P2A C38A C39A C40A 176.38(13) . . . . ?
C38A C39A C40A C41A 53.9(2) . . . . ?
C39A C40A C41A C42A -53.9(2) . . . . ?
C40A C41A C42A C43A 53.9(2) . . . . ?
C41A C42A C43A C38A -54.5(2) . . . . ?
C39A C38A C43A C42A 55.3(2) . . . . ?
P2A C38A C43A C42A -173.89(14) . . . . ?
O4A P2A C44A C49A 174.71(12) . . . . ?
C32A P2A C44A C49A -64.91(15) . . . . ?
C38A P2A C44A C49A 55.41(15) . . . . ?
O4A P2A C44A C45A 48.40(14) . . . . ?
C32A P2A C44A C45A 168.78(12) . . . . ?
C38A P2A C44A C45A -70.91(13) . . . . ?
C49A C44A C45A C46A 55.5(2) . . . . ?
P2A C44A C45A C46A -176.27(12) . . . . ?
C44A C45A C46A C47A -55.3(2) . . . . ?
C45A C46A C47A C48A 55.6(2) . . . . ?
C46A C47A C48A C49A -56.1(2) . . . . ?
C47A C48A C49A C44A 56.3(2) . . . . ?
C45A C44A C49A C48A -55.7(2) . . . . ?
P2A C44A C49A C48A 178.49(13) . . . . ?

_refine_diff_density_max         0.601
_refine_diff_density_min         -0.787
_refine_diff_density_rms         0.075



_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_22tab28
_database_code_depnum_ccdc_archive 'CCDC 2239617'
loop_
_audit_author_name
_audit_author_address
'Ilya Yakushev'
;Kurnakov Institute of general and inorganic chemistry, RAS
Russia
;
_audit_update_record             
;
2023-02-02 deposited with the CCDC.	2024-11-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C61 H53 Dy N5 O6 P2, Cl O4, 2(H2 O)'
_chemical_formula_sum            'C61 H57 Cl Dy N5 O12 P2'
_chemical_formula_weight         1312.00

# start Validation Reply Form
_vrf_PLAT420_22tab28             
;

PROBLEM: D-H Bond Without Acceptor  O2W      --H2WB     .     Please Check 
RESPONSE: These level B alert is related to the hydrogen atoms 
of disordered across symmetry element lattice water molecules.

;
# end Validation Reply Form

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.2689(5)
_cell_length_b                   13.1736(6)
_cell_length_c                   19.6615(9)
_cell_angle_alpha                99.0068(16)
_cell_angle_beta                 93.1825(17)
_cell_angle_gamma                113.5421(15)
_cell_volume                     2852.8(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9824
_cell_measurement_theta_min      2.23
_cell_measurement_theta_max      30.51

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.527
_exptl_crystal_F_000             1334
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    1.481
_shelx_estimated_absorpt_T_min   0.718
_shelx_estimated_absorpt_T_max   0.866
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1704
_exptl_absorpt_correction_T_max  0.2125
_exptl_absorpt_process_details   'SADABS (Bruker, 2016)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            38607
_diffrn_reflns_av_unetI/netI     0.0450
_diffrn_reflns_av_R_equivalents  0.0447
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.826
_diffrn_reflns_theta_max         25.350
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             10442
_reflns_number_gt                9450
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX3'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0254P)²+6.4313P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10442
_refine_ls_number_parameters     831
_refine_ls_number_restraints     216
_refine_ls_R_factor_all          0.0439
_refine_ls_R_factor_gt           0.0386
_refine_ls_wR_factor_ref         0.0834
_refine_ls_wR_factor_gt          0.0814
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_restrained_S_all      1.143
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.71515(2) 0.36022(2) 0.26600(2) 0.01692(6) Uani 1 1 d . . . . .
P1 P 1.04256(9) 0.54607(8) 0.31319(5) 0.0195(2) Uani 1 1 d . . . . .
P2 P 0.41250(9) 0.13836(9) 0.18878(5) 0.0206(2) Uani 1 1 d . . . . .
O1 O 0.6399(2) 0.4631(2) 0.33755(13) 0.0214(6) Uani 1 1 d . . . . .
O2 O 0.7377(2) 0.2503(2) 0.33778(13) 0.0222(6) Uani 1 1 d . . . . .
O3 O 0.4872(3) 0.8249(3) 0.50881(17) 0.0407(8) Uani 1 1 d D . . . .
O4 O 0.8230(3) -0.0731(3) 0.51899(16) 0.0403(8) Uani 1 1 d D . . . .
O5 O 0.9078(2) 0.4872(2) 0.29624(14) 0.0246(6) Uani 1 1 d . . . . .
O6 O 0.5300(2) 0.2253(2) 0.22775(14) 0.0234(6) Uani 1 1 d . . . . .
N1 N 0.6008(3) 0.5485(3) 0.25064(17) 0.0275(8) Uani 1 1 d . . . . .
N2 N 0.6460(3) 0.4816(3) 0.21062(17) 0.0278(8) Uani 1 1 d . . . . .
N3 N 0.7323(3) 0.3483(3) 0.14181(17) 0.0277(8) Uani 1 1 d . U . . .
N4 N 0.7911(3) 0.2231(3) 0.21519(17) 0.0246(7) Uani 1 1 d . . . . .
N5 N 0.8116(3) 0.1544(3) 0.25661(17) 0.0257(8) Uani 1 1 d . . . . .
C1 C 0.6055(3) 0.5338(3) 0.3154(2) 0.0205(8) Uani 1 1 d . . . . .
C2 C 0.5687(3) 0.6064(3) 0.3662(2) 0.0206(8) Uani 1 1 d . . . . .
C3 C 0.5711(3) 0.5973(3) 0.4356(2) 0.0238(9) Uani 1 1 d . . . . .
H3 H 0.591245 0.540504 0.449667 0.029 Uiso 1 1 calc R U . . .
C4 C 0.5449(4) 0.6688(4) 0.4849(2) 0.0268(9) Uani 1 1 d . . . . .
H4 H 0.547357 0.661256 0.532140 0.032 Uiso 1 1 calc R U . . .
C5 C 0.5149(3) 0.7517(3) 0.4644(2) 0.0282(10) Uani 1 1 d . . . . .
C6 C 0.5113(4) 0.7620(4) 0.3953(2) 0.0310(10) Uani 1 1 d . . . . .
H6 H 0.491281 0.818982 0.381422 0.037 Uiso 1 1 calc R U . . .
C7 C 0.5368(4) 0.6896(3) 0.3464(2) 0.0270(9) Uani 1 1 d . . . . .
H7 H 0.532525 0.696383 0.298999 0.032 Uiso 1 1 calc R U . . .
C8 C 0.5157(5) 0.8385(5) 0.5801(2) 0.0419(17) Uani 0.854(9) 1 d D . P A 2
H8A H 0.467193 0.768621 0.595461 0.063 Uiso 0.854(9) 1 calc R U P A 2
H8B H 0.499040 0.900605 0.604310 0.063 Uiso 0.854(9) 1 calc R U P A 2
H8C H 0.600923 0.855685 0.590879 0.063 Uiso 0.854(9) 1 calc R U P A 2
C8' C 0.488(2) 0.9313(11) 0.5096(14) 0.026(8) Uiso 0.146(9) 1 d D . P A -1
H8'A H 0.564906 0.981577 0.497343 0.039 Uiso 0.146(9) 1 calc R U P A -1
H8'B H 0.477634 0.962452 0.556172 0.039 Uiso 0.146(9) 1 calc R U P A -1
H8'C H 0.422618 0.924752 0.475911 0.039 Uiso 0.146(9) 1 calc R U P A -1
C9 C 0.6395(5) 0.4786(4) 0.1442(2) 0.0381(11) Uani 1 1 d . . . . .
C10 C 0.5800(6) 0.5370(5) 0.1060(3) 0.0565(16) Uani 1 1 d . . . . .
H10A H 0.537468 0.568543 0.137599 0.085 Uiso 1 1 calc R U . . .
H10B H 0.522783 0.482490 0.066993 0.085 Uiso 1 1 calc R U . . .
H10C H 0.640916 0.597921 0.088317 0.085 Uiso 1 1 calc R U . . .
C11 C 0.6953(5) 0.4106(4) 0.1059(2) 0.0398(11) Uani 1 1 d . U . . .
C12 C 0.694(2) 0.4059(13) 0.0331(8) 0.035(3) Uani 0.56(3) 1 d D U P B 3
H12 H 0.655866 0.442292 0.008682 0.042 Uiso 0.56(3) 1 calc R U P B 3
C12' C 0.745(3) 0.4234(16) 0.0429(10) 0.037(4) Uani 0.44(3) 1 d D U P B 4
H12' H 0.738454 0.478770 0.019342 0.045 Uiso 0.44(3) 1 calc R U P B 4
C13 C 0.751(2) 0.3449(12) 0.0004(8) 0.031(4) Uani 0.56(3) 1 d D . P B 3
H13 H 0.764697 0.347020 -0.046564 0.037 Uiso 0.56(3) 1 calc R U P B 3
C13' C 0.803(2) 0.3592(16) 0.0140(10) 0.035(4) Uani 0.44(3) 1 d D . P B 4
H13' H 0.825831 0.366158 -0.031001 0.042 Uiso 0.44(3) 1 calc R U P B 4
C14 C 0.7888(18) 0.2805(16) 0.0368(10) 0.023(4) Uani 0.56(3) 1 d D . P B 3
H14 H 0.820228 0.232409 0.012281 0.028 Uiso 0.56(3) 1 calc R U P B 3
C14' C 0.828(2) 0.287(2) 0.0471(14) 0.025(4) Uani 0.44(3) 1 d . . P B 4
H14' H 0.870363 0.244609 0.029368 0.030 Uiso 0.44(3) 1 calc R U P B 4
C15 C 0.7828(4) 0.2827(4) 0.1098(2) 0.0327(10) Uani 1 1 d . . . . .
C16 C 0.8101(3) 0.2092(4) 0.1511(2) 0.0277(9) Uani 1 1 d . . . . .
C17 C 0.8545(5) 0.1255(5) 0.1182(3) 0.0476(14) Uani 1 1 d . . . . .
H17A H 0.814976 0.093855 0.070342 0.071 Uiso 1 1 calc R U . . .
H17B H 0.836371 0.064674 0.144582 0.071 Uiso 1 1 calc R U . . .
H17C H 0.941442 0.162980 0.118132 0.071 Uiso 1 1 calc R U . . .
C18 C 0.7780(3) 0.1755(3) 0.3186(2) 0.0220(9) Uani 1 1 d . . . . .
C19 C 0.7885(3) 0.1058(3) 0.3691(2) 0.0216(8) Uani 1 1 d . . . . .
C20 C 0.8118(4) 0.0116(4) 0.3500(2) 0.0289(10) Uani 1 1 d . . . . .
H20 H 0.821242 -0.010317 0.303075 0.035 Uiso 1 1 calc R U . . .
C21 C 0.8216(4) -0.0514(4) 0.3986(2) 0.0289(10) Uani 1 1 d . . . . .
H21 H 0.836094 -0.116767 0.384634 0.035 Uiso 1 1 calc R U . . .
C22 C 0.8102(4) -0.0192(3) 0.4669(2) 0.0279(9) Uani 1 1 d . . . . .
C23 C 0.7849(5) 0.0741(4) 0.4865(2) 0.0408(12) Uani 1 1 d . . . . .
H23 H 0.775484 0.095836 0.533385 0.049 Uiso 1 1 calc R U . . .
C24 C 0.7733(4) 0.1351(4) 0.4379(2) 0.0345(11) Uani 1 1 d . . . . .
H24 H 0.754726 0.198140 0.451573 0.041 Uiso 1 1 calc R U . . .
C25 C 0.8632(4) -0.1590(4) 0.5028(3) 0.0383(11) Uani 1 1 d D . . . .
H25A H 0.801324 -0.223286 0.470594 0.057 Uiso 1 1 calc R U . . .
H25B H 0.879546 -0.183125 0.545455 0.057 Uiso 1 1 calc R U . . .
H25C H 0.936772 -0.130311 0.481118 0.057 Uiso 1 1 calc R U . . .
C26 C 1.0932(3) 0.6958(3) 0.3203(2) 0.0213(8) Uani 1 1 d . . . . .
C27 C 1.0110(4) 0.7441(4) 0.3201(2) 0.0282(9) Uani 1 1 d . . . . .
H27 H 0.927775 0.698391 0.317720 0.034 Uiso 1 1 calc R U . . .
C28 C 1.0511(4) 0.8588(4) 0.3233(2) 0.0333(10) Uani 1 1 d . . . . .
H28 H 0.994982 0.891759 0.322565 0.040 Uiso 1 1 calc R U . . .
C29 C 1.1714(4) 0.9259(4) 0.3275(2) 0.0305(10) Uani 1 1 d . . . . .
H29 H 1.198081 1.004970 0.330588 0.037 Uiso 1 1 calc R U . . .
C30 C 1.2538(4) 0.8787(3) 0.3272(2) 0.0277(9) Uani 1 1 d . . . . .
H30 H 1.336961 0.925207 0.330051 0.033 Uiso 1 1 calc R U . . .
C31 C 1.2149(4) 0.7637(3) 0.3228(2) 0.0235(9) Uani 1 1 d . . . . .
H31 H 1.271194 0.730848 0.321463 0.028 Uiso 1 1 calc R U . . .
C32 C 1.1147(3) 0.5014(3) 0.2448(2) 0.0215(8) Uani 1 1 d . . . . .
C33 C 1.0665(4) 0.4879(3) 0.1765(2) 0.0261(9) Uani 1 1 d . . . . .
H33 H 0.997040 0.501326 0.167249 0.031 Uiso 1 1 calc R U . . .
C34 C 1.1196(4) 0.4550(4) 0.1217(2) 0.0308(10) Uani 1 1 d . . . . .
H34 H 1.085163 0.443391 0.075100 0.037 Uiso 1 1 calc R U . . .
C35 C 1.2228(4) 0.4391(4) 0.1353(2) 0.0301(10) Uani 1 1 d . . . . .
H35 H 1.259709 0.417344 0.097883 0.036 Uiso 1 1 calc R U . . .
C36 C 1.2723(4) 0.4545(4) 0.2027(2) 0.0326(10) Uani 1 1 d . . . . .
H36 H 1.343810 0.444300 0.211526 0.039 Uiso 1 1 calc R U . . .
C37 C 1.2185(4) 0.4849(3) 0.2578(2) 0.0279(9) Uani 1 1 d . . . . .
H37 H 1.252388 0.494389 0.304227 0.033 Uiso 1 1 calc R U . . .
C38 C 1.0926(3) 0.5167(3) 0.3927(2) 0.0196(8) Uani 1 1 d . . . . .
C39 C 1.1935(4) 0.5929(3) 0.4384(2) 0.0266(9) Uani 1 1 d . . . . .
H39 H 1.240224 0.664430 0.427898 0.032 Uiso 1 1 calc R U . . .
C40 C 1.2257(4) 0.5644(4) 0.4989(2) 0.0300(10) Uani 1 1 d . . . . .
H40 H 1.294547 0.616529 0.529789 0.036 Uiso 1 1 calc R U . . .
C41 C 1.1576(4) 0.4601(3) 0.5147(2) 0.0256(9) Uani 1 1 d . . . . .
H41 H 1.180141 0.440636 0.556119 0.031 Uiso 1 1 calc R U . . .
C42 C 1.0579(4) 0.3851(3) 0.4704(2) 0.0285(10) Uani 1 1 d . . . . .
H42 H 1.010991 0.314140 0.481559 0.034 Uiso 1 1 calc R U . . .
C43 C 1.0251(4) 0.4120(3) 0.4096(2) 0.0272(9) Uani 1 1 d . . . . .
H43 H 0.956193 0.359139 0.379057 0.033 Uiso 1 1 calc R U . . .
C44 C 0.4066(3) -0.0003(3) 0.18928(19) 0.0214(8) Uani 1 1 d . . . . .
C45 C 0.5075(4) -0.0091(4) 0.2179(2) 0.0312(10) Uani 1 1 d . . . . .
H45 H 0.576961 0.057646 0.236986 0.037 Uiso 1 1 calc R U . . .
C46 C 0.5087(4) -0.1126(4) 0.2191(3) 0.0396(11) Uani 1 1 d . . . . .
H46 H 0.579426 -0.117155 0.237732 0.048 Uiso 1 1 calc R U . . .
C47 C 0.4075(5) -0.2097(4) 0.1934(2) 0.0370(11) Uani 1 1 d . . . . .
H47 H 0.407666 -0.281403 0.194862 0.044 Uiso 1 1 calc R U . . .
C48 C 0.3063(5) -0.2026(4) 0.1656(2) 0.0388(12) Uani 1 1 d . . . . .
H48 H 0.236237 -0.269794 0.148460 0.047 Uiso 1 1 calc R U . . .
C49 C 0.3045(4) -0.0986(4) 0.1622(2) 0.0336(10) Uani 1 1 d . . . . .
H49 H 0.234719 -0.094550 0.141767 0.040 Uiso 1 1 calc R U . . .
C50 C 0.2921(4) 0.1558(3) 0.2292(2) 0.0244(9) Uani 1 1 d . . . . .
C51 C 0.1711(4) 0.0897(4) 0.2036(2) 0.0359(11) Uani 1 1 d . . . . .
H51 H 0.149521 0.033564 0.162483 0.043 Uiso 1 1 calc R U . . .
C52 C 0.0830(4) 0.1067(5) 0.2388(3) 0.0464(14) Uani 1 1 d . . . . .
H52 H 0.000900 0.061792 0.221648 0.056 Uiso 1 1 calc R U . . .
C53 C 0.1130(4) 0.1873(5) 0.2979(3) 0.0451(13) Uani 1 1 d . . . . .
H53 H 0.051570 0.198023 0.321319 0.054 Uiso 1 1 calc R U . . .
C54 C 0.2313(4) 0.2532(4) 0.3238(3) 0.0383(11) Uani 1 1 d . . . . .
H54 H 0.251328 0.308559 0.365166 0.046 Uiso 1 1 calc R U . . .
C55 C 0.3220(4) 0.2385(4) 0.2893(2) 0.0285(10) Uani 1 1 d . . . . .
H55 H 0.403732 0.284637 0.306747 0.034 Uiso 1 1 calc R U . . .
C56 C 0.3969(4) 0.1511(3) 0.0994(2) 0.0286(10) Uani 1 1 d . . . . .
C57 C 0.3238(5) 0.1978(4) 0.0742(2) 0.0433(13) Uani 1 1 d . . . . .
H57 H 0.275576 0.220353 0.103821 0.052 Uiso 1 1 calc R U . . .
C58 C 0.3207(6) 0.2120(5) 0.0052(3) 0.0609(17) Uani 1 1 d . . . . .
H58 H 0.269301 0.242802 -0.012122 0.073 Uiso 1 1 calc R U . . .
C59 C 0.3918(6) 0.1813(5) -0.0375(3) 0.0611(18) Uani 1 1 d . . . . .
H59 H 0.388959 0.190376 -0.084466 0.073 Uiso 1 1 calc R U . . .
C60 C 0.4675(6) 0.1374(4) -0.0125(3) 0.0500(14) Uani 1 1 d . . . . .
H60 H 0.518021 0.118228 -0.041938 0.060 Uiso 1 1 calc R U . . .
C61 C 0.4702(5) 0.1212(4) 0.0554(2) 0.0372(11) Uani 1 1 d . . . . .
H61 H 0.521475 0.089943 0.072262 0.045 Uiso 1 1 calc R U . . .
Cl1" Cl 0.9611(3) 0.7398(4) 0.08376(17) 0.0532(10) Uani 0.5 1 d D U P C -2
O1A O 1.0498(6) 0.8361(7) 0.0623(4) 0.064(2) Uani 0.5 1 d D U P C -2
O2" O 0.8728(10) 0.6688(15) 0.0298(7) 0.070(4) Uani 0.5 1 d D U P C -2
O3" O 1.0433(8) 0.7079(9) 0.1100(6) 0.079(3) Uani 0.5 1 d D U P C -2
O4" O 0.9124(7) 0.8080(7) 0.1259(4) 0.061(2) Uani 0.5 1 d D U P C -2
Cl1' Cl 0.9335(3) 0.6969(3) 0.10151(19) 0.0421(8) Uani 0.5 1 d . U P D 1
O1' O 0.8841(6) 0.6360(7) 0.1530(3) 0.0470(18) Uani 0.5 1 d D U P D 1
O3' O 1.0155(7) 0.6495(9) 0.0698(4) 0.062(2) Uani 0.5 1 d D U P D 1
O4' O 0.9824(12) 0.8010(12) 0.1324(7) 0.128(4) Uani 0.5 1 d D U P D 1
O7 O 0.8447(10) 0.6723(13) 0.0434(6) 0.057(3) Uani 0.5 1 d D U P D 1
O1W O 0.7470(4) 0.7856(3) 0.2253(2) 0.0789(14) Uani 1 1 d . . . . .
H1WA H 0.800217 0.788187 0.199643 0.118 Uiso 1 1 d R U . . .
H1WB H 0.701357 0.721437 0.231613 0.118 Uiso 1 1 d R U . . .
O2W O 1.0932(9) 0.9375(7) 0.0346(4) 0.072(3) Uani 0.5 1 d . . P E 1
H2WA H 1.057787 0.898028 0.062883 0.108 Uiso 0.5 1 d R U P E 1
H2WB H 1.052837 0.967188 0.016433 0.108 Uiso 0.5 1 d R U P E 1
O3W O 1.0431(15) 1.015(2) 0.0112(12) 0.165(7) Uani 0.5 1 d . . P F -2
H3WA H 0.992653 1.035342 -0.006144 0.247 Uiso 0.5 1 d R U P F -2
H3WB H 1.023883 0.958362 0.029826 0.247 Uiso 0.5 1 d R U P F -2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O6 2.248(3) . ?
Dy1 O2 2.255(3) . ?
Dy1 O5 2.261(3) . ?
Dy1 O1 2.283(3) . ?
Dy1 N2 2.447(3) . ?
Dy1 N3 2.448(3) . ?
Dy1 N4 2.452(3) . ?
P1 O5 1.510(3) . ?
P1 C26 1.795(4) . ?
P1 C32 1.799(4) . ?
P1 C38 1.801(4) . ?
P2 O6 1.503(3) . ?
P2 C50 1.792(4) . ?
P2 C56 1.799(4) . ?
P2 C44 1.801(4) . ?
O1 C1 1.286(4) . ?
O2 C18 1.285(4) . ?
O3 C5 1.357(5) . ?
O3 C8 1.392(5) . ?
O3 C8' 1.395(5) . ?
O4 C22 1.369(5) . ?
O4 C25 1.405(4) . ?
N1 C1 1.320(5) . ?
N1 N2 1.388(5) . ?
N2 C9 1.297(5) . ?
N3 C11 1.348(6) . ?
N3 C15 1.353(5) . ?
N4 C16 1.292(5) . ?
N4 N5 1.392(5) . ?
N5 C18 1.332(5) . ?
C1 C2 1.487(5) . ?
C2 C3 1.389(5) . ?
C2 C7 1.403(5) . ?
C3 C4 1.386(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.390(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.387(6) . ?
C6 C7 1.383(6) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C8' H8'A 0.9800 . ?
C8' H8'B 0.9800 . ?
C8' H8'C 0.9800 . ?
C9 C11 1.476(6) . ?
C9 C10 1.502(7) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12' 1.416(19) . ?
C11 C12 1.423(15) . ?
C12 C13 1.376(12) . ?
C12 H12 0.9500 . ?
C12' C13' 1.383(15) . ?
C12' H12' 0.9500 . ?
C13 C14 1.382(17) . ?
C13 H13 0.9500 . ?
C13' C14' 1.35(3) . ?
C13' H13' 0.9500 . ?
C14 C15 1.44(2) . ?
C14 H14 0.9500 . ?
C14' C15 1.38(3) . ?
C14' H14' 0.9500 . ?
C15 C16 1.478(6) . ?
C16 C17 1.493(6) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.486(6) . ?
C19 C20 1.383(5) . ?
C19 C24 1.392(6) . ?
C20 C21 1.390(6) . ?
C20 H20 0.9500 . ?
C21 C22 1.376(6) . ?
C21 H21 0.9500 . ?
C22 C23 1.387(6) . ?
C23 C24 1.376(6) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 C27 1.391(5) . ?
C26 C31 1.394(5) . ?
C27 C28 1.379(6) . ?
C27 H27 0.9500 . ?
C28 C29 1.374(6) . ?
C28 H28 0.9500 . ?
C29 C30 1.382(6) . ?
C29 H29 0.9500 . ?
C30 C31 1.380(6) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C32 C37 1.392(6) . ?
C32 C33 1.393(6) . ?
C33 C34 1.390(6) . ?
C33 H33 0.9500 . ?
C34 C35 1.381(6) . ?
C34 H34 0.9500 . ?
C35 C36 1.377(6) . ?
C35 H35 0.9500 . ?
C36 C37 1.387(6) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?
C38 C39 1.395(5) . ?
C38 C43 1.400(6) . ?
C39 C40 1.385(6) . ?
C39 H39 0.9500 . ?
C40 C41 1.389(6) . ?
C40 H40 0.9500 . ?
C41 C42 1.370(6) . ?
C41 H41 0.9500 . ?
C42 C43 1.382(6) . ?
C42 H42 0.9500 . ?
C43 H43 0.9500 . ?
C44 C45 1.385(6) . ?
C44 C49 1.393(6) . ?
C45 C46 1.375(6) . ?
C45 H45 0.9500 . ?
C46 C47 1.376(7) . ?
C46 H46 0.9500 . ?
C47 C48 1.372(7) . ?
C47 H47 0.9500 . ?
C48 C49 1.391(6) . ?
C48 H48 0.9500 . ?
C49 H49 0.9500 . ?
C50 C55 1.396(6) . ?
C50 C51 1.401(6) . ?
C51 C52 1.388(7) . ?
C51 H51 0.9500 . ?
C52 C53 1.366(8) . ?
C52 H52 0.9500 . ?
C53 C54 1.376(7) . ?
C53 H53 0.9500 . ?
C54 C55 1.396(6) . ?
C54 H54 0.9500 . ?
C55 H55 0.9500 . ?
C56 C57 1.384(6) . ?
C56 C61 1.404(6) . ?
C57 C58 1.397(7) . ?
C57 H57 0.9500 . ?
C58 C59 1.374(8) . ?
C58 H58 0.9500 . ?
C59 C60 1.381(8) . ?
C59 H59 0.9500 . ?
C60 C61 1.385(6) . ?
C60 H60 0.9500 . ?
C61 H61 0.9500 . ?
Cl1" O3" 1.344(8) . ?
Cl1" O2" 1.387(10) . ?
Cl1" O1A 1.445(8) . ?
Cl1" O4" 1.449(8) . ?
Cl1' O4' 1.285(13) . ?
Cl1' O1' 1.404(7) . ?
Cl1' O7 1.436(11) . ?
Cl1' O3' 1.498(9) . ?
O1W H1WA 0.8403 . ?
O1W H1WB 0.8401 . ?
O2W H2WA 0.8399 . ?
O2W H2WB 0.8400 . ?
O3W H3WA 0.8401 . ?
O3W H3WB 0.8400 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O6 Dy1 O2 88.00(10) . . ?
O6 Dy1 O5 174.43(10) . . ?
O2 Dy1 O5 91.97(10) . . ?
O6 Dy1 O1 91.18(9) . . ?
O2 Dy1 O1 99.48(9) . . ?
O5 Dy1 O1 94.32(9) . . ?
O6 Dy1 N2 85.13(11) . . ?
O2 Dy1 N2 162.86(10) . . ?
O5 Dy1 N2 96.38(11) . . ?
O1 Dy1 N2 65.05(10) . . ?
O6 Dy1 N3 83.25(11) . . ?
O2 Dy1 N3 129.62(10) . . ?
O5 Dy1 N3 92.51(11) . . ?
O1 Dy1 N3 130.10(10) . . ?
N2 Dy1 N3 65.07(11) . . ?
O6 Dy1 N4 86.99(10) . . ?
O2 Dy1 N4 65.21(10) . . ?
O5 Dy1 N4 87.94(10) . . ?
O1 Dy1 N4 164.61(10) . . ?
N2 Dy1 N4 129.87(11) . . ?
N3 Dy1 N4 64.86(11) . . ?
O5 P1 C26 110.85(17) . . ?
O5 P1 C32 111.01(17) . . ?
C26 P1 C32 105.88(18) . . ?
O5 P1 C38 111.05(17) . . ?
C26 P1 C38 109.57(18) . . ?
C32 P1 C38 108.32(18) . . ?
O6 P2 C50 109.15(18) . . ?
O6 P2 C56 111.60(18) . . ?
C50 P2 C56 109.04(19) . . ?
O6 P2 C44 109.09(17) . . ?
C50 P2 C44 110.79(18) . . ?
C56 P2 C44 107.16(19) . . ?
C1 O1 Dy1 120.9(2) . . ?
C18 O2 Dy1 121.8(2) . . ?
C5 O3 C8 119.9(4) . . ?
C5 O3 C8' 135.7(12) . . ?
C22 O4 C25 117.4(4) . . ?
P1 O5 Dy1 165.75(17) . . ?
P2 O6 Dy1 169.16(17) . . ?
C1 N1 N2 109.8(3) . . ?
C9 N2 N1 118.1(4) . . ?
C9 N2 Dy1 122.8(3) . . ?
N1 N2 Dy1 118.8(2) . . ?
C11 N3 C15 120.0(4) . . ?
C11 N3 Dy1 119.9(3) . . ?
C15 N3 Dy1 120.0(3) . . ?
C16 N4 N5 118.1(3) . . ?
C16 N4 Dy1 123.3(3) . . ?
N5 N4 Dy1 118.6(2) . . ?
C18 N5 N4 108.8(3) . . ?
O1 C1 N1 125.3(4) . . ?
O1 C1 C2 118.4(3) . . ?
N1 C1 C2 116.3(3) . . ?
C3 C2 C7 118.1(4) . . ?
C3 C2 C1 120.5(3) . . ?
C7 C2 C1 121.4(4) . . ?
C4 C3 C2 121.8(4) . . ?
C4 C3 H3 119.1 . . ?
C2 C3 H3 119.1 . . ?
C3 C4 C5 119.2(4) . . ?
C3 C4 H4 120.4 . . ?
C5 C4 H4 120.4 . . ?
O3 C5 C6 116.6(4) . . ?
O3 C5 C4 123.4(4) . . ?
C6 C5 C4 120.0(4) . . ?
C7 C6 C5 120.3(4) . . ?
C7 C6 H6 119.8 . . ?
C5 C6 H6 119.8 . . ?
C6 C7 C2 120.6(4) . . ?
C6 C7 H7 119.7 . . ?
C2 C7 H7 119.7 . . ?
O3 C8 H8A 109.5 . . ?
O3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
O3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O3 C8' H8'A 109.5 . . ?
O3 C8' H8'B 109.5 . . ?
H8'A C8' H8'B 109.5 . . ?
O3 C8' H8'C 109.5 . . ?
H8'A C8' H8'C 109.5 . . ?
H8'B C8' H8'C 109.5 . . ?
N2 C9 C11 114.8(4) . . ?
N2 C9 C10 125.1(4) . . ?
C11 C9 C10 120.1(4) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N3 C11 C12' 112.7(10) . . ?
N3 C11 C12 125.1(7) . . ?
N3 C11 C9 116.8(4) . . ?
C12' C11 C9 128.2(9) . . ?
C12 C11 C9 117.7(7) . . ?
C13 C12 C11 115.3(12) . . ?
C13 C12 H12 122.3 . . ?
C11 C12 H12 122.3 . . ?
C13' C12' C11 123.2(16) . . ?
C13' C12' H12' 118.4 . . ?
C11 C12' H12' 118.4 . . ?
C12 C13 C14 119.2(14) . . ?
C12 C13 H13 120.4 . . ?
C14 C13 H13 120.4 . . ?
C14' C13' C12' 122.6(19) . . ?
C14' C13' H13' 118.7 . . ?
C12' C13' H13' 118.7 . . ?
C13 C14 C15 123.3(14) . . ?
C13 C14 H14 118.3 . . ?
C15 C14 H14 118.3 . . ?
C13' C14' C15 111(2) . . ?
C13' C14' H14' 124.3 . . ?
C15 C14' H14' 124.3 . . ?
N3 C15 C14' 127.8(12) . . ?
N3 C15 C14 116.2(8) . . ?
N3 C15 C16 116.4(4) . . ?
C14' C15 C16 115.1(12) . . ?
C14 C15 C16 126.8(8) . . ?
N4 C16 C15 115.0(4) . . ?
N4 C16 C17 124.7(4) . . ?
C15 C16 C17 120.3(4) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
O2 C18 N5 125.4(4) . . ?
O2 C18 C19 118.1(3) . . ?
N5 C18 C19 116.5(3) . . ?
C20 C19 C24 118.4(4) . . ?
C20 C19 C18 122.3(4) . . ?
C24 C19 C18 119.3(3) . . ?
C19 C20 C21 120.8(4) . . ?
C19 C20 H20 119.6 . . ?
C21 C20 H20 119.6 . . ?
C22 C21 C20 120.1(4) . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
O4 C22 C21 124.4(4) . . ?
O4 C22 C23 116.0(4) . . ?
C21 C22 C23 119.6(4) . . ?
C24 C23 C22 120.1(4) . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C24 C19 121.0(4) . . ?
C23 C24 H24 119.5 . . ?
C19 C24 H24 119.5 . . ?
O4 C25 H25A 109.5 . . ?
O4 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
O4 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C27 C26 C31 119.6(4) . . ?
C27 C26 P1 120.3(3) . . ?
C31 C26 P1 120.0(3) . . ?
C28 C27 C26 119.6(4) . . ?
C28 C27 H27 120.2 . . ?
C26 C27 H27 120.2 . . ?
C29 C28 C27 120.6(4) . . ?
C29 C28 H28 119.7 . . ?
C27 C28 H28 119.7 . . ?
C28 C29 C30 120.3(4) . . ?
C28 C29 H29 119.9 . . ?
C30 C29 H29 119.9 . . ?
C31 C30 C29 119.8(4) . . ?
C31 C30 H30 120.1 . . ?
C29 C30 H30 120.1 . . ?
C30 C31 C26 120.1(4) . . ?
C30 C31 H31 119.9 . . ?
C26 C31 H31 119.9 . . ?
C37 C32 C33 119.5(4) . . ?
C37 C32 P1 122.6(3) . . ?
C33 C32 P1 117.9(3) . . ?
C34 C33 C32 120.2(4) . . ?
C34 C33 H33 119.9 . . ?
C32 C33 H33 119.9 . . ?
C35 C34 C33 119.7(4) . . ?
C35 C34 H34 120.1 . . ?
C33 C34 H34 120.1 . . ?
C36 C35 C34 120.4(4) . . ?
C36 C35 H35 119.8 . . ?
C34 C35 H35 119.8 . . ?
C35 C36 C37 120.4(4) . . ?
C35 C36 H36 119.8 . . ?
C37 C36 H36 119.8 . . ?
C36 C37 C32 119.8(4) . . ?
C36 C37 H37 120.1 . . ?
C32 C37 H37 120.1 . . ?
C39 C38 C43 118.7(4) . . ?
C39 C38 P1 123.6(3) . . ?
C43 C38 P1 117.7(3) . . ?
C40 C39 C38 120.2(4) . . ?
C40 C39 H39 119.9 . . ?
C38 C39 H39 119.9 . . ?
C39 C40 C41 120.2(4) . . ?
C39 C40 H40 119.9 . . ?
C41 C40 H40 119.9 . . ?
C42 C41 C40 119.9(4) . . ?
C42 C41 H41 120.0 . . ?
C40 C41 H41 120.0 . . ?
C41 C42 C43 120.5(4) . . ?
C41 C42 H42 119.7 . . ?
C43 C42 H42 119.7 . . ?
C42 C43 C38 120.4(4) . . ?
C42 C43 H43 119.8 . . ?
C38 C43 H43 119.8 . . ?
C45 C44 C49 119.1(4) . . ?
C45 C44 P2 118.4(3) . . ?
C49 C44 P2 122.5(3) . . ?
C46 C45 C44 121.1(4) . . ?
C46 C45 H45 119.5 . . ?
C44 C45 H45 119.5 . . ?
C45 C46 C47 119.9(4) . . ?
C45 C46 H46 120.0 . . ?
C47 C46 H46 120.0 . . ?
C48 C47 C46 119.7(4) . . ?
C48 C47 H47 120.1 . . ?
C46 C47 H47 120.1 . . ?
C47 C48 C49 121.1(4) . . ?
C47 C48 H48 119.5 . . ?
C49 C48 H48 119.5 . . ?
C48 C49 C44 119.1(4) . . ?
C48 C49 H49 120.5 . . ?
C44 C49 H49 120.5 . . ?
C55 C50 C51 119.4(4) . . ?
C55 C50 P2 117.6(3) . . ?
C51 C50 P2 123.0(4) . . ?
C52 C51 C50 119.5(5) . . ?
C52 C51 H51 120.3 . . ?
C50 C51 H51 120.3 . . ?
C53 C52 C51 120.8(5) . . ?
C53 C52 H52 119.6 . . ?
C51 C52 H52 119.6 . . ?
C52 C53 C54 120.6(4) . . ?
C52 C53 H53 119.7 . . ?
C54 C53 H53 119.7 . . ?
C53 C54 C55 120.0(5) . . ?
C53 C54 H54 120.0 . . ?
C55 C54 H54 120.0 . . ?
C54 C55 C50 119.8(4) . . ?
C54 C55 H55 120.1 . . ?
C50 C55 H55 120.1 . . ?
C57 C56 C61 119.2(4) . . ?
C57 C56 P2 122.6(3) . . ?
C61 C56 P2 117.9(3) . . ?
C56 C57 C58 120.2(5) . . ?
C56 C57 H57 119.9 . . ?
C58 C57 H57 119.9 . . ?
C59 C58 C57 120.1(5) . . ?
C59 C58 H58 120.0 . . ?
C57 C58 H58 120.0 . . ?
C58 C59 C60 120.3(5) . . ?
C58 C59 H59 119.9 . . ?
C60 C59 H59 119.9 . . ?
C59 C60 C61 120.3(5) . . ?
C59 C60 H60 119.9 . . ?
C61 C60 H60 119.9 . . ?
C60 C61 C56 119.9(5) . . ?
C60 C61 H61 120.0 . . ?
C56 C61 H61 120.0 . . ?
O3" Cl1" O2" 120.8(9) . . ?
O3" Cl1" O1A 93.5(6) . . ?
O2" Cl1" O1A 112.7(8) . . ?
O3" Cl1" O4" 123.0(6) . . ?
O2" Cl1" O4" 108.0(7) . . ?
O1A Cl1" O4" 93.2(5) . . ?
O4' Cl1' O1' 105.4(8) . . ?
O4' Cl1' O7 114.5(10) . . ?
O1' Cl1' O7 111.3(7) . . ?
O4' Cl1' O3' 116.4(8) . . ?
O1' Cl1' O3' 107.4(5) . . ?
O7 Cl1' O3' 101.8(6) . . ?
H1WA O1W H1WB 116.6 . . ?
H2WA O2W H2WB 113.2 . . ?
H3WA O3W H3WB 123.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C26 P1 O5 Dy1 168.5(7) . . . . ?
C32 P1 O5 Dy1 51.1(7) . . . . ?
C38 P1 O5 Dy1 -69.5(7) . . . . ?
C50 P2 O6 Dy1 -134.2(9) . . . . ?
C56 P2 O6 Dy1 -13.6(10) . . . . ?
C44 P2 O6 Dy1 104.6(9) . . . . ?
C1 N1 N2 C9 174.7(4) . . . . ?
C1 N1 N2 Dy1 0.8(4) . . . . ?
C16 N4 N5 C18 -175.2(3) . . . . ?
Dy1 N4 N5 C18 3.0(4) . . . . ?
Dy1 O1 C1 N1 5.4(5) . . . . ?
Dy1 O1 C1 C2 -174.0(2) . . . . ?
N2 N1 C1 O1 -3.9(6) . . . . ?
N2 N1 C1 C2 175.5(3) . . . . ?
O1 C1 C2 C3 -0.3(5) . . . . ?
N1 C1 C2 C3 -179.8(4) . . . . ?
O1 C1 C2 C7 176.4(4) . . . . ?
N1 C1 C2 C7 -3.1(6) . . . . ?
C7 C2 C3 C4 -1.1(6) . . . . ?
C1 C2 C3 C4 175.7(4) . . . . ?
C2 C3 C4 C5 0.2(6) . . . . ?
C8 O3 C5 C6 -164.8(4) . . . . ?
C8' O3 C5 C6 -23.2(18) . . . . ?
C8 O3 C5 C4 15.8(6) . . . . ?
C8' O3 C5 C4 157.3(17) . . . . ?
C3 C4 C5 O3 179.5(4) . . . . ?
C3 C4 C5 C6 0.1(6) . . . . ?
O3 C5 C6 C7 -179.1(4) . . . . ?
C4 C5 C6 C7 0.4(6) . . . . ?
C5 C6 C7 C2 -1.2(6) . . . . ?
C3 C2 C7 C6 1.6(6) . . . . ?
C1 C2 C7 C6 -175.2(4) . . . . ?
N1 N2 C9 C11 176.8(4) . . . . ?
Dy1 N2 C9 C11 -9.6(6) . . . . ?
N1 N2 C9 C10 -3.8(7) . . . . ?
Dy1 N2 C9 C10 169.8(4) . . . . ?
C15 N3 C11 C12' -16.8(12) . . . . ?
Dy1 N3 C11 C12' 160.7(11) . . . . ?
C15 N3 C11 C12 6.5(13) . . . . ?
Dy1 N3 C11 C12 -176.0(11) . . . . ?
C15 N3 C11 C9 179.1(4) . . . . ?
Dy1 N3 C11 C9 -3.4(6) . . . . ?
N2 C9 C11 N3 8.3(7) . . . . ?
C10 C9 C11 N3 -171.2(5) . . . . ?
N2 C9 C11 C12' -153.0(14) . . . . ?
C10 C9 C11 C12' 27.6(16) . . . . ?
N2 C9 C11 C12 -178.6(10) . . . . ?
C10 C9 C11 C12 2.0(12) . . . . ?
N3 C11 C12 C13 -9.9(16) . . . . ?
C9 C11 C12 C13 177.6(8) . . . . ?
N3 C11 C12' C13' 13.6(19) . . . . ?
C9 C11 C12' C13' 175.4(10) . . . . ?
C11 C12 C13 C14 9.5(18) . . . . ?
C11 C12' C13' C14' -7(2) . . . . ?
C12 C13 C14 C15 -7(2) . . . . ?
C12' C13' C14' C15 3(2) . . . . ?
C11 N3 C15 C14' 15.7(13) . . . . ?
Dy1 N3 C15 C14' -161.9(12) . . . . ?
C11 N3 C15 C14 -2.6(11) . . . . ?
Dy1 N3 C15 C14 179.8(9) . . . . ?
C11 N3 C15 C16 -174.4(4) . . . . ?
Dy1 N3 C15 C16 8.0(5) . . . . ?
C13' C14' C15 N3 -7.5(19) . . . . ?
C13' C14' C15 C16 -177.5(10) . . . . ?
C13 C14 C15 N3 3.0(17) . . . . ?
C13 C14 C15 C16 173.8(11) . . . . ?
N5 N4 C16 C15 178.1(3) . . . . ?
Dy1 N4 C16 C15 0.0(5) . . . . ?
N5 N4 C16 C17 -0.9(6) . . . . ?
Dy1 N4 C16 C17 -179.1(3) . . . . ?
N3 C15 C16 N4 -5.2(6) . . . . ?
C14' C15 C16 N4 166.0(11) . . . . ?
C14 C15 C16 N4 -176.1(11) . . . . ?
N3 C15 C16 C17 173.9(4) . . . . ?
C14' C15 C16 C17 -14.9(12) . . . . ?
C14 C15 C16 C17 3.1(12) . . . . ?
Dy1 O2 C18 N5 0.7(5) . . . . ?
Dy1 O2 C18 C19 -179.2(2) . . . . ?
N4 N5 C18 O2 -2.5(5) . . . . ?
N4 N5 C18 C19 177.4(3) . . . . ?
O2 C18 C19 C20 169.1(4) . . . . ?
N5 C18 C19 C20 -10.8(5) . . . . ?
O2 C18 C19 C24 -10.2(5) . . . . ?
N5 C18 C19 C24 169.9(4) . . . . ?
C24 C19 C20 C21 -0.9(6) . . . . ?
C18 C19 C20 C21 179.7(4) . . . . ?
C19 C20 C21 C22 -1.2(6) . . . . ?
C25 O4 C22 C21 7.4(6) . . . . ?
C25 O4 C22 C23 -172.3(4) . . . . ?
C20 C21 C22 O4 -177.4(4) . . . . ?
C20 C21 C22 C23 2.2(7) . . . . ?
O4 C22 C23 C24 178.5(4) . . . . ?
C21 C22 C23 C24 -1.2(7) . . . . ?
C22 C23 C24 C19 -1.0(8) . . . . ?
C20 C19 C24 C23 2.0(7) . . . . ?
C18 C19 C24 C23 -178.6(4) . . . . ?
O5 P1 C26 C27 8.9(4) . . . . ?
C32 P1 C26 C27 129.4(3) . . . . ?
C38 P1 C26 C27 -114.0(3) . . . . ?
O5 P1 C26 C31 -168.0(3) . . . . ?
C32 P1 C26 C31 -47.6(4) . . . . ?
C38 P1 C26 C31 69.0(3) . . . . ?
C31 C26 C27 C28 -0.9(6) . . . . ?
P1 C26 C27 C28 -177.9(3) . . . . ?
C26 C27 C28 C29 -0.7(7) . . . . ?
C27 C28 C29 C30 1.2(7) . . . . ?
C28 C29 C30 C31 -0.1(6) . . . . ?
C29 C30 C31 C26 -1.5(6) . . . . ?
C27 C26 C31 C30 2.0(6) . . . . ?
P1 C26 C31 C30 179.0(3) . . . . ?
O5 P1 C32 C37 -141.8(3) . . . . ?
C26 P1 C32 C37 97.8(4) . . . . ?
C38 P1 C32 C37 -19.6(4) . . . . ?
O5 P1 C32 C33 41.1(4) . . . . ?
C26 P1 C32 C33 -79.3(3) . . . . ?
C38 P1 C32 C33 163.2(3) . . . . ?
C37 C32 C33 C34 1.9(6) . . . . ?
P1 C32 C33 C34 179.2(3) . . . . ?
C32 C33 C34 C35 -2.1(6) . . . . ?
C33 C34 C35 C36 0.7(6) . . . . ?
C34 C35 C36 C37 0.8(7) . . . . ?
C35 C36 C37 C32 -0.9(7) . . . . ?
C33 C32 C37 C36 -0.4(6) . . . . ?
P1 C32 C37 C36 -177.6(3) . . . . ?
O5 P1 C38 C39 -148.2(3) . . . . ?
C26 P1 C38 C39 -25.4(4) . . . . ?
C32 P1 C38 C39 89.6(4) . . . . ?
O5 P1 C38 C43 30.9(4) . . . . ?
C26 P1 C38 C43 153.7(3) . . . . ?
C32 P1 C38 C43 -91.2(3) . . . . ?
C43 C38 C39 C40 0.3(6) . . . . ?
P1 C38 C39 C40 179.4(3) . . . . ?
C38 C39 C40 C41 -0.1(6) . . . . ?
C39 C40 C41 C42 -0.3(6) . . . . ?
C40 C41 C42 C43 0.7(6) . . . . ?
C41 C42 C43 C38 -0.6(6) . . . . ?
C39 C38 C43 C42 0.1(6) . . . . ?
P1 C38 C43 C42 -179.1(3) . . . . ?
O6 P2 C44 C45 -5.3(4) . . . . ?
C50 P2 C44 C45 -125.5(3) . . . . ?
C56 P2 C44 C45 115.7(3) . . . . ?
O6 P2 C44 C49 174.5(3) . . . . ?
C50 P2 C44 C49 54.3(4) . . . . ?
C56 P2 C44 C49 -64.5(4) . . . . ?
C49 C44 C45 C46 0.8(7) . . . . ?
P2 C44 C45 C46 -179.3(4) . . . . ?
C44 C45 C46 C47 -1.8(7) . . . . ?
C45 C46 C47 C48 1.0(7) . . . . ?
C46 C47 C48 C49 0.8(7) . . . . ?
C47 C48 C49 C44 -1.7(7) . . . . ?
C45 C44 C49 C48 0.9(6) . . . . ?
P2 C44 C49 C48 -178.9(3) . . . . ?
O6 P2 C50 C55 -3.0(4) . . . . ?
C56 P2 C50 C55 -125.1(3) . . . . ?
C44 P2 C50 C55 117.1(3) . . . . ?
O6 P2 C50 C51 177.9(3) . . . . ?
C56 P2 C50 C51 55.8(4) . . . . ?
C44 P2 C50 C51 -61.9(4) . . . . ?
C55 C50 C51 C52 -0.6(6) . . . . ?
P2 C50 C51 C52 178.5(3) . . . . ?
C50 C51 C52 C53 0.2(7) . . . . ?
C51 C52 C53 C54 -0.2(8) . . . . ?
C52 C53 C54 C55 0.6(7) . . . . ?
C53 C54 C55 C50 -0.9(7) . . . . ?
C51 C50 C55 C54 0.9(6) . . . . ?
P2 C50 C55 C54 -178.2(3) . . . . ?
O6 P2 C56 C57 -104.4(4) . . . . ?
C50 P2 C56 C57 16.2(5) . . . . ?
C44 P2 C56 C57 136.2(4) . . . . ?
O6 P2 C56 C61 70.0(4) . . . . ?
C50 P2 C56 C61 -169.4(3) . . . . ?
C44 P2 C56 C61 -49.4(4) . . . . ?
C61 C56 C57 C58 1.8(8) . . . . ?
P2 C56 C57 C58 176.1(4) . . . . ?
C56 C57 C58 C59 -1.1(9) . . . . ?
C57 C58 C59 C60 -0.6(10) . . . . ?
C58 C59 C60 C61 1.6(9) . . . . ?
C59 C60 C61 C56 -1.0(8) . . . . ?
C57 C56 C61 C60 -0.7(7) . . . . ?
P2 C56 C61 C60 -175.3(4) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
O2W^a H2WB^a O2W^a 0.84 2.79 3.629(17) 175.1 2_775 yes
O1W H1WB N1 0.84 2.22 3.055(5) 173.0 . yes
O1W H1WA O4"^b 0.84 2.03 2.858(9) 168.7 . yes
O1W H1WA O1'^a 0.84 2.66 3.281(8) 131.5 . yes
O2W^a H2WA^a O4'^a 0.84 2.03 2.864(18) 176.1 . yes
O3W^b H3WB^b O1A^b 0.84 1.95 2.73(2) 154.3 . yes

_refine_diff_density_max         1.640
_refine_diff_density_min         -1.301
_refine_diff_density_rms         0.096



_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_21tab22
_database_code_depnum_ccdc_archive 'CCDC 2239616'
loop_
_audit_author_name
_audit_author_address
'Ilya Yakushev'
;Kurnakov Institute of general and inorganic chemistry, RAS
Russia
;
_audit_update_record             
;
2023-02-02 deposited with the CCDC.	2024-11-04 downloaded from the CCDC.
;
_audit_creation_date             2022-01-02
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C75 H81 Dy N5 O4 P2, Cl O4, 0.634(C2 H6 O)'
_chemical_formula_sum            'C76.268 H84.8038 Cl Dy N5 O8.634 P2'
_chemical_formula_weight         1469.53
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   22.8749(7)
_cell_length_b                   28.3369(8)
_cell_length_c                   22.9566(7)
_cell_angle_alpha                90
_cell_angle_beta                 98.4170(10)
_cell_angle_gamma                90
_cell_volume                     14720.3(8)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9505
_cell_measurement_theta_min      2.34
_cell_measurement_theta_max      27.62
_shelx_estimated_absorpt_T_max   0.874
_shelx_estimated_absorpt_T_min   0.669
_exptl_absorpt_coefficient_mu    1.153
_exptl_absorpt_correction_T_max  0.1182
_exptl_absorpt_correction_T_min  0.0814
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1235 before and 0.0559 after correction.
The Ratio of minimum to maximum transmission is 0.6887.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.326
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             6075.9
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0612
_diffrn_reflns_av_unetI/netI     0.0506
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            242798
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.987
_diffrn_reflns_theta_min         1.376
_diffrn_ambient_temperature      150
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                32097
_reflns_number_total             42864
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         0.675
_refine_diff_density_min         -0.915
_refine_diff_density_rms         0.079
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1994
_refine_ls_number_reflns         42864
_refine_ls_number_restraints     742
_refine_ls_R_factor_all          0.0623
_refine_ls_R_factor_gt           0.0371
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0285P)²+9.0058P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0760
_refine_ls_wR_factor_ref         0.0841
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 C55'-C54 \\sim C55-C54
 with sigma of 0.02
 O2"-C1" \\sim O1S-C1S \\sim O1'-C1'
 with sigma of 0.02
 C37'-C36 \\sim C38-C36 \\sim C38'-C36 \\sim C39-C36 \\sim C39'-C36 \\sim
C37-C36
 with sigma of 0.012
 C33'-C32' \\sim C34'-C32' \\sim C35'-C32' \\sim C32-C33 \\sim C35-C32 \\sim
C34-C32
 with sigma of 0.002
 C8-C10 \\sim C8-C10' \\sim C8-C11 \\sim C8-C11' \\sim C9-C8 \\sim C9'-C8
 with sigma of 0.002
 C37"-C36" \\sim C39"-C36" \\sim C38"-C36" \\sim C39A-C36A \\sim C37A-C36A
\\sim C38A-C36A
 with sigma of 0.002
 C57-C52 \\sim C57'-C52
 with sigma of 0.02
 C32"-C33" \\sim C34A-C32A \\sim C32"-C34" \\sim C35A-C32A \\sim C32"-C35"
\\sim C33A-C32A
 with sigma of 0.02
 C29-C28 \\sim C28'-C29
 with sigma of 0.02
 C28'-C27 \\sim C28-C27
 with sigma of 0.02
 C51A-C46A \\sim C51"-C46A
 with sigma of 0.002
 C49A-C48" \\sim C49A-C48A
 with sigma of 0.002
 C51"-C50" \\sim C51A-C50A
 with sigma of 0.002
3. Rigid bond restraints
 C8, C9, C9', C10, C10', C11, C11'
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C46A, C47", C47A, C48", C48A, C49A, C50", C50A, C51", C51A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C32 \\sim C32' \\sim C33 \\sim C33' \\sim C34 \\sim C34' \\sim C35 \\sim C35':
within 2A with sigma of 0.008 and sigma for terminal atoms of 0.016 within 2A
C46A \\sim C47" \\sim C47A \\sim C48" \\sim C48A \\sim C49A \\sim C50" \\sim
C50A \\sim C51" \\sim C51A: within 2A with sigma of 0.012 and sigma for
terminal atoms of 0.024 within 2A
C8 \\sim C9 \\sim C9' \\sim C10 \\sim C10' \\sim C11 \\sim C11': within 1.7A
with sigma of 0.04 and sigma for terminal atoms of 0.08 within 1.7A
C52 \\sim C53 \\sim C54 \\sim C55 \\sim C55' \\sim C56 \\sim C56' \\sim C57
\\sim C57': within 2A with sigma of 0.012 and sigma for terminal atoms of 0.024
within 2A
C30" \\sim C30A \\sim C36" \\sim C36A \\sim C37" \\sim C38" \\sim C38A \\sim
C39" \\sim C39A: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 2A
Uanis(C30A) = Uanis(C30")
5. Rigid body (RIGU) restrains
 C32', C33', C34', C35'
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C8, C9, C9', C10, C10', C11, C11'
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C46A, C47", C47A, C48", C48A, C49A, C50", C50A, C51", C51A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C36", C36A, C37", C38", C38A, C39", C39A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C32, C32', C33, C33', C34, C34', C35, C35'
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Sof(H54A)=Sof(C55')=Sof(H55')=Sof(C56')=Sof(H56')=Sof(C57')=Sof(H57')=1-FVAR(1)
 Sof(H54)=Sof(C55)=Sof(H55)=Sof(C56)=Sof(H56)=Sof(C57)=Sof(H57)=FVAR(1)
 Sof(C37')=Sof(H37D)=Sof(H37E)=Sof(H37F)=Sof(C38')=Sof(H38D)=Sof(H38E)=
 Sof(H38F)=Sof(C39')=Sof(H39D)=Sof(H39E)=Sof(H39F)=1-FVAR(2)
 Sof(C37)=Sof(H37A)=Sof(H37B)=Sof(H37C)=Sof(C38)=Sof(H38A)=Sof(H38B)=Sof(H38C)=
 Sof(C39)=Sof(H39A)=Sof(H39B)=Sof(H39C)=FVAR(2)
 Sof(H27A)=Sof(C28')=Sof(H29A)=Sof(C32')=Sof(C33')=Sof(H33D)=Sof(H33E)=
 Sof(H33F)=Sof(C34')=Sof(H34D)=Sof(H34E)=Sof(H34F)=Sof(C35')=Sof(H35D)=
 Sof(H35E)=Sof(H35F)=1-FVAR(3)
 Sof(H27)=Sof(C28)=Sof(H29)=Sof(C32)=Sof(C33)=Sof(H33A)=Sof(H33B)=Sof(H33C)=
 Sof(C34)=Sof(H34A)=Sof(H34B)=Sof(H34C)=Sof(C35)=Sof(H35A)=Sof(H35B)=Sof(H35C)=
 FVAR(3)
 Sof(C47")=Sof(H47")=Sof(C48")=Sof(H48")=Sof(H49B)=Sof(C50")=Sof(H50")=
 Sof(C51")=Sof(H51")=1-FVAR(4)
 Sof(C47A)=Sof(H47A)=Sof(C48A)=Sof(H48A)=Sof(H49A)=Sof(C50A)=Sof(H50A)=
 Sof(C51A)=Sof(H51A)=FVAR(4)
 Sof(C32")=Sof(C33")=Sof(H33G)=Sof(H33H)=Sof(H33I)=Sof(C34")=Sof(H34G)=
 Sof(H34H)=Sof(H34I)=Sof(C35")=Sof(H35G)=Sof(H35H)=Sof(H35I)=1-FVAR(5)
 Sof(C32A)=Sof(C33A)=Sof(H33J)=Sof(H33K)=Sof(H33L)=Sof(C34A)=Sof(H34J)=
 Sof(H34K)=Sof(H34L)=Sof(C35A)=Sof(H35J)=Sof(H35K)=Sof(H35L)=FVAR(5)
 Sof(C9')=Sof(H9'A)=Sof(H9'B)=Sof(H9'C)=Sof(C10')=Sof(H10D)=Sof(H10E)=
 Sof(H10F)=Sof(C11')=Sof(H11D)=Sof(H11E)=Sof(H11F)=1-FVAR(6)
 Sof(C9)=Sof(H9A)=Sof(H9B)=Sof(H9C)=Sof(C10)=Sof(H10A)=Sof(H10B)=Sof(H10C)=
 Sof(C11)=Sof(H11A)=Sof(H11B)=Sof(H11C)=FVAR(6)
 Sof(H29C)=Sof(C30")=Sof(H31B)=Sof(C36")=Sof(C37")=Sof(H37G)=Sof(H37H)=
 Sof(H37I)=Sof(C38")=Sof(H38G)=Sof(H38H)=Sof(H38I)=Sof(C39")=Sof(H39G)=
 Sof(H39H)=Sof(H39I)=1-FVAR(7)
 Sof(H29B)=Sof(C30A)=Sof(H31A)=Sof(C36A)=Sof(C37A)=Sof(H37J)=Sof(H37K)=
 Sof(H37L)=Sof(C38A)=Sof(H38J)=Sof(H38K)=Sof(H38L)=Sof(C39A)=Sof(H39J)=
 Sof(H39K)=Sof(H39L)=FVAR(7)
 Sof(O1')=Sof(H1')=Sof(C1')=Sof(H1'A)=Sof(H1'B)=Sof(C2')=Sof(H2'A)=Sof(H2'B)=
 Sof(H2'C)=1-FVAR(8)
 Sof(O1S)=Sof(H1S)=Sof(C1S)=Sof(H1SA)=Sof(H1SB)=Sof(C2S)=Sof(H2SA)=Sof(H2SB)=
 Sof(H2SC)=FVAR(8)
 Sof(O2")=Sof(H2")=Sof(C1")=Sof(H1"A)=Sof(H1"B)=Sof(C2")=Sof(H2"A)=Sof(H2"B)=
 Sof(H2"C)=FVAR(9)
7.a Riding coordinates:
 O1'(H1'), O1S(H1S), O2"(H2")
7.b Secondary CH2 refined with riding coordinates:
 C1'(H1'A,H1'B), C1S(H1SA,H1SB), C1"(H1"A,H1"B)
7.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C7(H7), C19(H19), C20(H20), C21(H21), C27(H27), C27(H27A),
 C29(H29A), C29(H29), C31(H31), C41(H41), C42(H42), C43(H43), C44(H44),
 C45(H45), C47(H47), C48(H48), C49(H49), C50(H50), C51(H51), C53(H53), C54(H54),
  C54(H54A), C55(H55), C55'(H55'), C56(H56), C56'(H56'), C57(H57), C57'(H57'),
 C59(H59), C60(H60), C61(H61), C62(H62), C63(H63), C65(H65), C66(H66), C67(H67),
  C68(H68), C69(H69), C71(H71), C72(H72), C73(H73), C74(H74), C75(H75),
 C3A(H3A), C5A(H5A), C7A(H7A), C19A(H19A), C20A(H20A), C21A(H21A), C27A(H27B),
 C29A(H29B), C29A(H29C), C31A(H31A), C31A(H31B), C41A(H41A), C42A(H42A),
 C43A(H43A), C44A(H44A), C45A(H45A), C47"(H47"), C47A(H47A), C48"(H48"),
 C48A(H48A), C49A(H49A), C49A(H49B), C50"(H50"), C50A(H50A), C51"(H51"),
 C51A(H51A), C53A(H53A), C54A(H54B), C55A(H55A), C56A(H56A), C57A(H57A),
 C59A(H59A), C60A(H60A), C61A(H61A), C62A(H62A), C63A(H63A), C65A(H65A),
 C66A(H66A), C67A(H67A), C68A(H68A), C69A(H69A), C71A(H71A), C72A(H72A),
 C73A(H73A), C74A(H74A), C75A(H75A)
7.d Idealised Me refined with riding coordinates:
 C9'(H9'A,H9'B,H9'C)
7.e Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C10'(H10D,H10E,H10F), C11(H11A,H11B,
 H11C), C11'(H11D,H11E,H11F), C13(H13A,H13B,H13C), C14(H14A,H14B,H14C),
 C15(H15A,H15B,H15C), C17(H17A,H17B,H17C), C24(H24A,H24B,H24C), C33(H33A,H33B,
 H33C), C33'(H33D,H33E,H33F), C34(H34A,H34B,H34C), C34'(H34D,H34E,H34F),
 C35(H35A,H35B,H35C), C35'(H35D,H35E,H35F), C37(H37A,H37B,H37C), C37'(H37D,H37E,
 H37F), C38(H38A,H38B,H38C), C38'(H38D,H38E,H38F), C39(H39A,H39B,H39C),
 C39'(H39D,H39E,H39F), C9A(H9AA,H9AB,H9AC), C10A(H10G,H10H,H10I), C11A(H11G,
 H11H,H11I), C13A(H13D,H13E,H13F), C14A(H14D,H14E,H14F), C15A(H15D,H15E,H15F),
 C17A(H17D,H17E,H17F), C24A(H24D,H24E,H24F), C33"(H33G,H33H,H33I), C33A(H33J,
 H33K,H33L), C34"(H34G,H34H,H34I), C34A(H34J,H34K,H34L), C35"(H35G,H35H,H35I),
 C35A(H35J,H35K,H35L), C37"(H37G,H37H,H37I), C37A(H37J,H37K,H37L), C38"(H38G,
 H38H,H38I), C38A(H38J,H38K,H38L), C39"(H39G,H39H,H39I), C39A(H39J,H39K,H39L),
 C2'(H2'A,H2'B,H2'C), C2S(H2SA,H2SB,H2SC), C2"(H2"A,H2"B,H2"C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.73111(2) 0.47034(2) 0.77043(2) 0.02675(3) Uani 1 1 d . . . . .
P1 P 0.61330(3) 0.53184(2) 0.83508(3) 0.03126(14) Uani 1 1 d . . . . .
P2 P 0.82818(3) 0.42561(2) 0.66922(3) 0.03110(14) Uani 1 1 d . . . . .
O1 O 0.74467(8) 0.40575(6) 0.83168(7) 0.0334(4) Uani 1 1 d . . . . .
O2 O 0.79074(8) 0.52426(6) 0.82309(8) 0.0350(4) Uani 1 1 d . . . . .
O3 O 0.65712(7) 0.49858(6) 0.81413(8) 0.0348(4) Uani 1 1 d . . . . .
O4 O 0.80123(8) 0.44025(6) 0.72275(8) 0.0366(4) Uani 1 1 d . . . . .
N1 N 0.66962(10) 0.36393(7) 0.77534(9) 0.0371(5) Uani 1 1 d . . . . .
N2 N 0.66622(9) 0.40376(7) 0.73982(9) 0.0331(5) Uani 1 1 d . . . . .
N3 N 0.66450(9) 0.48063(8) 0.67680(9) 0.0336(5) Uani 1 1 d . . . . .
N4 N 0.73624(10) 0.54720(8) 0.72203(10) 0.0362(5) Uani 1 1 d . . . . .
N5 N 0.77044(10) 0.58229(8) 0.75154(10) 0.0399(5) Uani 1 1 d . . . . .
C1 C 0.71113(12) 0.36946(9) 0.82134(11) 0.0333(5) Uani 1 1 d . . . . .
C2 C 0.71705(13) 0.32857(9) 0.86263(11) 0.0382(6) Uani 1 1 d . . . . .
C3 C 0.77118(15) 0.31816(10) 0.89589(13) 0.0484(7) Uani 1 1 d . . . . .
H3 H 0.804294 0.337999 0.893818 0.058 Uiso 1 1 calc R U . . .
C4 C 0.77699(17) 0.27816(11) 0.93274(14) 0.0559(9) Uani 1 1 d . . . . .
C5 C 0.72678(18) 0.25090(11) 0.93489(14) 0.0588(9) Uani 1 1 d . . . . .
H5 H 0.730220 0.223866 0.959633 0.071 Uiso 1 1 calc R U . . .
C6 C 0.67131(16) 0.26112(9) 0.90252(12) 0.0478(8) Uani 1 1 d . . . . .
C7 C 0.66791(14) 0.29992(9) 0.86543(12) 0.0407(7) Uani 1 1 d . . . . .
H7 H 0.631518 0.307133 0.841507 0.049 Uiso 1 1 calc R U . . .
C8 C 0.83784(18) 0.26486(11) 0.96703(16) 0.0758(11) Uani 1 1 d D U . . .
C9 C 0.8604(4) 0.30576(18) 1.0072(4) 0.148(4) Uani 0.819(7) 1 d D U P A 1
H9A H 0.830278 0.314572 1.031460 0.222 Uiso 0.819(7) 1 calc R U P A 1
H9B H 0.868933 0.332831 0.983248 0.222 Uiso 0.819(7) 1 calc R U P A 1
H9C H 0.896598 0.296169 1.032760 0.222 Uiso 0.819(7) 1 calc R U P A 1
C9' C 0.8843(11) 0.3024(9) 0.9610(17) 0.130(12) Uiso 0.181(7) 1 d D U P A 2
H9'A H 0.869010 0.333510 0.969821 0.194 Uiso 0.181(7) 1 calc R U P A 2
H9'B H 0.893596 0.302274 0.920626 0.194 Uiso 0.181(7) 1 calc R U P A 2
H9'C H 0.920216 0.295643 0.988572 0.194 Uiso 0.181(7) 1 calc R U P A 2
C10 C 0.8796(3) 0.2521(3) 0.9234(3) 0.138(3) Uani 0.819(7) 1 d D U P A 1
H10A H 0.915197 0.237196 0.944452 0.207 Uiso 0.819(7) 1 calc R U P A 1
H10B H 0.890577 0.280766 0.903736 0.207 Uiso 0.819(7) 1 calc R U P A 1
H10C H 0.859783 0.230107 0.893949 0.207 Uiso 0.819(7) 1 calc R U P A 1
C10' C 0.8651(16) 0.2218(9) 0.9415(17) 0.149(15) Uiso 0.181(7) 1 d D U P A 2
H10D H 0.900987 0.231330 0.925880 0.224 Uiso 0.181(7) 1 calc R U P A 2
H10E H 0.836739 0.208363 0.909779 0.224 Uiso 0.181(7) 1 calc R U P A 2
H10F H 0.875193 0.198211 0.972535 0.224 Uiso 0.181(7) 1 calc R U P A 2
C11 C 0.8340(2) 0.22094(17) 1.0047(2) 0.090(2) Uani 0.819(7) 1 d D U P A 1
H11A H 0.873054 0.214000 1.026784 0.136 Uiso 0.819(7) 1 calc R U P A 1
H11B H 0.820665 0.194116 0.979262 0.136 Uiso 0.819(7) 1 calc R U P A 1
H11C H 0.805864 0.226498 1.032322 0.136 Uiso 0.819(7) 1 calc R U P A 1
C11' C 0.8353(17) 0.2690(15) 1.0329(4) 0.146(13) Uiso 0.181(7) 1 d D U P A 2
H11D H 0.824931 0.238353 1.048176 0.219 Uiso 0.181(7) 1 calc R U P A 2
H11E H 0.805475 0.292439 1.039443 0.219 Uiso 0.181(7) 1 calc R U P A 2
H11F H 0.874043 0.278954 1.053242 0.219 Uiso 0.181(7) 1 calc R U P A 2
C12 C 0.61792(18) 0.22982(10) 0.90811(15) 0.0577(9) Uani 1 1 d . . . . .
C13 C 0.6319(2) 0.17871(11) 0.89151(18) 0.0818(14) Uani 1 1 d . . . . .
H13A H 0.599373 0.157948 0.898437 0.123 Uiso 1 1 calc R U . . .
H13B H 0.668511 0.168300 0.915730 0.123 Uiso 1 1 calc R U . . .
H13C H 0.636774 0.177423 0.849830 0.123 Uiso 1 1 calc R U . . .
C14 C 0.56202(17) 0.24555(12) 0.86889(15) 0.0656(10) Uani 1 1 d . . . . .
H14A H 0.568620 0.245100 0.827667 0.098 Uiso 1 1 calc R U . . .
H14B H 0.551786 0.277632 0.879726 0.098 Uiso 1 1 calc R U . . .
H14C H 0.529588 0.224049 0.873977 0.098 Uiso 1 1 calc R U . . .
C15 C 0.60641(19) 0.23087(11) 0.97244(15) 0.0700(11) Uani 1 1 d . . . . .
H15A H 0.595179 0.262886 0.982564 0.105 Uiso 1 1 calc R U . . .
H15B H 0.642363 0.221454 0.998445 0.105 Uiso 1 1 calc R U . . .
H15C H 0.574344 0.208947 0.977301 0.105 Uiso 1 1 calc R U . . .
C16 C 0.62578(12) 0.40416(10) 0.69420(12) 0.0389(6) Uani 1 1 d . . . . .
C17 C 0.58195(15) 0.36533(12) 0.67853(14) 0.0604(9) Uani 1 1 d . . . . .
H17A H 0.588954 0.350555 0.641578 0.091 Uiso 1 1 calc R U . . .
H17B H 0.541839 0.378342 0.673776 0.091 Uiso 1 1 calc R U . . .
H17C H 0.586351 0.341651 0.709990 0.091 Uiso 1 1 calc R U . . .
C18 C 0.62402(12) 0.44737(10) 0.65793(12) 0.0386(6) Uani 1 1 d . . . . .
C19 C 0.58245(14) 0.45385(12) 0.60871(14) 0.0559(9) Uani 1 1 d . . . . .
H19 H 0.553882 0.430146 0.596589 0.067 Uiso 1 1 calc R U . . .
C20 C 0.58303(16) 0.49513(13) 0.57748(15) 0.0654(10) Uani 1 1 d . . . . .
H20 H 0.554592 0.500221 0.543550 0.078 Uiso 1 1 calc R U . . .
C21 C 0.62460(15) 0.52896(12) 0.59523(14) 0.0540(8) Uani 1 1 d . . . . .
H21 H 0.625840 0.557305 0.573340 0.065 Uiso 1 1 calc R U . . .
C22 C 0.66502(12) 0.52118(10) 0.64585(12) 0.0389(6) Uani 1 1 d . . . . .
C23 C 0.70771(12) 0.55741(10) 0.67095(12) 0.0396(6) Uani 1 1 d . . . . .
C24 C 0.71355(17) 0.60305(11) 0.63947(15) 0.0623(9) Uani 1 1 d . . . . .
H24A H 0.727161 0.596790 0.601674 0.093 Uiso 1 1 calc R U . . .
H24B H 0.742223 0.623328 0.663589 0.093 Uiso 1 1 calc R U . . .
H24C H 0.675095 0.618923 0.632542 0.093 Uiso 1 1 calc R U . . .
C25 C 0.79358(12) 0.56731(9) 0.80430(13) 0.0373(6) Uani 1 1 d . . . . .
C26 C 0.82288(12) 0.60359(10) 0.84522(13) 0.0413(7) Uani 1 1 d . . . . .
C27 C 0.82191(16) 0.65074(10) 0.82788(15) 0.0566(9) Uani 1 1 d D . . . .
H27 H 0.799711 0.660000 0.791428 0.068 Uiso 0.530(5) 1 calc R U P B 5
H27A H 0.811050 0.658738 0.787559 0.068 Uiso 0.470(5) 1 calc R U P B 6
C28 C 0.8536(5) 0.6843(4) 0.8641(4) 0.055(3) Uani 0.530(5) 1 d D . P B 5
C28' C 0.8368(6) 0.6862(5) 0.8695(4) 0.054(4) Uani 0.470(5) 1 d D . P B 6
C29 C 0.87186(17) 0.67151(12) 0.92276(16) 0.0635(10) Uani 1 1 d D . . . .
H29A H 0.894258 0.694468 0.946561 0.076 Uiso 0.470(5) 1 calc R U P B 6
H29 H 0.882862 0.695609 0.951004 0.076 Uiso 0.530(5) 1 calc R U P B 5
C30 C 0.87449(15) 0.62493(11) 0.94113(15) 0.0541(8) Uani 1 1 d . . . . .
C31 C 0.84901(13) 0.59104(10) 0.90114(14) 0.0471(7) Uani 1 1 d . . . . .
H31 H 0.849658 0.558799 0.912574 0.057 Uiso 1 1 calc R U . . .
C32 C 0.8564(4) 0.7352(3) 0.8480(4) 0.095(2) Uani 0.530(5) 1 d D U P B 5
C32' C 0.8260(4) 0.7413(4) 0.8505(4) 0.101(3) Uani 0.470(5) 1 d D U P B 6
C33 C 0.8024(8) 0.7513(6) 0.8049(6) 0.130(4) Uani 0.530(5) 1 d D U P B 5
H33A H 0.766357 0.745268 0.822182 0.195 Uiso 0.530(5) 1 calc R U P B 5
H33B H 0.800717 0.733806 0.767928 0.195 Uiso 0.530(5) 1 calc R U P B 5
H33C H 0.805565 0.785165 0.797230 0.195 Uiso 0.530(5) 1 calc R U P B 5
C33' C 0.8023(10) 0.7461(6) 0.7846(4) 0.109(3) Uani 0.470(5) 1 d D U P B 6
H33D H 0.764079 0.729916 0.776009 0.164 Uiso 0.470(5) 1 calc R U P B 6
H33E H 0.830331 0.731770 0.761390 0.164 Uiso 0.470(5) 1 calc R U P B 6
H33F H 0.797216 0.779534 0.774396 0.164 Uiso 0.470(5) 1 calc R U P B 6
C34 C 0.9127(5) 0.7401(3) 0.8193(5) 0.137(3) Uani 0.530(5) 1 d D U P B 5
H34A H 0.913186 0.715537 0.789368 0.206 Uiso 0.530(5) 1 calc R U P B 5
H34B H 0.947491 0.736735 0.849432 0.206 Uiso 0.530(5) 1 calc R U P B 5
H34C H 0.913246 0.771250 0.800791 0.206 Uiso 0.530(5) 1 calc R U P B 5
C34' C 0.8865(5) 0.7656(4) 0.8637(5) 0.127(3) Uani 0.470(5) 1 d D U P B 6
H34D H 0.881261 0.799848 0.860377 0.191 Uiso 0.470(5) 1 calc R U P B 6
H34E H 0.911818 0.754860 0.835359 0.191 Uiso 0.470(5) 1 calc R U P B 6
H34F H 0.904977 0.757544 0.903666 0.191 Uiso 0.470(5) 1 calc R U P B 6
C35 C 0.8593(6) 0.7701(3) 0.8995(4) 0.120(3) Uani 0.530(5) 1 d D U P B 5
H35A H 0.851744 0.802149 0.884054 0.180 Uiso 0.530(5) 1 calc R U P B 5
H35B H 0.898658 0.768866 0.923042 0.180 Uiso 0.530(5) 1 calc R U P B 5
H35C H 0.829444 0.761711 0.924216 0.180 Uiso 0.530(5) 1 calc R U P B 5
C35' C 0.7816(5) 0.7588(3) 0.8897(4) 0.105(3) Uani 0.470(5) 1 d D U P B 6
H35D H 0.798104 0.754144 0.931195 0.158 Uiso 0.470(5) 1 calc R U P B 6
H35E H 0.744685 0.740956 0.880718 0.158 Uiso 0.470(5) 1 calc R U P B 6
H35F H 0.773738 0.792402 0.882336 0.158 Uiso 0.470(5) 1 calc R U P B 6
C36 C 0.90335(16) 0.61090(12) 1.00287(17) 0.0715(11) Uani 1 1 d D . . . .
C37 C 0.9190(3) 0.6487(2) 1.0498(3) 0.066(2) Uani 0.555(5) 1 d D . P C 3
H37A H 0.929138 0.633617 1.088376 0.099 Uiso 0.555(5) 1 calc R U P C 3
H37B H 0.885130 0.669705 1.050437 0.099 Uiso 0.555(5) 1 calc R U P C 3
H37C H 0.952908 0.666976 1.040705 0.099 Uiso 0.555(5) 1 calc R U P C 3
C37' C 0.9671(3) 0.6400(3) 1.0062(4) 0.069(3) Uani 0.445(5) 1 d D . P C 4
H37D H 0.992431 0.632508 1.043271 0.103 Uiso 0.445(5) 1 calc R U P C 4
H37E H 0.959369 0.674056 1.004282 0.103 Uiso 0.445(5) 1 calc R U P C 4
H37F H 0.987055 0.630667 0.973015 0.103 Uiso 0.445(5) 1 calc R U P C 4
C38 C 0.9507(3) 0.5745(2) 1.0048(4) 0.059(2) Uani 0.555(5) 1 d D . P C 3
H38A H 0.986258 0.588888 0.993338 0.088 Uiso 0.555(5) 1 calc R U P C 3
H38B H 0.937102 0.548908 0.977427 0.088 Uiso 0.555(5) 1 calc R U P C 3
H38C H 0.959707 0.561876 1.044809 0.088 Uiso 0.555(5) 1 calc R U P C 3
C38' C 0.9237(4) 0.5612(2) 1.0036(4) 0.0462(19) Uani 0.445(5) 1 d D . P C 4
H38D H 0.942993 0.555197 0.968858 0.069 Uiso 0.445(5) 1 calc R U P C 4
H38E H 0.889754 0.540023 1.002985 0.069 Uiso 0.445(5) 1 calc R U P C 4
H38F H 0.951912 0.555447 1.039313 0.069 Uiso 0.445(5) 1 calc R U P C 4
C39 C 0.8518(2) 0.5812(2) 1.0358(2) 0.0512(16) Uani 0.555(5) 1 d D . P C 3
H39A H 0.840564 0.552055 1.013862 0.077 Uiso 0.555(5) 1 calc R U P C 3
H39B H 0.816754 0.601076 1.035833 0.077 Uiso 0.555(5) 1 calc R U P C 3
H39C H 0.868449 0.573315 1.076371 0.077 Uiso 0.555(5) 1 calc R U P C 3
C39' C 0.8705(4) 0.6326(3) 1.0435(3) 0.062(3) Uani 0.445(5) 1 d D . P C 4
H39D H 0.833782 0.614946 1.044494 0.093 Uiso 0.445(5) 1 calc R U P C 4
H39E H 0.861051 0.665132 1.031161 0.093 Uiso 0.445(5) 1 calc R U P C 4
H39F H 0.893938 0.632561 1.082780 0.093 Uiso 0.445(5) 1 calc R U P C 4
C40 C 0.54209(11) 0.50381(9) 0.82503(10) 0.0308(5) Uani 1 1 d . . . . .
C41 C 0.53904(12) 0.45797(10) 0.80349(11) 0.0363(6) Uani 1 1 d . . . . .
H41 H 0.573285 0.443428 0.792645 0.044 Uiso 1 1 calc R U . . .
C42 C 0.48599(12) 0.43328(10) 0.79775(13) 0.0414(6) Uani 1 1 d . . . . .
H42 H 0.483820 0.402126 0.782295 0.050 Uiso 1 1 calc R U . . .
C43 C 0.43648(12) 0.45404(10) 0.81452(12) 0.0417(6) Uani 1 1 d . . . . .
H43 H 0.400446 0.436912 0.811355 0.050 Uiso 1 1 calc R U . . .
C44 C 0.43921(12) 0.49959(11) 0.83586(13) 0.0426(7) Uani 1 1 d . . . . .
H44 H 0.405103 0.513666 0.847612 0.051 Uiso 1 1 calc R U . . .
C45 C 0.49121(11) 0.52479(10) 0.84022(12) 0.0373(6) Uani 1 1 d . . . . .
H45 H 0.492419 0.556547 0.853606 0.045 Uiso 1 1 calc R U . . .
C46 C 0.60849(12) 0.58617(9) 0.79443(12) 0.0374(6) Uani 1 1 d . . . . .
C47 C 0.57129(15) 0.58903(11) 0.74091(14) 0.0538(8) Uani 1 1 d . . . . .
H47 H 0.545471 0.563635 0.728056 0.065 Uiso 1 1 calc R U . . .
C48 C 0.57206(18) 0.62920(13) 0.70632(16) 0.0690(10) Uani 1 1 d . . . . .
H48 H 0.546622 0.631425 0.669805 0.083 Uiso 1 1 calc R U . . .
C49 C 0.60980(18) 0.66578(12) 0.72514(17) 0.0672(10) Uani 1 1 d . . . . .
H49 H 0.610317 0.693290 0.701570 0.081 Uiso 1 1 calc R U . . .
C50 C 0.64650(16) 0.66261(12) 0.77760(18) 0.0640(10) Uani 1 1 d . . . . .
H50 H 0.672510 0.687935 0.790218 0.077 Uiso 1 1 calc R U . . .
C51 C 0.64612(13) 0.62295(11) 0.81241(15) 0.0490(7) Uani 1 1 d . . . . .
H51 H 0.671829 0.621034 0.848792 0.059 Uiso 1 1 calc R U . . .
C52 C 0.63660(12) 0.54509(9) 0.91151(12) 0.0352(6) Uani 1 1 d D U . . .
C53 C 0.60106(13) 0.56732(11) 0.94676(13) 0.0460(7) Uani 1 1 d . U . . .
H53 H 0.562875 0.577949 0.930080 0.055 Uiso 1 1 calc R U . . .
C54 C 0.62037(15) 0.57429(12) 1.00604(14) 0.0549(8) Uani 1 1 d D U . . .
H54 H 0.596540 0.593249 1.027325 0.066 Uiso 0.600(10) 1 calc R U P D 1
H54A H 0.595250 0.585061 1.032753 0.066 Uiso 0.400(10) 1 calc R U P D 2
C55 C 0.6693(3) 0.5566(3) 1.0352(4) 0.0457(17) Uani 0.600(10) 1 d D U P D 1
H55 H 0.680583 0.561480 1.076270 0.055 Uiso 0.600(10) 1 calc R U P D 1
C55' C 0.6829(5) 0.5636(5) 1.0239(6) 0.047(2) Uani 0.400(10) 1 d D U P D 2
H55' H 0.697571 0.565878 1.064747 0.056 Uiso 0.400(10) 1 calc R U P D 2
C56 C 0.7025(3) 0.5309(2) 1.0021(2) 0.0451(14) Uani 0.600(10) 1 d . U P D 1
H56 H 0.738297 0.517174 1.020718 0.054 Uiso 0.600(10) 1 calc R U P D 1
C56' C 0.7230(4) 0.5504(4) 0.9869(4) 0.048(2) Uani 0.400(10) 1 d . U P D 2
H56' H 0.763937 0.547060 1.000967 0.058 Uiso 0.400(10) 1 calc R U P D 2
C57 C 0.6857(3) 0.5240(2) 0.9417(3) 0.0394(13) Uani 0.600(10) 1 d D U P D 1
H57 H 0.709032 0.504047 0.920976 0.047 Uiso 0.600(10) 1 calc R U P D 1
C57' C 0.7004(4) 0.5424(4) 0.9285(4) 0.0419(19) Uani 0.400(10) 1 d D U P D 2
H57' H 0.725662 0.535292 0.900342 0.050 Uiso 0.400(10) 1 calc R U P D 2
C58 C 0.87234(11) 0.37382(8) 0.68673(11) 0.0309(5) Uani 1 1 d . . . . .
C59 C 0.90757(12) 0.35509(9) 0.64787(12) 0.0376(6) Uani 1 1 d . . . . .
H59 H 0.906863 0.368906 0.610066 0.045 Uiso 1 1 calc R U . . .
C60 C 0.94344(13) 0.31676(10) 0.66360(13) 0.0426(7) Uani 1 1 d . . . . .
H60 H 0.967490 0.304345 0.636852 0.051 Uiso 1 1 calc R U . . .
C61 C 0.94431(14) 0.29646(10) 0.71827(14) 0.0486(7) Uani 1 1 d . . . . .
H61 H 0.969793 0.270528 0.729559 0.058 Uiso 1 1 calc R U . . .
C62 C 0.90827(16) 0.31367(11) 0.75678(14) 0.0556(9) Uani 1 1 d . . . . .
H62 H 0.908389 0.299103 0.794069 0.067 Uiso 1 1 calc R U . . .
C63 C 0.87194(14) 0.35219(10) 0.74103(12) 0.0449(7) Uani 1 1 d . . . . .
H63 H 0.846826 0.363762 0.767297 0.054 Uiso 1 1 calc R U . . .
C64 C 0.77205(12) 0.41168(10) 0.60903(12) 0.0390(6) Uani 1 1 d . . . . .
C65 C 0.74173(15) 0.36957(11) 0.61065(15) 0.0571(9) Uani 1 1 d . . . . .
H65 H 0.754982 0.346852 0.640060 0.068 Uiso 1 1 calc R U . . .
C66 C 0.69229(18) 0.36019(14) 0.56989(19) 0.0788(13) Uani 1 1 d . . . . .
H66 H 0.671862 0.331104 0.571162 0.095 Uiso 1 1 calc R U . . .
C67 C 0.67300(19) 0.39307(17) 0.52771(19) 0.0836(13) Uani 1 1 d . . . . .
H67 H 0.639278 0.386669 0.499438 0.100 Uiso 1 1 calc R U . . .
C68 C 0.70229(18) 0.43531(18) 0.52617(17) 0.0841(14) Uani 1 1 d . . . . .
H68 H 0.688589 0.457927 0.496773 0.101 Uiso 1 1 calc R U . . .
C69 C 0.75147(15) 0.44524(14) 0.56690(15) 0.0632(10) Uani 1 1 d . . . . .
H69 H 0.771007 0.474766 0.566073 0.076 Uiso 1 1 calc R U . . .
C70 C 0.87305(11) 0.47280(8) 0.64809(11) 0.0310(5) Uani 1 1 d . . . . .
C71 C 0.88087(12) 0.51208(9) 0.68487(12) 0.0380(6) Uani 1 1 d . . . . .
H71 H 0.862981 0.512937 0.719684 0.046 Uiso 1 1 calc R U . . .
C72 C 0.91461(13) 0.54993(10) 0.67092(13) 0.0447(7) Uani 1 1 d . . . . .
H72 H 0.920365 0.576477 0.696397 0.054 Uiso 1 1 calc R U . . .
C73 C 0.93989(12) 0.54888(9) 0.61970(13) 0.0405(6) Uani 1 1 d . . . . .
H73 H 0.962665 0.574929 0.609792 0.049 Uiso 1 1 calc R U . . .
C74 C 0.93209(12) 0.50999(9) 0.58287(12) 0.0369(6) Uani 1 1 d . . . . .
H74 H 0.949713 0.509442 0.547886 0.044 Uiso 1 1 calc R U . . .
C75 C 0.89875(11) 0.47189(9) 0.59667(12) 0.0344(6) Uani 1 1 d . . . . .
H75 H 0.893435 0.445290 0.571253 0.041 Uiso 1 1 calc R U . . .
Dy2 Dy 0.22677(2) 0.48113(2) 0.77947(2) 0.01888(3) Uani 1 1 d . . . . .
P1A P 0.31743(3) 0.43827(2) 0.66880(3) 0.02755(13) Uani 1 1 d . . . . .
P2A P 0.10494(3) 0.53578(2) 0.84651(3) 0.02678(13) Uani 1 1 d . . . . .
O1A O 0.29208(7) 0.52771(5) 0.83793(7) 0.0261(3) Uani 1 1 d . . . . .
O2A O 0.23731(7) 0.41096(5) 0.82883(7) 0.0261(3) Uani 1 1 d . . . . .
O3A O 0.28932(7) 0.45548(6) 0.72038(7) 0.0309(4) Uani 1 1 d . . . . .
O4A O 0.15297(7) 0.50799(6) 0.82408(7) 0.0307(4) Uani 1 1 d . . . . .
N1A N 0.28310(9) 0.58999(7) 0.77125(8) 0.0279(4) Uani 1 1 d . . . . .
N2A N 0.24118(8) 0.56037(6) 0.74041(8) 0.0238(4) Uani 1 1 d . . . . .
N3A N 0.16239(8) 0.50170(6) 0.68771(8) 0.0234(4) Uani 1 1 d . . . . .
N4A N 0.15666(8) 0.41967(6) 0.74030(8) 0.0240(4) Uani 1 1 d . . . . .
N5A N 0.15625(9) 0.37738(6) 0.77089(9) 0.0276(4) Uani 1 1 d . . . . .
C1A C 0.30609(10) 0.56937(8) 0.82105(10) 0.0244(5) Uani 1 1 d . . . . .
C2A C 0.35171(10) 0.59682(8) 0.86005(10) 0.0254(5) Uani 1 1 d . . . . .
C3A C 0.36537(10) 0.58442(8) 0.91870(10) 0.0258(5) Uani 1 1 d . . . . .
H3A H 0.345470 0.558658 0.933593 0.031 Uiso 1 1 calc R U . . .
C4A C 0.40816(10) 0.60934(8) 0.95639(10) 0.0259(5) Uani 1 1 d . . . . .
C5A C 0.43686(11) 0.64588(8) 0.93237(10) 0.0290(5) Uani 1 1 d . . . . .
H5A H 0.466227 0.662964 0.957391 0.035 Uiso 1 1 calc R U . . .
C6A C 0.42476(11) 0.65893(8) 0.87307(11) 0.0296(5) Uani 1 1 d . . . . .
C7A C 0.38158(10) 0.63414(8) 0.83733(10) 0.0284(5) Uani 1 1 d . . . . .
H7A H 0.372044 0.642456 0.796966 0.034 Uiso 1 1 calc R U . . .
C8A C 0.42407(11) 0.59474(8) 1.02099(10) 0.0297(5) Uani 1 1 d . . . . .
C9A C 0.45531(11) 0.54710(9) 1.02252(11) 0.0340(6) Uani 1 1 d . . . . .
H9AA H 0.490539 0.549833 1.003052 0.051 Uiso 1 1 calc R U . . .
H9AB H 0.428471 0.523543 1.001971 0.051 Uiso 1 1 calc R U . . .
H9AC H 0.467001 0.537326 1.063517 0.051 Uiso 1 1 calc R U . . .
C10A C 0.36765(14) 0.59013(13) 1.04926(13) 0.0567(9) Uani 1 1 d . . . . .
H10G H 0.342479 0.565378 1.029060 0.085 Uiso 1 1 calc R U . . .
H10H H 0.346279 0.620215 1.045855 0.085 Uiso 1 1 calc R U . . .
H10I H 0.378103 0.581868 1.090933 0.085 Uiso 1 1 calc R U . . .
C11A C 0.46464(17) 0.63044(10) 1.05643(13) 0.0598(10) Uani 1 1 d . . . . .
H11G H 0.471248 0.621018 1.097952 0.090 Uiso 1 1 calc R U . . .
H11H H 0.446189 0.661720 1.052759 0.090 Uiso 1 1 calc R U . . .
H11I H 0.502551 0.631532 1.041368 0.090 Uiso 1 1 calc R U . . .
C12A C 0.45991(12) 0.69936(9) 0.85084(12) 0.0369(6) Uani 1 1 d . . . . .
C13A C 0.44822(15) 0.74496(10) 0.88466(16) 0.0587(9) Uani 1 1 d . . . . .
H13D H 0.406030 0.752664 0.877016 0.088 Uiso 1 1 calc R U . . .
H13E H 0.471114 0.771046 0.871369 0.088 Uiso 1 1 calc R U . . .
H13F H 0.460139 0.739995 0.926983 0.088 Uiso 1 1 calc R U . . .
C14A C 0.44335(17) 0.70857(13) 0.78585(14) 0.0739(12) Uani 1 1 d . . . . .
H14D H 0.452189 0.680568 0.763651 0.111 Uiso 1 1 calc R U . . .
H14E H 0.466061 0.735490 0.774422 0.111 Uiso 1 1 calc R U . . .
H14F H 0.401031 0.715645 0.777213 0.111 Uiso 1 1 calc R U . . .
C15A C 0.52559(13) 0.68847(12) 0.86420(15) 0.0563(9) Uani 1 1 d . . . . .
H15D H 0.536658 0.683564 0.906643 0.084 Uiso 1 1 calc R U . . .
H15E H 0.548198 0.714970 0.851516 0.084 Uiso 1 1 calc R U . . .
H15F H 0.534240 0.659850 0.843068 0.084 Uiso 1 1 calc R U . . .
C16A C 0.21381(11) 0.57575(8) 0.69066(10) 0.0297(5) Uani 1 1 d . . . . .
C17A C 0.22483(15) 0.62239(10) 0.66417(13) 0.0558(9) Uani 1 1 d . . . . .
H17D H 0.189645 0.642286 0.663044 0.084 Uiso 1 1 calc R U . . .
H17E H 0.233601 0.617710 0.624046 0.084 Uiso 1 1 calc R U . . .
H17F H 0.258496 0.637813 0.688024 0.084 Uiso 1 1 calc R U . . .
C18A C 0.16809(10) 0.54353(8) 0.66100(10) 0.0270(5) Uani 1 1 d . . . . .
C19A C 0.13184(11) 0.55597(9) 0.60928(11) 0.0329(6) Uani 1 1 d . . . . .
H19A H 0.136628 0.585470 0.590886 0.040 Uiso 1 1 calc R U . . .
C20A C 0.08881(12) 0.52469(9) 0.58518(11) 0.0354(6) Uani 1 1 d . . . . .
H20A H 0.063567 0.532581 0.549904 0.042 Uiso 1 1 calc R U . . .
C21A C 0.08241(11) 0.48188(8) 0.61234(11) 0.0312(5) Uani 1 1 d . . . . .
H21A H 0.052716 0.460188 0.596224 0.037 Uiso 1 1 calc R U . . .
C22A C 0.12019(10) 0.47115(8) 0.66365(10) 0.0253(5) Uani 1 1 d . . . . .
C23A C 0.11645(10) 0.42599(8) 0.69520(10) 0.0277(5) Uani 1 1 d . . . . .
C24A C 0.06803(13) 0.39170(9) 0.67455(13) 0.0451(7) Uani 1 1 d . . . . .
H24D H 0.072385 0.363623 0.699731 0.068 Uiso 1 1 calc R U . . .
H24E H 0.070341 0.382544 0.633782 0.068 Uiso 1 1 calc R U . . .
H24F H 0.029661 0.406497 0.676609 0.068 Uiso 1 1 calc R U . . .
C25A C 0.20013(10) 0.37697(8) 0.81523(10) 0.0251(5) Uani 1 1 d . . . . .
C26A C 0.20655(11) 0.33259(8) 0.85076(10) 0.0285(5) Uani 1 1 d . . . . .
C27A C 0.16097(11) 0.29965(8) 0.84598(11) 0.0298(5) Uani 1 1 d . . . . .
H27B H 0.125971 0.305227 0.819080 0.036 Uiso 1 1 calc R U . . .
C28A C 0.16562(13) 0.25895(8) 0.87964(12) 0.0365(6) Uani 1 1 d . . . . .
C29A C 0.21799(15) 0.25149(9) 0.91703(13) 0.0479(8) Uani 1 1 d . . . . .
H29B H 0.222649 0.223486 0.939986 0.058 Uiso 0.813(6) 1 calc R U P E 13
H29C H 0.220071 0.222492 0.937993 0.058 Uiso 0.187(6) 1 calc R U P E 14
C30" C 0.274(2) 0.283(2) 0.930(3) 0.0543(15) Uani 0.187(6) 1 d . U P E 14
C30A C 0.2626(5) 0.2831(4) 0.9216(5) 0.0543(15) Uani 0.813(6) 1 d . U P E 13
C31A C 0.25752(14) 0.32444(10) 0.88940(13) 0.0484(8) Uani 1 1 d . . . . .
H31A H 0.288685 0.346904 0.893828 0.058 Uiso 0.813(6) 1 calc R U P E 13
H31B H 0.286730 0.348399 0.890659 0.058 Uiso 0.187(6) 1 calc R U P E 14
C32" C 0.1083(8) 0.2203(6) 0.8640(6) 0.032(5) Uiso 0.202(5) 1 d D . P F 12
C32A C 0.1166(2) 0.22425(14) 0.8821(2) 0.0449(11) Uani 0.798(5) 1 d D . P F 11
C33" C 0.0503(10) 0.2440(9) 0.8732(10) 0.061(6) Uiso 0.202(5) 1 d D . P F 12
H33G H 0.018072 0.220913 0.866364 0.091 Uiso 0.202(5) 1 calc R U P F 12
H33H H 0.041973 0.270283 0.845542 0.091 Uiso 0.202(5) 1 calc R U P F 12
H33I H 0.053616 0.255847 0.913651 0.091 Uiso 0.202(5) 1 calc R U P F 12
C33A C 0.0599(2) 0.24117(19) 0.8453(3) 0.090(3) Uani 0.798(5) 1 d D . P F 11
H33J H 0.065868 0.243868 0.804027 0.134 Uiso 0.798(5) 1 calc R U P F 11
H33K H 0.049025 0.272056 0.859651 0.134 Uiso 0.798(5) 1 calc R U P F 11
H33L H 0.028173 0.218492 0.848508 0.134 Uiso 0.798(5) 1 calc R U P F 11
C34" C 0.1181(7) 0.1793(5) 0.9075(7) 0.048(4) Uiso 0.202(5) 1 d D . P F 12
H34G H 0.124701 0.191575 0.947783 0.071 Uiso 0.202(5) 1 calc R U P F 12
H34H H 0.152801 0.161101 0.900137 0.071 Uiso 0.202(5) 1 calc R U P F 12
H34I H 0.083261 0.158766 0.902356 0.071 Uiso 0.202(5) 1 calc R U P F 12
C34A C 0.1037(2) 0.21758(16) 0.9452(2) 0.0768(17) Uani 0.798(5) 1 d D . P F 11
H34J H 0.072733 0.193721 0.945630 0.115 Uiso 0.798(5) 1 calc R U P F 11
H34K H 0.090354 0.247571 0.960020 0.115 Uiso 0.798(5) 1 calc R U P F 11
H34L H 0.139692 0.207194 0.970456 0.115 Uiso 0.798(5) 1 calc R U P F 11
C35" C 0.0986(7) 0.2014(5) 0.8012(6) 0.050(4) Uiso 0.202(5) 1 d D . P F 12
H35G H 0.064393 0.180231 0.796032 0.075 Uiso 0.202(5) 1 calc R U P F 12
H35H H 0.133807 0.184097 0.793691 0.075 Uiso 0.202(5) 1 calc R U P F 12
H35I H 0.091370 0.227826 0.773490 0.075 Uiso 0.202(5) 1 calc R U P F 12
C35A C 0.1345(2) 0.17613(13) 0.8597(2) 0.0669(15) Uani 0.798(5) 1 d D . P F 11
H35J H 0.102533 0.153411 0.861395 0.100 Uiso 0.798(5) 1 calc R U P F 11
H35K H 0.170439 0.165024 0.884482 0.100 Uiso 0.798(5) 1 calc R U P F 11
H35L H 0.142072 0.179224 0.818939 0.100 Uiso 0.798(5) 1 calc R U P F 11
C36" C 0.3350(7) 0.2663(5) 0.9472(7) 0.039(4) Uani 0.187(6) 1 d D U P E 14
C36A C 0.3164(3) 0.27658(14) 0.9728(2) 0.086(2) Uani 0.813(6) 1 d D U P E 13
C37" C 0.3320(15) 0.2431(15) 1.0065(10) 0.121(12) Uani 0.187(6) 1 d D U P E 14
H37G H 0.367858 0.224474 1.018357 0.181 Uiso 0.187(6) 1 calc R U P E 14
H37H H 0.297352 0.222336 1.003304 0.181 Uiso 0.187(6) 1 calc R U P E 14
H37I H 0.328709 0.267492 1.036117 0.181 Uiso 0.187(6) 1 calc R U P E 14
C37A C 0.3205(4) 0.2259(2) 0.9952(4) 0.147(5) Uani 0.813(6) 1 d D . P E 13
H37J H 0.286416 0.218941 1.015185 0.220 Uiso 0.813(6) 1 calc R U P E 13
H37K H 0.356996 0.221853 1.022920 0.220 Uiso 0.813(6) 1 calc R U P E 13
H37L H 0.320624 0.204246 0.961920 0.220 Uiso 0.813(6) 1 calc R U P E 13
C38" C 0.3556(10) 0.2234(8) 0.9156(11) 0.112(9) Uani 0.187(6) 1 d D U P E 14
H38G H 0.356346 0.231197 0.874164 0.168 Uiso 0.187(6) 1 calc R U P E 14
H38H H 0.328249 0.197103 0.918247 0.168 Uiso 0.187(6) 1 calc R U P E 14
H38I H 0.395305 0.214343 0.934180 0.168 Uiso 0.187(6) 1 calc R U P E 14
C38A C 0.3125(3) 0.31068(19) 1.0234(2) 0.108(2) Uani 0.813(6) 1 d D U P E 13
H38J H 0.311704 0.343171 1.008653 0.163 Uiso 0.813(6) 1 calc R U P E 13
H38K H 0.346937 0.306412 1.053726 0.163 Uiso 0.813(6) 1 calc R U P E 13
H38L H 0.276333 0.304392 1.040273 0.163 Uiso 0.813(6) 1 calc R U P E 13
C39" C 0.3800(11) 0.3055(8) 0.9445(16) 0.066(7) Uani 0.187(6) 1 d D U P E 14
H39G H 0.413841 0.300589 0.975384 0.099 Uiso 0.187(6) 1 calc R U P E 14
H39H H 0.361624 0.336052 0.950612 0.099 Uiso 0.187(6) 1 calc R U P E 14
H39I H 0.393409 0.305263 0.905915 0.099 Uiso 0.187(6) 1 calc R U P E 14
C39A C 0.3720(3) 0.2868(3) 0.9458(4) 0.114(3) Uani 0.813(6) 1 d D U P E 13
H39J H 0.375503 0.263747 0.914640 0.170 Uiso 0.813(6) 1 calc R U P E 13
H39K H 0.406638 0.284515 0.976283 0.170 Uiso 0.813(6) 1 calc R U P E 13
H39L H 0.369613 0.318654 0.929027 0.170 Uiso 0.813(6) 1 calc R U P E 13
C40A C 0.36767(11) 0.48217(9) 0.64987(11) 0.0303(5) Uani 1 1 d . . . . .
C41A C 0.37606(13) 0.52227(9) 0.68467(12) 0.0394(6) Uani 1 1 d . . . . .
H41A H 0.356649 0.525120 0.718369 0.047 Uiso 1 1 calc R U . . .
C42A C 0.41268(14) 0.55832(10) 0.67056(14) 0.0473(7) Uani 1 1 d . . . . .
H42A H 0.418437 0.585669 0.694651 0.057 Uiso 1 1 calc R U . . .
C43A C 0.44060(13) 0.55432(11) 0.62163(14) 0.0497(8) Uani 1 1 d . . . . .
H43A H 0.465746 0.578875 0.611911 0.060 Uiso 1 1 calc R U . . .
C44A C 0.43210(15) 0.51498(12) 0.58705(15) 0.0600(9) Uani 1 1 d . . . . .
H44A H 0.451535 0.512411 0.553335 0.072 Uiso 1 1 calc R U . . .
C45A C 0.39558(14) 0.47878(11) 0.60038(13) 0.0506(8) Uani 1 1 d . . . . .
H45A H 0.389698 0.451764 0.575721 0.061 Uiso 1 1 calc R U . . .
C46A C 0.26355(12) 0.42824(9) 0.60520(12) 0.0364(6) Uani 1 1 d D U . . .
C47" C 0.2583(6) 0.4502(5) 0.5501(6) 0.059(2) Uani 0.297(5) 1 d . U P G 10
H47" H 0.285793 0.474889 0.547181 0.071 Uiso 0.297(5) 1 calc R U P G 10
C47A C 0.23985(18) 0.46658(15) 0.57340(18) 0.0357(9) Uani 0.703(5) 1 d . U P G
9
H47A H 0.253533 0.497619 0.583334 0.043 Uiso 0.703(5) 1 calc R U P G 9
C48" C 0.2201(4) 0.4416(4) 0.5003(6) 0.070(2) Uani 0.297(5) 1 d D U P G 10
H48" H 0.224712 0.453071 0.462318 0.084 Uiso 0.297(5) 1 calc R U P G 10
C48A C 0.19531(18) 0.45870(15) 0.52632(18) 0.0420(10) Uani 0.703(5) 1 d D U P G
9
H48A H 0.179465 0.484760 0.503183 0.050 Uiso 0.703(5) 1 calc R U P G 9
C49A C 0.17334(18) 0.41379(13) 0.51214(17) 0.0736(11) Uani 1 1 d D U . . .
H49A H 0.142772 0.408615 0.480045 0.088 Uiso 0.703(5) 1 calc R U P G 9
H49B H 0.139196 0.413319 0.483088 0.088 Uiso 0.297(5) 1 calc R U P G 10
C50" C 0.1712(5) 0.3862(5) 0.5628(5) 0.055(2) Uani 0.297(5) 1 d D U P G 10
H50" H 0.141616 0.363367 0.566584 0.066 Uiso 0.297(5) 1 calc R U P G 10
C50A C 0.1972(4) 0.3782(2) 0.5457(3) 0.103(2) Uani 0.703(5) 1 d D U P G 9
H50A H 0.182178 0.347361 0.536992 0.123 Uiso 0.703(5) 1 calc R U P G 9
C51" C 0.2181(4) 0.3967(3) 0.6066(5) 0.045(2) Uani 0.297(5) 1 d D U P G 10
H51" H 0.218828 0.379765 0.642386 0.054 Uiso 0.297(5) 1 calc R U P G 10
C51A C 0.2425(3) 0.38348(16) 0.5927(3) 0.090(2) Uani 0.703(5) 1 d D U P G 9
H51A H 0.258331 0.357101 0.615200 0.108 Uiso 0.703(5) 1 calc R U P G 9
C52A C 0.35371(11) 0.38335(9) 0.68801(11) 0.0328(6) Uani 1 1 d . . . . .
C53A C 0.39046(16) 0.36218(11) 0.65258(15) 0.0629(10) Uani 1 1 d . . . . .
H53A H 0.397780 0.377339 0.617453 0.075 Uiso 1 1 calc R U . . .
C54A C 0.41628(18) 0.31935(12) 0.66823(17) 0.0761(13) Uani 1 1 d . . . . .
H54B H 0.440908 0.304782 0.643542 0.091 Uiso 1 1 calc R U . . .
C55A C 0.40665(17) 0.29746(12) 0.71947(17) 0.0667(11) Uani 1 1 d . . . . .
H55A H 0.425300 0.268174 0.730418 0.080 Uiso 1 1 calc R U . . .
C56A C 0.37009(15) 0.31783(10) 0.75492(15) 0.0563(9) Uani 1 1 d . . . . .
H56A H 0.363212 0.302550 0.790117 0.068 Uiso 1 1 calc R U . . .
C57A C 0.34335(13) 0.36076(9) 0.73902(12) 0.0385(6) Uani 1 1 d . . . . .
H57A H 0.317808 0.374747 0.763228 0.046 Uiso 1 1 calc R U . . .
C58A C 0.12637(11) 0.54947(9) 0.92285(11) 0.0317(5) Uani 1 1 d . . . . .
C59A C 0.08760(15) 0.54864(13) 0.96300(13) 0.0562(9) Uani 1 1 d . . . . .
H59A H 0.047150 0.541837 0.949896 0.067 Uiso 1 1 calc R U . . .
C60A C 0.10578(19) 0.55743(14) 1.02200(14) 0.0725(11) Uani 1 1 d . . . . .
H60A H 0.078028 0.557040 1.048996 0.087 Uiso 1 1 calc R U . . .
C61A C 0.16329(18) 0.56657(12) 1.04102(14) 0.0617(10) Uani 1 1 d . . . . .
H61A H 0.176391 0.571421 1.081794 0.074 Uiso 1 1 calc R U . . .
C62A C 0.20248(16) 0.56886(16) 1.00208(18) 0.0897(16) Uani 1 1 d . . . . .
H62A H 0.242555 0.576730 1.015524 0.108 Uiso 1 1 calc R U . . .
C63A C 0.18444(14) 0.55978(15) 0.94273(16) 0.0741(13) Uani 1 1 d . . . . .
H63A H 0.212330 0.560712 0.915887 0.089 Uiso 1 1 calc R U . . .
C64A C 0.09022(11) 0.58979(9) 0.80676(11) 0.0325(5) Uani 1 1 d . . . . .
C65A C 0.10184(17) 0.63340(11) 0.83235(15) 0.0664(11) Uani 1 1 d . . . . .
H65A H 0.115206 0.635600 0.873439 0.080 Uiso 1 1 calc R U . . .
C66A C 0.0942(2) 0.67399(12) 0.79868(17) 0.0870(15) Uani 1 1 d . . . . .
H66A H 0.102346 0.703923 0.816688 0.104 Uiso 1 1 calc R U . . .
C67A C 0.07482(16) 0.67114(11) 0.73908(15) 0.0623(10) Uani 1 1 d . . . . .
H67A H 0.070369 0.699056 0.715942 0.075 Uiso 1 1 calc R U . . .
C68A C 0.06196(14) 0.62817(11) 0.71315(13) 0.0486(7) Uani 1 1 d . . . . .
H68A H 0.047958 0.626326 0.672162 0.058 Uiso 1 1 calc R U . . .
C69A C 0.06931(12) 0.58746(10) 0.74654(12) 0.0400(6) Uani 1 1 d . . . . .
H69A H 0.060090 0.557708 0.728426 0.048 Uiso 1 1 calc R U . . .
C70A C 0.03811(10) 0.50208(9) 0.83766(10) 0.0306(5) Uani 1 1 d . . . . .
C71A C 0.04065(12) 0.45456(10) 0.82414(12) 0.0395(6) Uani 1 1 d . . . . .
H71A H 0.077302 0.440544 0.819106 0.047 Uiso 1 1 calc R U . . .
C72A C -0.01061(13) 0.42735(11) 0.81792(13) 0.0488(8) Uani 1 1 d . . . . .
H72A H -0.009006 0.394793 0.808416 0.059 Uiso 1 1 calc R U . . .
C73A C -0.06351(13) 0.44771(13) 0.82556(13) 0.0513(8) Uani 1 1 d . . . . .
H73A H -0.098315 0.428985 0.821715 0.062 Uiso 1 1 calc R U . . .
C74A C -0.06652(12) 0.49488(13) 0.83870(13) 0.0509(8) Uani 1 1 d . . . . .
H74A H -0.103258 0.508517 0.844182 0.061 Uiso 1 1 calc R U . . .
C75A C -0.01619(11) 0.52256(11) 0.84396(12) 0.0406(6) Uani 1 1 d . . . . .
H75A H -0.018538 0.555366 0.851839 0.049 Uiso 1 1 calc R U . . .
Cl11 Cl 0.97809(3) 0.37119(2) 0.49717(3) 0.03430(13) Uani 1 1 d . . . . .
O11 O 0.91801(9) 0.38117(7) 0.50534(9) 0.0498(5) Uani 1 1 d . . . . .
O12 O 1.00020(10) 0.33282(8) 0.53453(9) 0.0583(6) Uani 1 1 d . . . . .
O13 O 0.97883(9) 0.35981(7) 0.43658(8) 0.0466(5) Uani 1 1 d . . . . .
O14 O 1.01236(11) 0.41332(8) 0.51169(10) 0.0660(7) Uani 1 1 d . . . . .
Cl21 Cl 0.53579(3) 0.62416(2) 0.50267(3) 0.03979(15) Uani 1 1 d . . . . .
O21 O 0.51029(12) 0.65101(9) 0.45382(11) 0.0767(8) Uani 1 1 d . . . . .
O22 O 0.53042(14) 0.64544(10) 0.55681(11) 0.0856(9) Uani 1 1 d . . . . .
O23 O 0.51101(12) 0.57710(8) 0.50096(11) 0.0723(7) Uani 1 1 d . . . . .
O24 O 0.59791(10) 0.61789(9) 0.49855(11) 0.0672(7) Uani 1 1 d . . . . .
O1' O 0.6878(5) 0.2669(4) 0.7207(5) 0.067(3) Uani 0.309(7) 1 d D . P H 8
H1' H 0.685988 0.292798 0.738080 0.100 Uiso 0.309(7) 1 d R U P H 8
O1S O 0.6989(3) 0.28771(17) 0.7024(2) 0.0795(17) Uani 0.691(7) 1 d D . P H 7
H1S H 0.694644 0.307468 0.728778 0.119 Uiso 0.691(7) 1 d R U P H 7
C1' C 0.7270(6) 0.2351(5) 0.7580(7) 0.065(4) Uani 0.309(7) 1 d D . P H 8
H1'A H 0.714038 0.233755 0.797235 0.078 Uiso 0.309(7) 1 calc R U P H 8
H1'B H 0.722946 0.203045 0.740818 0.078 Uiso 0.309(7) 1 calc R U P H 8
C1S C 0.7348(3) 0.2501(3) 0.7268(5) 0.096(3) Uani 0.691(7) 1 d D . P H 7
H1SA H 0.713574 0.231320 0.753428 0.116 Uiso 0.691(7) 1 calc R U P H 7
H1SB H 0.771436 0.262664 0.750035 0.116 Uiso 0.691(7) 1 calc R U P H 7
C2' C 0.7875(6) 0.2483(6) 0.7652(7) 0.099(6) Uani 0.309(7) 1 d . . P H 8
H2'A H 0.802309 0.245676 0.727334 0.149 Uiso 0.309(7) 1 calc R U P H 8
H2'B H 0.810347 0.227447 0.794009 0.149 Uiso 0.309(7) 1 calc R U P H 8
H2'C H 0.791694 0.281025 0.779136 0.149 Uiso 0.309(7) 1 calc R U P H 8
C2S C 0.7499(3) 0.2197(2) 0.6777(4) 0.135(4) Uani 0.691(7) 1 d . . P H 7
H2SA H 0.713779 0.212386 0.650624 0.203 Uiso 0.691(7) 1 calc R U P H 7
H2SB H 0.768072 0.190312 0.693943 0.203 Uiso 0.691(7) 1 calc R U P H 7
H2SC H 0.777626 0.236499 0.656341 0.203 Uiso 0.691(7) 1 calc R U P H 7
O2" O 0.7142(4) 0.2559(3) 0.6056(4) 0.062(3) Uani 0.268(4) 1 d D . P I 8
H2" H 0.708406 0.259994 0.640526 0.093 Uiso 0.268(4) 1 d R U P I 8
C1" C 0.7118(6) 0.2089(4) 0.5835(5) 0.056(3) Uani 0.268(4) 1 d D . P I 8
H1"A H 0.716426 0.209437 0.541334 0.067 Uiso 0.268(4) 1 calc R U P I 8
H1"B H 0.672629 0.195155 0.586831 0.067 Uiso 0.268(4) 1 calc R U P I 8
C2" C 0.7583(6) 0.1792(5) 0.6160(6) 0.065(4) Uani 0.268(4) 1 d . . P I 8
H2"A H 0.756533 0.147550 0.598624 0.097 Uiso 0.268(4) 1 calc R U P I 8
H2"B H 0.752338 0.177013 0.657341 0.097 Uiso 0.268(4) 1 calc R U P I 8
H2"C H 0.797077 0.193222 0.613720 0.097 Uiso 0.268(4) 1 calc R U P I 8


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.3013(17) . ?
Dy1 O2 2.2746(17) . ?
Dy1 O3 2.2379(17) . ?
Dy1 O4 2.2388(17) . ?
Dy1 N2 2.440(2) . ?
Dy1 N3 2.463(2) . ?
Dy1 N4 2.456(2) . ?
P1 O3 1.5051(18) . ?
P1 C40 1.797(3) . ?
P1 C46 1.795(3) . ?
P1 C52 1.797(3) . ?
P2 O4 1.5114(18) . ?
P2 C58 1.794(3) . ?
P2 C64 1.787(3) . ?
P2 C70 1.795(2) . ?
O1 C1 1.284(3) . ?
O2 C25 1.299(3) . ?
N1 N2 1.388(3) . ?
N1 C1 1.322(3) . ?
N2 C16 1.292(3) . ?
N3 C18 1.348(3) . ?
N3 C22 1.352(3) . ?
N4 N5 1.380(3) . ?
N4 C23 1.289(3) . ?
N5 C25 1.319(4) . ?
C1 C2 1.491(3) . ?
C2 C3 1.388(4) . ?
C2 C7 1.396(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.409(4) . ?
C4 C5 1.391(5) . ?
C4 C8 1.542(5) . ?
C5 H5 0.9500 . ?
C5 C6 1.403(5) . ?
C6 C7 1.386(4) . ?
C6 C12 1.530(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.524(3) . ?
C8 C9' 1.525(3) . ?
C8 C10 1.525(3) . ?
C8 C10' 1.525(3) . ?
C8 C11 1.525(3) . ?
C8 C11' 1.525(3) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C9' H9'A 0.9800 . ?
C9' H9'B 0.9800 . ?
C9' H9'C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C10' H10D 0.9800 . ?
C10' H10E 0.9800 . ?
C10' H10F 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C11' H11D 0.9800 . ?
C11' H11E 0.9800 . ?
C11' H11F 0.9800 . ?
C12 C13 1.543(4) . ?
C12 C14 1.519(5) . ?
C12 C15 1.538(4) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.497(4) . ?
C16 C18 1.478(4) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.378(4) . ?
C19 H19 0.9500 . ?
C19 C20 1.373(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.370(5) . ?
C21 H21 0.9500 . ?
C21 C22 1.393(4) . ?
C22 C23 1.475(4) . ?
C23 C24 1.497(4) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.485(4) . ?
C26 C27 1.393(4) . ?
C26 C31 1.381(4) . ?
C27 H27 0.9500 . ?
C27 H27A 0.9500 . ?
C27 C28 1.396(10) . ?
C27 C28' 1.395(11) . ?
C28 C29 1.397(10) . ?
C28 C32 1.492(15) . ?
C28' C29 1.423(11) . ?
C28' C32' 1.628(18) . ?
C29 H29A 0.9500 . ?
C29 H29 0.9500 . ?
C29 C30 1.384(5) . ?
C30 C31 1.396(4) . ?
C30 C36 1.526(5) . ?
C31 H31 0.9500 . ?
C32 C33 1.536(4) . ?
C32 C34 1.535(4) . ?
C32 C35 1.535(4) . ?
C32' C33' 1.536(4) . ?
C32' C34' 1.535(4) . ?
C32' C35' 1.535(4) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C33' H33D 0.9800 . ?
C33' H33E 0.9800 . ?
C33' H33F 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C34' H34D 0.9800 . ?
C34' H34E 0.9800 . ?
C34' H34F 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C35' H35D 0.9800 . ?
C35' H35E 0.9800 . ?
C35' H35F 0.9800 . ?
C36 C37 1.523(5) . ?
C36 C37' 1.668(6) . ?
C36 C38 1.490(6) . ?
C36 C38' 1.484(6) . ?
C36 C39 1.713(6) . ?
C36 C39' 1.420(6) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C37' H37D 0.9800 . ?
C37' H37E 0.9800 . ?
C37' H37F 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C38' H38D 0.9800 . ?
C38' H38E 0.9800 . ?
C38' H38F 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C39' H39D 0.9800 . ?
C39' H39E 0.9800 . ?
C39' H39F 0.9800 . ?
C40 C41 1.388(4) . ?
C40 C45 1.396(3) . ?
C41 H41 0.9500 . ?
C41 C42 1.390(4) . ?
C42 H42 0.9500 . ?
C42 C43 1.380(4) . ?
C43 H43 0.9500 . ?
C43 C44 1.379(4) . ?
C44 H44 0.9500 . ?
C44 C45 1.378(4) . ?
C45 H45 0.9500 . ?
C46 C47 1.391(4) . ?
C46 C51 1.376(4) . ?
C47 H47 0.9500 . ?
C47 C48 1.389(4) . ?
C48 H48 0.9500 . ?
C48 C49 1.377(5) . ?
C49 H49 0.9500 . ?
C49 C50 1.367(5) . ?
C50 H50 0.9500 . ?
C50 C51 1.380(4) . ?
C51 H51 0.9500 . ?
C52 C53 1.380(4) . ?
C52 C57 1.368(6) . ?
C52 C57' 1.456(8) . ?
C53 H53 0.9500 . ?
C53 C54 1.382(4) . ?
C54 H54 0.9500 . ?
C54 H54A 0.9500 . ?
C54 C55 1.316(8) . ?
C54 C55' 1.461(11) . ?
C55 H55 0.9500 . ?
C55 C56 1.363(11) . ?
C55' H55' 0.9500 . ?
C55' C56' 1.390(15) . ?
C56 H56 0.9500 . ?
C56 C57 1.398(7) . ?
C56' H56' 0.9500 . ?
C56' C57' 1.383(11) . ?
C57 H57 0.9500 . ?
C57' H57' 0.9500 . ?
C58 C59 1.392(3) . ?
C58 C63 1.390(3) . ?
C59 H59 0.9500 . ?
C59 C60 1.377(4) . ?
C60 H60 0.9500 . ?
C60 C61 1.378(4) . ?
C61 H61 0.9500 . ?
C61 C62 1.383(4) . ?
C62 H62 0.9500 . ?
C62 C63 1.387(4) . ?
C63 H63 0.9500 . ?
C64 C65 1.383(4) . ?
C64 C69 1.389(4) . ?
C65 H65 0.9500 . ?
C65 C66 1.384(4) . ?
C66 H66 0.9500 . ?
C66 C67 1.369(6) . ?
C67 H67 0.9500 . ?
C67 C68 1.375(6) . ?
C68 H68 0.9500 . ?
C68 C69 1.382(5) . ?
C69 H69 0.9500 . ?
C70 C71 1.393(3) . ?
C70 C75 1.394(3) . ?
C71 H71 0.9500 . ?
C71 C72 1.386(4) . ?
C72 H72 0.9500 . ?
C72 C73 1.385(4) . ?
C73 H73 0.9500 . ?
C73 C74 1.385(4) . ?
C74 H74 0.9500 . ?
C74 C75 1.385(3) . ?
C75 H75 0.9500 . ?
Dy2 O1A 2.2779(15) . ?
Dy2 O2A 2.2839(15) . ?
Dy2 O3A 2.2325(15) . ?
Dy2 O4A 2.2326(15) . ?
Dy2 N2A 2.4578(18) . ?
Dy2 N3A 2.4571(18) . ?
Dy2 N4A 2.4478(18) . ?
P1A O3A 1.5087(16) . ?
P1A C40A 1.790(2) . ?
P1A C46A 1.790(3) . ?
P1A C52A 1.788(2) . ?
P2A O4A 1.5026(16) . ?
P2A C58A 1.792(3) . ?
P2A C64A 1.788(3) . ?
P2A C70A 1.789(3) . ?
O1A C1A 1.297(3) . ?
O2A C25A 1.292(3) . ?
N1A N2A 1.388(3) . ?
N1A C1A 1.322(3) . ?
N2A C16A 1.295(3) . ?
N3A C18A 1.350(3) . ?
N3A C22A 1.353(3) . ?
N4A N5A 1.390(2) . ?
N4A C23A 1.293(3) . ?
N5A C25A 1.321(3) . ?
C1A C2A 1.491(3) . ?
C2A C3A 1.382(3) . ?
C2A C7A 1.401(3) . ?
C3A H3A 0.9500 . ?
C3A C4A 1.399(3) . ?
C4A C5A 1.383(3) . ?
C4A C8A 1.531(3) . ?
C5A H5A 0.9500 . ?
C5A C6A 1.399(3) . ?
C6A C7A 1.380(3) . ?
C6A C12A 1.530(3) . ?
C7A H7A 0.9500 . ?
C8A C9A 1.525(3) . ?
C8A C10A 1.533(4) . ?
C8A C11A 1.525(4) . ?
C9A H9AA 0.9800 . ?
C9A H9AB 0.9800 . ?
C9A H9AC 0.9800 . ?
C10A H10G 0.9800 . ?
C10A H10H 0.9800 . ?
C10A H10I 0.9800 . ?
C11A H11G 0.9800 . ?
C11A H11H 0.9800 . ?
C11A H11I 0.9800 . ?
C12A C13A 1.551(4) . ?
C12A C14A 1.507(4) . ?
C12A C15A 1.520(4) . ?
C13A H13D 0.9800 . ?
C13A H13E 0.9800 . ?
C13A H13F 0.9800 . ?
C14A H14D 0.9800 . ?
C14A H14E 0.9800 . ?
C14A H14F 0.9800 . ?
C15A H15D 0.9800 . ?
C15A H15E 0.9800 . ?
C15A H15F 0.9800 . ?
C16A C17A 1.492(3) . ?
C16A C18A 1.477(3) . ?
C17A H17D 0.9800 . ?
C17A H17E 0.9800 . ?
C17A H17F 0.9800 . ?
C18A C19A 1.391(3) . ?
C19A H19A 0.9500 . ?
C19A C20A 1.379(3) . ?
C20A H20A 0.9500 . ?
C20A C21A 1.382(3) . ?
C21A H21A 0.9500 . ?
C21A C22A 1.389(3) . ?
C22A C23A 1.479(3) . ?
C23A C24A 1.497(3) . ?
C24A H24D 0.9800 . ?
C24A H24E 0.9800 . ?
C24A H24F 0.9800 . ?
C25A C26A 1.494(3) . ?
C26A C27A 1.392(3) . ?
C26A C31A 1.377(4) . ?
C27A H27B 0.9500 . ?
C27A C28A 1.384(3) . ?
C28A C29A 1.384(4) . ?
C28A C32" 1.705(19) . ?
C28A C32A 1.498(5) . ?
C29A H29B 0.9500 . ?
C29A H29C 0.9500 . ?
C29A C30" 1.55(5) . ?
C29A C30A 1.350(11) . ?
C30" C31A 1.51(5) . ?
C30" C36" 1.47(5) . ?
C30A C31A 1.382(11) . ?
C30A C36A 1.582(8) . ?
C31A H31A 0.9500 . ?
C31A H31B 0.9500 . ?
C32" C33" 1.529(14) . ?
C32" C34" 1.529(13) . ?
C32" C35" 1.523(13) . ?
C32A C33A 1.519(6) . ?
C32A C34A 1.534(6) . ?
C32A C35A 1.534(6) . ?
C33" H33G 0.9800 . ?
C33" H33H 0.9800 . ?
C33" H33I 0.9800 . ?
C33A H33J 0.9800 . ?
C33A H33K 0.9800 . ?
C33A H33L 0.9800 . ?
C34" H34G 0.9800 . ?
C34" H34H 0.9800 . ?
C34" H34I 0.9800 . ?
C34A H34J 0.9800 . ?
C34A H34K 0.9800 . ?
C34A H34L 0.9800 . ?
C35" H35G 0.9800 . ?
C35" H35H 0.9800 . ?
C35" H35I 0.9800 . ?
C35A H35J 0.9800 . ?
C35A H35K 0.9800 . ?
C35A H35L 0.9800 . ?
C36" C37" 1.523(4) . ?
C36" C38" 1.523(4) . ?
C36" C39" 1.523(4) . ?
C36A C37A 1.524(4) . ?
C36A C38A 1.523(4) . ?
C36A C39A 1.522(4) . ?
C37" H37G 0.9800 . ?
C37" H37H 0.9800 . ?
C37" H37I 0.9800 . ?
C37A H37J 0.9800 . ?
C37A H37K 0.9800 . ?
C37A H37L 0.9800 . ?
C38" H38G 0.9800 . ?
C38" H38H 0.9800 . ?
C38" H38I 0.9800 . ?
C38A H38J 0.9800 . ?
C38A H38K 0.9800 . ?
C38A H38L 0.9800 . ?
C39" H39G 0.9800 . ?
C39" H39H 0.9800 . ?
C39" H39I 0.9800 . ?
C39A H39J 0.9800 . ?
C39A H39K 0.9800 . ?
C39A H39L 0.9800 . ?
C40A C41A 1.386(3) . ?
C40A C45A 1.386(3) . ?
C41A H41A 0.9500 . ?
C41A C42A 1.389(4) . ?
C42A H42A 0.9500 . ?
C42A C43A 1.376(4) . ?
C43A H43A 0.9500 . ?
C43A C44A 1.366(4) . ?
C44A H44A 0.9500 . ?
C44A C45A 1.385(4) . ?
C45A H45A 0.9500 . ?
C46A C47" 1.398(12) . ?
C46A C47A 1.375(5) . ?
C46A C51" 1.375(5) . ?
C46A C51A 1.372(5) . ?
C47" H47" 0.9500 . ?
C47" C48" 1.358(15) . ?
C47A H47A 0.9500 . ?
C47A C48A 1.391(5) . ?
C48" H48" 0.9500 . ?
C48" C49A 1.387(5) . ?
C48A H48A 0.9500 . ?
C48A C49A 1.389(5) . ?
C49A H49A 0.9500 . ?
C49A H49B 0.9500 . ?
C49A C50" 1.408(16) . ?
C49A C50A 1.336(7) . ?
C50" H50" 0.9500 . ?
C50" C51" 1.390(6) . ?
C50A H50A 0.9500 . ?
C50A C51A 1.390(6) . ?
C51" H51" 0.9500 . ?
C51A H51A 0.9500 . ?
C52A C53A 1.389(4) . ?
C52A C57A 1.385(3) . ?
C53A H53A 0.9500 . ?
C53A C54A 1.374(4) . ?
C54A H54B 0.9500 . ?
C54A C55A 1.376(5) . ?
C55A H55A 0.9500 . ?
C55A C56A 1.376(4) . ?
C56A H56A 0.9500 . ?
C56A C57A 1.386(4) . ?
C57A H57A 0.9500 . ?
C58A C59A 1.370(4) . ?
C58A C63A 1.371(4) . ?
C59A H59A 0.9500 . ?
C59A C60A 1.380(4) . ?
C60A H60A 0.9500 . ?
C60A C61A 1.349(5) . ?
C61A H61A 0.9500 . ?
C61A C62A 1.357(5) . ?
C62A H62A 0.9500 . ?
C62A C63A 1.389(5) . ?
C63A H63A 0.9500 . ?
C64A C65A 1.377(4) . ?
C64A C69A 1.397(4) . ?
C65A H65A 0.9500 . ?
C65A C66A 1.383(4) . ?
C66A H66A 0.9500 . ?
C66A C67A 1.377(5) . ?
C67A H67A 0.9500 . ?
C67A C68A 1.368(4) . ?
C68A H68A 0.9500 . ?
C68A C69A 1.381(4) . ?
C69A H69A 0.9500 . ?
C70A C71A 1.385(4) . ?
C70A C75A 1.398(3) . ?
C71A H71A 0.9500 . ?
C71A C72A 1.393(4) . ?
C72A H72A 0.9500 . ?
C72A C73A 1.375(4) . ?
C73A H73A 0.9500 . ?
C73A C74A 1.374(5) . ?
C74A H74A 0.9500 . ?
C74A C75A 1.384(4) . ?
C75A H75A 0.9500 . ?
Cl11 O11 1.442(2) . ?
Cl11 O12 1.431(2) . ?
Cl11 O13 1.4304(18) . ?
Cl11 O14 1.440(2) . ?
Cl21 O21 1.409(2) . ?
Cl21 O22 1.403(2) . ?
Cl21 O23 1.447(2) . ?
Cl21 O24 1.449(2) . ?
O1' H1' 0.8402 . ?
O1' C1' 1.456(13) . ?
O1S H1S 0.8399 . ?
O1S C1S 1.410(8) . ?
C1' H1'A 0.9900 . ?
C1' H1'B 0.9900 . ?
C1' C2' 1.421(18) . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?
C1S C2S 1.500(11) . ?
C2' H2'A 0.9800 . ?
C2' H2'B 0.9800 . ?
C2' H2'C 0.9800 . ?
C2S H2SA 0.9800 . ?
C2S H2SB 0.9800 . ?
C2S H2SC 0.9800 . ?
O2" H2" 0.8400 . ?
O2" C1" 1.422(11) . ?
C1" H1"A 0.9900 . ?
C1" H1"B 0.9900 . ?
C1" C2" 1.472(16) . ?
C2" H2"A 0.9800 . ?
C2" H2"B 0.9800 . ?
C2" H2"C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 N2 65.34(6) . . ?
O1 Dy1 N3 129.65(6) . . ?
O1 Dy1 N4 166.12(7) . . ?
O2 Dy1 O1 101.12(6) . . ?
O2 Dy1 N2 164.77(7) . . ?
O2 Dy1 N3 129.08(7) . . ?
O2 Dy1 N4 65.17(7) . . ?
O3 Dy1 O1 93.08(6) . . ?
O3 Dy1 O2 87.46(6) . . ?
O3 Dy1 O4 176.71(6) . . ?
O3 Dy1 N2 86.41(7) . . ?
O3 Dy1 N3 86.39(7) . . ?
O3 Dy1 N4 88.58(7) . . ?
O4 Dy1 O1 87.34(6) . . ?
O4 Dy1 O2 95.67(6) . . ?
O4 Dy1 N2 90.80(7) . . ?
O4 Dy1 N3 90.82(7) . . ?
O4 Dy1 N4 91.80(7) . . ?
N2 Dy1 N3 64.38(7) . . ?
N2 Dy1 N4 128.53(7) . . ?
N4 Dy1 N3 64.19(7) . . ?
O3 P1 C40 108.41(11) . . ?
O3 P1 C46 111.35(11) . . ?
O3 P1 C52 109.06(11) . . ?
C40 P1 C52 110.58(12) . . ?
C46 P1 C40 109.08(12) . . ?
C46 P1 C52 108.37(13) . . ?
O4 P2 C58 109.02(11) . . ?
O4 P2 C64 110.92(12) . . ?
O4 P2 C70 109.42(11) . . ?
C58 P2 C70 110.14(12) . . ?
C64 P2 C58 108.06(12) . . ?
C64 P2 C70 109.27(13) . . ?
C1 O1 Dy1 120.03(16) . . ?
C25 O2 Dy1 120.65(17) . . ?
P1 O3 Dy1 161.77(12) . . ?
P2 O4 Dy1 155.34(12) . . ?
C1 N1 N2 110.2(2) . . ?
N1 N2 Dy1 118.70(15) . . ?
C16 N2 Dy1 124.05(18) . . ?
C16 N2 N1 117.1(2) . . ?
C18 N3 Dy1 120.38(17) . . ?
C18 N3 C22 119.0(2) . . ?
C22 N3 Dy1 120.49(17) . . ?
N5 N4 Dy1 118.55(16) . . ?
C23 N4 Dy1 124.02(18) . . ?
C23 N4 N5 117.4(2) . . ?
C25 N5 N4 110.0(2) . . ?
O1 C1 N1 125.6(2) . . ?
O1 C1 C2 120.6(2) . . ?
N1 C1 C2 113.8(2) . . ?
C3 C2 C1 120.4(3) . . ?
C3 C2 C7 120.7(3) . . ?
C7 C2 C1 118.9(3) . . ?
C2 C3 H3 120.0 . . ?
C2 C3 C4 120.0(3) . . ?
C4 C3 H3 120.0 . . ?
C3 C4 C8 120.1(3) . . ?
C5 C4 C3 117.5(3) . . ?
C5 C4 C8 122.3(3) . . ?
C4 C5 H5 118.2 . . ?
C4 C5 C6 123.6(3) . . ?
C6 C5 H5 118.2 . . ?
C5 C6 C12 120.5(3) . . ?
C7 C6 C5 117.0(3) . . ?
C7 C6 C12 122.5(3) . . ?
C2 C7 H7 119.4 . . ?
C6 C7 C2 121.1(3) . . ?
C6 C7 H7 119.4 . . ?
C9 C8 C4 108.9(3) . . ?
C9 C8 C10 112.9(6) . . ?
C9 C8 C11 108.6(4) . . ?
C9' C8 C4 111.8(14) . . ?
C10 C8 C4 109.1(3) . . ?
C10 C8 C11 105.8(4) . . ?
C10' C8 C4 112.9(16) . . ?
C10' C8 C9' 101.1(19) . . ?
C10' C8 C11' 121(2) . . ?
C11 C8 C4 111.5(3) . . ?
C11' C8 C4 109.0(15) . . ?
C11' C8 C9' 99.4(19) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C9' H9'A 109.5 . . ?
C8 C9' H9'B 109.5 . . ?
C8 C9' H9'C 109.5 . . ?
H9'A C9' H9'B 109.5 . . ?
H9'A C9' H9'C 109.5 . . ?
H9'B C9' H9'C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C10' H10D 109.5 . . ?
C8 C10' H10E 109.5 . . ?
C8 C10' H10F 109.5 . . ?
H10D C10' H10E 109.5 . . ?
H10D C10' H10F 109.5 . . ?
H10E C10' H10F 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C8 C11' H11D 109.5 . . ?
C8 C11' H11E 109.5 . . ?
C8 C11' H11F 109.5 . . ?
H11D C11' H11E 109.5 . . ?
H11D C11' H11F 109.5 . . ?
H11E C11' H11F 109.5 . . ?
C6 C12 C13 109.0(3) . . ?
C6 C12 C15 108.7(3) . . ?
C14 C12 C6 113.2(3) . . ?
C14 C12 C13 108.4(3) . . ?
C14 C12 C15 108.4(3) . . ?
C15 C12 C13 109.0(3) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N2 C16 C17 124.3(3) . . ?
N2 C16 C18 114.9(2) . . ?
C18 C16 C17 120.8(2) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N3 C18 C16 116.0(2) . . ?
N3 C18 C19 122.0(3) . . ?
C19 C18 C16 122.1(3) . . ?
C18 C19 H19 120.5 . . ?
C20 C19 C18 118.9(3) . . ?
C20 C19 H19 120.5 . . ?
C19 C20 H20 120.0 . . ?
C21 C20 C19 120.0(3) . . ?
C21 C20 H20 120.0 . . ?
C20 C21 H21 120.5 . . ?
C20 C21 C22 119.0(3) . . ?
C22 C21 H21 120.5 . . ?
N3 C22 C21 121.2(3) . . ?
N3 C22 C23 116.3(2) . . ?
C21 C22 C23 122.5(3) . . ?
N4 C23 C22 114.7(2) . . ?
N4 C23 C24 124.3(3) . . ?
C22 C23 C24 120.9(3) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O2 C25 N5 125.1(2) . . ?
O2 C25 C26 118.7(3) . . ?
N5 C25 C26 116.2(2) . . ?
C27 C26 C25 119.8(3) . . ?
C31 C26 C25 120.2(3) . . ?
C31 C26 C27 119.9(3) . . ?
C26 C27 H27 120.0 . . ?
C26 C27 H27A 119.9 . . ?
C26 C27 C28 119.9(6) . . ?
C26 C27 C28' 120.2(6) . . ?
C28 C27 H27 120.0 . . ?
C28' C27 H27A 119.9 . . ?
C27 C28 C29 116.9(8) . . ?
C27 C28 C32 123.3(9) . . ?
C29 C28 C32 118.2(7) . . ?
C27 C28' C29 115.3(9) . . ?
C27 C28' C32' 119.6(8) . . ?
C29 C28' C32' 123.8(8) . . ?
C28 C29 H29 118.8 . . ?
C28' C29 H29A 118.8 . . ?
C30 C29 C28 122.4(5) . . ?
C30 C29 C28' 122.4(6) . . ?
C30 C29 H29A 118.8 . . ?
C30 C29 H29 118.8 . . ?
C29 C30 C31 117.4(3) . . ?
C29 C30 C36 121.7(3) . . ?
C31 C30 C36 120.9(3) . . ?
C26 C31 C30 121.1(3) . . ?
C26 C31 H31 119.5 . . ?
C30 C31 H31 119.5 . . ?
C28 C32 C33 112.8(10) . . ?
C28 C32 C34 105.3(8) . . ?
C28 C32 C35 115.5(7) . . ?
C34 C32 C33 110.0(11) . . ?
C35 C32 C33 104.1(9) . . ?
C35 C32 C34 109.1(8) . . ?
C33' C32' C28' 111.5(9) . . ?
C34' C32' C28' 106.2(8) . . ?
C34' C32' C33' 109.5(12) . . ?
C35' C32' C28' 103.9(8) . . ?
C35' C32' C33' 112.3(10) . . ?
C35' C32' C34' 113.2(9) . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32' C33' H33D 109.5 . . ?
C32' C33' H33E 109.5 . . ?
C32' C33' H33F 109.5 . . ?
H33D C33' H33E 109.5 . . ?
H33D C33' H33F 109.5 . . ?
H33E C33' H33F 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C32' C34' H34D 109.5 . . ?
C32' C34' H34E 109.5 . . ?
C32' C34' H34F 109.5 . . ?
H34D C34' H34E 109.5 . . ?
H34D C34' H34F 109.5 . . ?
H34E C34' H34F 109.5 . . ?
C32 C35 H35A 109.5 . . ?
C32 C35 H35B 109.5 . . ?
C32 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C32' C35' H35D 109.5 . . ?
C32' C35' H35E 109.5 . . ?
C32' C35' H35F 109.5 . . ?
H35D C35' H35E 109.5 . . ?
H35D C35' H35F 109.5 . . ?
H35E C35' H35F 109.5 . . ?
C30 C36 C37' 99.8(4) . . ?
C30 C36 C39 107.8(3) . . ?
C37 C36 C30 119.9(4) . . ?
C37 C36 C39 98.1(4) . . ?
C38 C36 C30 114.9(4) . . ?
C38 C36 C37 111.7(5) . . ?
C38 C36 C39 101.0(4) . . ?
C38' C36 C30 110.5(4) . . ?
C38' C36 C37' 101.4(5) . . ?
C39' C36 C30 107.4(4) . . ?
C39' C36 C37' 107.4(5) . . ?
C39' C36 C38' 126.8(6) . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C36 C37' H37D 109.5 . . ?
C36 C37' H37E 109.5 . . ?
C36 C37' H37F 109.5 . . ?
H37D C37' H37E 109.5 . . ?
H37D C37' H37F 109.5 . . ?
H37E C37' H37F 109.5 . . ?
C36 C38 H38A 109.5 . . ?
C36 C38 H38B 109.5 . . ?
C36 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C36 C38' H38D 109.5 . . ?
C36 C38' H38E 109.5 . . ?
C36 C38' H38F 109.5 . . ?
H38D C38' H38E 109.5 . . ?
H38D C38' H38F 109.5 . . ?
H38E C38' H38F 109.5 . . ?
C36 C39 H39A 109.5 . . ?
C36 C39 H39B 109.5 . . ?
C36 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C36 C39' H39D 109.5 . . ?
C36 C39' H39E 109.5 . . ?
C36 C39' H39F 109.5 . . ?
H39D C39' H39E 109.5 . . ?
H39D C39' H39F 109.5 . . ?
H39E C39' H39F 109.5 . . ?
C41 C40 P1 117.18(19) . . ?
C41 C40 C45 119.2(2) . . ?
C45 C40 P1 123.6(2) . . ?
C40 C41 H41 119.9 . . ?
C40 C41 C42 120.2(2) . . ?
C42 C41 H41 119.9 . . ?
C41 C42 H42 120.0 . . ?
C43 C42 C41 120.0(3) . . ?
C43 C42 H42 120.0 . . ?
C42 C43 H43 119.9 . . ?
C44 C43 C42 120.1(3) . . ?
C44 C43 H43 119.9 . . ?
C43 C44 H44 119.8 . . ?
C45 C44 C43 120.3(3) . . ?
C45 C44 H44 119.8 . . ?
C40 C45 H45 119.9 . . ?
C44 C45 C40 120.2(3) . . ?
C44 C45 H45 119.9 . . ?
C47 C46 P1 119.5(2) . . ?
C51 C46 P1 120.4(2) . . ?
C51 C46 C47 119.7(3) . . ?
C46 C47 H47 120.2 . . ?
C48 C47 C46 119.7(3) . . ?
C48 C47 H47 120.2 . . ?
C47 C48 H48 120.1 . . ?
C49 C48 C47 119.8(3) . . ?
C49 C48 H48 120.1 . . ?
C48 C49 H49 119.9 . . ?
C50 C49 C48 120.2(3) . . ?
C50 C49 H49 119.9 . . ?
C49 C50 H50 119.7 . . ?
C49 C50 C51 120.6(3) . . ?
C51 C50 H50 119.7 . . ?
C46 C51 C50 120.0(3) . . ?
C46 C51 H51 120.0 . . ?
C50 C51 H51 120.0 . . ?
C53 C52 P1 123.5(2) . . ?
C53 C52 C57' 121.3(4) . . ?
C57 C52 P1 120.4(3) . . ?
C57 C52 C53 114.4(3) . . ?
C57' C52 P1 113.1(4) . . ?
C52 C53 H53 119.6 . . ?
C52 C53 C54 120.8(3) . . ?
C54 C53 H53 119.6 . . ?
C53 C54 H54 117.5 . . ?
C53 C54 H54A 123.0 . . ?
C53 C54 C55' 113.9(6) . . ?
C55 C54 C53 124.9(5) . . ?
C55 C54 H54 117.5 . . ?
C55' C54 H54A 123.0 . . ?
C54 C55 H55 122.5 . . ?
C54 C55 C56 114.9(7) . . ?
C56 C55 H55 122.5 . . ?
C54 C55' H55' 116.9 . . ?
C56' C55' C54 126.2(10) . . ?
C56' C55' H55' 116.9 . . ?
C55 C56 H56 118.8 . . ?
C55 C56 C57 122.3(5) . . ?
C57 C56 H56 118.8 . . ?
C55' C56' H56' 121.6 . . ?
C57' C56' C55' 116.8(8) . . ?
C57' C56' H56' 121.6 . . ?
C52 C57 C56 121.8(5) . . ?
C52 C57 H57 119.1 . . ?
C56 C57 H57 119.1 . . ?
C52 C57' H57' 121.0 . . ?
C56' C57' C52 118.0(7) . . ?
C56' C57' H57' 121.0 . . ?
C59 C58 P2 121.89(19) . . ?
C63 C58 P2 119.0(2) . . ?
C63 C58 C59 119.1(2) . . ?
C58 C59 H59 119.6 . . ?
C60 C59 C58 120.7(3) . . ?
C60 C59 H59 119.6 . . ?
C59 C60 H60 120.1 . . ?
C59 C60 C61 119.8(3) . . ?
C61 C60 H60 120.1 . . ?
C60 C61 H61 119.9 . . ?
C60 C61 C62 120.3(3) . . ?
C62 C61 H61 119.9 . . ?
C61 C62 H62 120.0 . . ?
C61 C62 C63 120.1(3) . . ?
C63 C62 H62 120.0 . . ?
C58 C63 H63 120.1 . . ?
C62 C63 C58 119.9(3) . . ?
C62 C63 H63 120.1 . . ?
C65 C64 P2 118.4(2) . . ?
C65 C64 C69 119.3(3) . . ?
C69 C64 P2 121.3(3) . . ?
C64 C65 H65 119.6 . . ?
C64 C65 C66 120.7(3) . . ?
C66 C65 H65 119.6 . . ?
C65 C66 H66 120.2 . . ?
C67 C66 C65 119.6(4) . . ?
C67 C66 H66 120.2 . . ?
C66 C67 H67 119.9 . . ?
C66 C67 C68 120.2(4) . . ?
C68 C67 H67 119.9 . . ?
C67 C68 H68 119.6 . . ?
C67 C68 C69 120.8(4) . . ?
C69 C68 H68 119.6 . . ?
C64 C69 H69 120.3 . . ?
C68 C69 C64 119.4(4) . . ?
C68 C69 H69 120.3 . . ?
C71 C70 P2 117.34(19) . . ?
C71 C70 C75 119.7(2) . . ?
C75 C70 P2 122.93(19) . . ?
C70 C71 H71 119.8 . . ?
C72 C71 C70 120.3(2) . . ?
C72 C71 H71 119.8 . . ?
C71 C72 H72 120.2 . . ?
C73 C72 C71 119.7(3) . . ?
C73 C72 H72 120.2 . . ?
C72 C73 H73 119.9 . . ?
C72 C73 C74 120.2(3) . . ?
C74 C73 H73 119.9 . . ?
C73 C74 H74 119.8 . . ?
C73 C74 C75 120.5(2) . . ?
C75 C74 H74 119.8 . . ?
C70 C75 H75 120.2 . . ?
C74 C75 C70 119.6(2) . . ?
C74 C75 H75 120.2 . . ?
O1A Dy2 O2A 101.52(5) . . ?
O1A Dy2 N2A 64.79(6) . . ?
O1A Dy2 N3A 128.82(6) . . ?
O1A Dy2 N4A 165.17(6) . . ?
O2A Dy2 N2A 165.09(6) . . ?
O2A Dy2 N3A 129.67(6) . . ?
O2A Dy2 N4A 65.08(6) . . ?
O3A Dy2 O1A 97.08(6) . . ?
O3A Dy2 O2A 89.28(6) . . ?
O3A Dy2 O4A 169.96(6) . . ?
O3A Dy2 N2A 86.77(6) . . ?
O3A Dy2 N3A 85.03(6) . . ?
O3A Dy2 N4A 89.36(6) . . ?
O4A Dy2 O1A 90.40(6) . . ?
O4A Dy2 O2A 95.81(6) . . ?
O4A Dy2 N2A 90.39(6) . . ?
O4A Dy2 N3A 85.06(6) . . ?
O4A Dy2 N4A 84.97(6) . . ?
N3A Dy2 N2A 64.29(6) . . ?
N4A Dy2 N2A 129.18(6) . . ?
N4A Dy2 N3A 64.89(6) . . ?
O3A P1A C40A 109.17(11) . . ?
O3A P1A C46A 111.71(12) . . ?
O3A P1A C52A 108.86(11) . . ?
C40A P1A C46A 107.59(12) . . ?
C52A P1A C40A 111.93(12) . . ?
C52A P1A C46A 107.59(12) . . ?
O4A P2A C58A 109.85(11) . . ?
O4A P2A C64A 111.47(11) . . ?
O4A P2A C70A 109.68(11) . . ?
C64A P2A C58A 108.54(12) . . ?
C64A P2A C70A 107.76(12) . . ?
C70A P2A C58A 109.49(12) . . ?
C1A O1A Dy2 121.37(14) . . ?
C25A O2A Dy2 120.73(14) . . ?
P1A O3A Dy2 165.19(11) . . ?
P2A O4A Dy2 167.35(11) . . ?
C1A N1A N2A 109.36(18) . . ?
N1A N2A Dy2 119.07(13) . . ?
C16A N2A Dy2 123.76(15) . . ?
C16A N2A N1A 117.08(19) . . ?
C18A N3A Dy2 120.80(14) . . ?
C18A N3A C22A 119.16(19) . . ?
C22A N3A Dy2 120.04(14) . . ?
N5A N4A Dy2 118.72(13) . . ?
C23A N4A Dy2 123.14(15) . . ?
C23A N4A N5A 117.87(19) . . ?
C25A N5A N4A 109.65(18) . . ?
O1A C1A N1A 125.2(2) . . ?
O1A C1A C2A 118.5(2) . . ?
N1A C1A C2A 116.3(2) . . ?
C3A C2A C1A 119.4(2) . . ?
C3A C2A C7A 120.1(2) . . ?
C7A C2A C1A 120.5(2) . . ?
C2A C3A H3A 119.6 . . ?
C2A C3A C4A 120.8(2) . . ?
C4A C3A H3A 119.6 . . ?
C3A C4A C8A 120.5(2) . . ?
C5A C4A C3A 117.5(2) . . ?
C5A C4A C8A 121.9(2) . . ?
C4A C5A H5A 118.4 . . ?
C4A C5A C6A 123.2(2) . . ?
C6A C5A H5A 118.4 . . ?
C5A C6A C12A 119.0(2) . . ?
C7A C6A C5A 117.8(2) . . ?
C7A C6A C12A 123.2(2) . . ?
C2A C7A H7A 119.7 . . ?
C6A C7A C2A 120.6(2) . . ?
C6A C7A H7A 119.7 . . ?
C4A C8A C10A 109.7(2) . . ?
C9A C8A C4A 107.80(19) . . ?
C9A C8A C10A 109.6(2) . . ?
C11A C8A C4A 112.2(2) . . ?
C11A C8A C9A 109.2(2) . . ?
C11A C8A C10A 108.3(3) . . ?
C8A C9A H9AA 109.5 . . ?
C8A C9A H9AB 109.5 . . ?
C8A C9A H9AC 109.5 . . ?
H9AA C9A H9AB 109.5 . . ?
H9AA C9A H9AC 109.5 . . ?
H9AB C9A H9AC 109.5 . . ?
C8A C10A H10G 109.5 . . ?
C8A C10A H10H 109.5 . . ?
C8A C10A H10I 109.5 . . ?
H10G C10A H10H 109.5 . . ?
H10G C10A H10I 109.5 . . ?
H10H C10A H10I 109.5 . . ?
C8A C11A H11G 109.5 . . ?
C8A C11A H11H 109.5 . . ?
C8A C11A H11I 109.5 . . ?
H11G C11A H11H 109.5 . . ?
H11G C11A H11I 109.5 . . ?
H11H C11A H11I 109.5 . . ?
C6A C12A C13A 108.6(2) . . ?
C14A C12A C6A 113.1(2) . . ?
C14A C12A C13A 108.3(3) . . ?
C14A C12A C15A 109.4(3) . . ?
C15A C12A C6A 109.4(2) . . ?
C15A C12A C13A 107.8(2) . . ?
C12A C13A H13D 109.5 . . ?
C12A C13A H13E 109.5 . . ?
C12A C13A H13F 109.5 . . ?
H13D C13A H13E 109.5 . . ?
H13D C13A H13F 109.5 . . ?
H13E C13A H13F 109.5 . . ?
C12A C14A H14D 109.5 . . ?
C12A C14A H14E 109.5 . . ?
C12A C14A H14F 109.5 . . ?
H14D C14A H14E 109.5 . . ?
H14D C14A H14F 109.5 . . ?
H14E C14A H14F 109.5 . . ?
C12A C15A H15D 109.5 . . ?
C12A C15A H15E 109.5 . . ?
C12A C15A H15F 109.5 . . ?
H15D C15A H15E 109.5 . . ?
H15D C15A H15F 109.5 . . ?
H15E C15A H15F 109.5 . . ?
N2A C16A C17A 124.7(2) . . ?
N2A C16A C18A 114.6(2) . . ?
C18A C16A C17A 120.7(2) . . ?
C16A C17A H17D 109.5 . . ?
C16A C17A H17E 109.5 . . ?
C16A C17A H17F 109.5 . . ?
H17D C17A H17E 109.5 . . ?
H17D C17A H17F 109.5 . . ?
H17E C17A H17F 109.5 . . ?
N3A C18A C16A 116.3(2) . . ?
N3A C18A C19A 121.7(2) . . ?
C19A C18A C16A 122.0(2) . . ?
C18A C19A H19A 120.6 . . ?
C20A C19A C18A 118.8(2) . . ?
C20A C19A H19A 120.6 . . ?
C19A C20A H20A 120.0 . . ?
C19A C20A C21A 120.0(2) . . ?
C21A C20A H20A 120.0 . . ?
C20A C21A H21A 120.6 . . ?
C20A C21A C22A 118.7(2) . . ?
C22A C21A H21A 120.6 . . ?
N3A C22A C21A 121.6(2) . . ?
N3A C22A C23A 116.3(2) . . ?
C21A C22A C23A 122.1(2) . . ?
N4A C23A C22A 115.3(2) . . ?
N4A C23A C24A 124.8(2) . . ?
C22A C23A C24A 120.0(2) . . ?
C23A C24A H24D 109.5 . . ?
C23A C24A H24E 109.5 . . ?
C23A C24A H24F 109.5 . . ?
H24D C24A H24E 109.5 . . ?
H24D C24A H24F 109.5 . . ?
H24E C24A H24F 109.5 . . ?
O2A C25A N5A 125.3(2) . . ?
O2A C25A C26A 119.1(2) . . ?
N5A C25A C26A 115.5(2) . . ?
C27A C26A C25A 120.6(2) . . ?
C31A C26A C25A 119.9(2) . . ?
C31A C26A C27A 119.5(2) . . ?
C26A C27A H27B 119.3 . . ?
C28A C27A C26A 121.3(2) . . ?
C28A C27A H27B 119.3 . . ?
C27A C28A C29A 117.5(2) . . ?
C27A C28A C32" 115.0(5) . . ?
C27A C28A C32A 124.8(3) . . ?
C29A C28A C32" 127.0(5) . . ?
C29A C28A C32A 117.4(3) . . ?
C28A C29A H29B 119.2 . . ?
C28A C29A H29C 114.9 . . ?
C28A C29A C30" 130.2(17) . . ?
C30" C29A H29C 114.9 . . ?
C30A C29A C28A 121.6(4) . . ?
C30A C29A H29B 119.2 . . ?
C31A C30" C29A 102(2) . . ?
C36" C30" C29A 126(4) . . ?
C36" C30" C31A 124(5) . . ?
C29A C30A C31A 121.1(5) . . ?
C29A C30A C36A 118.6(7) . . ?
C31A C30A C36A 119.4(7) . . ?
C26A C31A C30" 129.7(18) . . ?
C26A C31A C30A 119.0(4) . . ?
C26A C31A H31A 120.5 . . ?
C26A C31A H31B 115.2 . . ?
C30" C31A H31B 115.2 . . ?
C30A C31A H31A 120.5 . . ?
C33" C32" C28A 110.2(14) . . ?
C33" C32" C34" 106.9(15) . . ?
C34" C32" C28A 108.4(11) . . ?
C35" C32" C28A 115.2(12) . . ?
C35" C32" C33" 106.0(14) . . ?
C35" C32" C34" 109.7(13) . . ?
C28A C32A C33A 110.8(3) . . ?
C28A C32A C34A 111.4(4) . . ?
C28A C32A C35A 109.5(4) . . ?
C33A C32A C34A 107.3(5) . . ?
C33A C32A C35A 110.0(5) . . ?
C35A C32A C34A 107.8(4) . . ?
C32" C33" H33G 109.5 . . ?
C32" C33" H33H 109.5 . . ?
C32" C33" H33I 109.5 . . ?
H33G C33" H33H 109.5 . . ?
H33G C33" H33I 109.5 . . ?
H33H C33" H33I 109.5 . . ?
C32A C33A H33J 109.5 . . ?
C32A C33A H33K 109.5 . . ?
C32A C33A H33L 109.5 . . ?
H33J C33A H33K 109.5 . . ?
H33J C33A H33L 109.5 . . ?
H33K C33A H33L 109.5 . . ?
C32" C34" H34G 109.5 . . ?
C32" C34" H34H 109.5 . . ?
C32" C34" H34I 109.5 . . ?
H34G C34" H34H 109.5 . . ?
H34G C34" H34I 109.5 . . ?
H34H C34" H34I 109.5 . . ?
C32A C34A H34J 109.5 . . ?
C32A C34A H34K 109.5 . . ?
C32A C34A H34L 109.5 . . ?
H34J C34A H34K 109.5 . . ?
H34J C34A H34L 109.5 . . ?
H34K C34A H34L 109.5 . . ?
C32" C35" H35G 109.5 . . ?
C32" C35" H35H 109.5 . . ?
C32" C35" H35I 109.5 . . ?
H35G C35" H35H 109.5 . . ?
H35G C35" H35I 109.5 . . ?
H35H C35" H35I 109.5 . . ?
C32A C35A H35J 109.5 . . ?
C32A C35A H35K 109.5 . . ?
C32A C35A H35L 109.5 . . ?
H35J C35A H35K 109.5 . . ?
H35J C35A H35L 109.5 . . ?
H35K C35A H35L 109.5 . . ?
C30" C36" C37" 102(3) . . ?
C30" C36" C38" 119(3) . . ?
C30" C36" C39" 112(3) . . ?
C37" C36" C38" 98(2) . . ?
C37" C36" C39" 118(2) . . ?
C39" C36" C38" 107.9(18) . . ?
C37A C36A C30A 111.3(6) . . ?
C38A C36A C30A 111.5(6) . . ?
C38A C36A C37A 110.4(5) . . ?
C39A C36A C30A 106.3(7) . . ?
C39A C36A C37A 107.6(6) . . ?
C39A C36A C38A 109.6(5) . . ?
C36" C37" H37G 109.5 . . ?
C36" C37" H37H 109.5 . . ?
C36" C37" H37I 109.5 . . ?
H37G C37" H37H 109.5 . . ?
H37G C37" H37I 109.5 . . ?
H37H C37" H37I 109.5 . . ?
C36A C37A H37J 109.5 . . ?
C36A C37A H37K 109.5 . . ?
C36A C37A H37L 109.5 . . ?
H37J C37A H37K 109.5 . . ?
H37J C37A H37L 109.5 . . ?
H37K C37A H37L 109.5 . . ?
C36" C38" H38G 109.5 . . ?
C36" C38" H38H 109.5 . . ?
C36" C38" H38I 109.5 . . ?
H38G C38" H38H 109.5 . . ?
H38G C38" H38I 109.5 . . ?
H38H C38" H38I 109.5 . . ?
C36A C38A H38J 109.5 . . ?
C36A C38A H38K 109.5 . . ?
C36A C38A H38L 109.5 . . ?
H38J C38A H38K 109.5 . . ?
H38J C38A H38L 109.5 . . ?
H38K C38A H38L 109.5 . . ?
C36" C39" H39G 109.5 . . ?
C36" C39" H39H 109.5 . . ?
C36" C39" H39I 109.5 . . ?
H39G C39" H39H 109.5 . . ?
H39G C39" H39I 109.5 . . ?
H39H C39" H39I 109.5 . . ?
C36A C39A H39J 109.5 . . ?
C36A C39A H39K 109.5 . . ?
C36A C39A H39L 109.5 . . ?
H39J C39A H39K 109.5 . . ?
H39J C39A H39L 109.5 . . ?
H39K C39A H39L 109.5 . . ?
C41A C40A P1A 118.00(18) . . ?
C45A C40A P1A 122.7(2) . . ?
C45A C40A C41A 119.2(2) . . ?
C40A C41A H41A 119.8 . . ?
C40A C41A C42A 120.4(3) . . ?
C42A C41A H41A 119.8 . . ?
C41A C42A H42A 120.1 . . ?
C43A C42A C41A 119.9(3) . . ?
C43A C42A H42A 120.1 . . ?
C42A C43A H43A 120.1 . . ?
C44A C43A C42A 119.9(3) . . ?
C44A C43A H43A 120.1 . . ?
C43A C44A H44A 119.5 . . ?
C43A C44A C45A 121.0(3) . . ?
C45A C44A H44A 119.5 . . ?
C40A C45A H45A 120.2 . . ?
C44A C45A C40A 119.7(3) . . ?
C44A C45A H45A 120.2 . . ?
C47" C46A P1A 128.6(6) . . ?
C47A C46A P1A 118.6(3) . . ?
C51" C46A P1A 121.1(5) . . ?
C51" C46A C47" 110.2(7) . . ?
C51A C46A P1A 119.7(3) . . ?
C51A C46A C47A 121.3(4) . . ?
C46A C47" H47" 115.0 . . ?
C48" C47" C46A 130.0(10) . . ?
C48" C47" H47" 115.0 . . ?
C46A C47A H47A 120.9 . . ?
C46A C47A C48A 118.2(4) . . ?
C48A C47A H47A 120.9 . . ?
C47" C48" H48" 124.6 . . ?
C47" C48" C49A 110.8(9) . . ?
C49A C48" H48" 124.6 . . ?
C47A C48A H48A 119.1 . . ?
C49A C48A C47A 121.9(4) . . ?
C49A C48A H48A 119.1 . . ?
C48" C49A H49B 116.6 . . ?
C48" C49A C50" 126.8(7) . . ?
C48A C49A H49A 121.5 . . ?
C50" C49A H49B 116.6 . . ?
C50A C49A C48A 116.9(4) . . ?
C50A C49A H49A 121.5 . . ?
C49A C50" H50" 124.4 . . ?
C51" C50" C49A 111.2(11) . . ?
C51" C50" H50" 124.4 . . ?
C49A C50A H50A 117.9 . . ?
C49A C50A C51A 124.2(6) . . ?
C51A C50A H50A 117.9 . . ?
C46A C51" C50" 128.9(11) . . ?
C46A C51" H51" 115.5 . . ?
C50" C51" H51" 115.5 . . ?
C46A C51A C50A 117.4(5) . . ?
C46A C51A H51A 121.3 . . ?
C50A C51A H51A 121.3 . . ?
C53A C52A P1A 122.0(2) . . ?
C57A C52A P1A 118.69(19) . . ?
C57A C52A C53A 119.3(2) . . ?
C52A C53A H53A 119.9 . . ?
C54A C53A C52A 120.1(3) . . ?
C54A C53A H53A 119.9 . . ?
C53A C54A H54B 119.8 . . ?
C53A C54A C55A 120.3(3) . . ?
C55A C54A H54B 119.8 . . ?
C54A C55A H55A 119.9 . . ?
C54A C55A C56A 120.2(3) . . ?
C56A C55A H55A 119.9 . . ?
C55A C56A H56A 120.2 . . ?
C55A C56A C57A 119.7(3) . . ?
C57A C56A H56A 120.2 . . ?
C52A C57A C56A 120.3(2) . . ?
C52A C57A H57A 119.8 . . ?
C56A C57A H57A 119.8 . . ?
C59A C58A P2A 122.9(2) . . ?
C59A C58A C63A 118.1(3) . . ?
C63A C58A P2A 119.0(2) . . ?
C58A C59A H59A 119.1 . . ?
C58A C59A C60A 121.7(3) . . ?
C60A C59A H59A 119.1 . . ?
C59A C60A H60A 120.3 . . ?
C61A C60A C59A 119.5(3) . . ?
C61A C60A H60A 120.3 . . ?
C60A C61A H61A 119.9 . . ?
C60A C61A C62A 120.2(3) . . ?
C62A C61A H61A 119.9 . . ?
C61A C62A H62A 119.8 . . ?
C61A C62A C63A 120.5(3) . . ?
C63A C62A H62A 119.8 . . ?
C58A C63A C62A 120.0(3) . . ?
C58A C63A H63A 120.0 . . ?
C62A C63A H63A 120.0 . . ?
C65A C64A P2A 122.7(2) . . ?
C65A C64A C69A 118.8(3) . . ?
C69A C64A P2A 118.4(2) . . ?
C64A C65A H65A 119.8 . . ?
C64A C65A C66A 120.5(3) . . ?
C66A C65A H65A 119.8 . . ?
C65A C66A H66A 119.9 . . ?
C67A C66A C65A 120.2(3) . . ?
C67A C66A H66A 119.9 . . ?
C66A C67A H67A 119.9 . . ?
C68A C67A C66A 120.1(3) . . ?
C68A C67A H67A 119.9 . . ?
C67A C68A H68A 120.0 . . ?
C67A C68A C69A 120.0(3) . . ?
C69A C68A H68A 120.0 . . ?
C64A C69A H69A 119.8 . . ?
C68A C69A C64A 120.4(3) . . ?
C68A C69A H69A 119.8 . . ?
C71A C70A P2A 118.77(19) . . ?
C71A C70A C75A 119.6(2) . . ?
C75A C70A P2A 121.6(2) . . ?
C70A C71A H71A 120.0 . . ?
C70A C71A C72A 119.9(3) . . ?
C72A C71A H71A 120.0 . . ?
C71A C72A H72A 120.1 . . ?
C73A C72A C71A 119.9(3) . . ?
C73A C72A H72A 120.1 . . ?
C72A C73A H73A 119.7 . . ?
C74A C73A C72A 120.6(3) . . ?
C74A C73A H73A 119.7 . . ?
C73A C74A H74A 119.9 . . ?
C73A C74A C75A 120.2(3) . . ?
C75A C74A H74A 119.9 . . ?
C70A C75A H75A 120.1 . . ?
C74A C75A C70A 119.7(3) . . ?
C74A C75A H75A 120.1 . . ?
O12 Cl11 O11 109.34(13) . . ?
O12 Cl11 O14 111.01(14) . . ?
O13 Cl11 O11 108.53(13) . . ?
O13 Cl11 O12 110.98(13) . . ?
O13 Cl11 O14 109.17(13) . . ?
O14 Cl11 O11 107.72(14) . . ?
O21 Cl21 O23 111.17(16) . . ?
O21 Cl21 O24 108.06(15) . . ?
O22 Cl21 O21 113.16(17) . . ?
O22 Cl21 O23 109.59(17) . . ?
O22 Cl21 O24 108.93(17) . . ?
O23 Cl21 O24 105.62(15) . . ?
C1' O1' H1' 109.2 . . ?
C1S O1S H1S 109.8 . . ?
O1' C1' H1'A 108.7 . . ?
O1' C1' H1'B 108.7 . . ?
H1'A C1' H1'B 107.6 . . ?
C2' C1' O1' 114.2(13) . . ?
C2' C1' H1'A 108.7 . . ?
C2' C1' H1'B 108.7 . . ?
O1S C1S H1SA 110.0 . . ?
O1S C1S H1SB 110.0 . . ?
O1S C1S C2S 108.7(8) . . ?
H1SA C1S H1SB 108.3 . . ?
C2S C1S H1SA 110.0 . . ?
C2S C1S H1SB 110.0 . . ?
C1' C2' H2'A 109.5 . . ?
C1' C2' H2'B 109.5 . . ?
C1' C2' H2'C 109.5 . . ?
H2'A C2' H2'B 109.5 . . ?
H2'A C2' H2'C 109.5 . . ?
H2'B C2' H2'C 109.5 . . ?
C1S C2S H2SA 109.5 . . ?
C1S C2S H2SB 109.5 . . ?
C1S C2S H2SC 109.5 . . ?
H2SA C2S H2SB 109.5 . . ?
H2SA C2S H2SC 109.5 . . ?
H2SB C2S H2SC 109.5 . . ?
C1" O2" H2" 117.8 . . ?
O2" C1" H1"A 109.3 . . ?
O2" C1" H1"B 109.3 . . ?
O2" C1" C2" 111.5(10) . . ?
H1"A C1" H1"B 108.0 . . ?
C2" C1" H1"A 109.3 . . ?
C2" C1" H1"B 109.3 . . ?
C1" C2" H2"A 109.5 . . ?
C1" C2" H2"B 109.5 . . ?
C1" C2" H2"C 109.5 . . ?
H2"A C2" H2"B 109.5 . . ?
H2"A C2" H2"C 109.5 . . ?
H2"B C2" H2"C 109.5 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
O1' H1' N1 0.84 2.24 3.076(11) 171.9 . yes
O1S H1S N1 0.84 2.05 2.871(6) 164.8 . yes
O2" H2" O1' 0.84 1.97 2.812(15) 174.9 . yes

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O1 C1 N1 4.0(4) . . . . ?
Dy1 O1 C1 C2 -176.30(18) . . . . ?
Dy1 O2 C25 N5 -10.0(3) . . . . ?
Dy1 O2 C25 C26 167.48(17) . . . . ?
Dy1 N2 C16 C17 -173.7(2) . . . . ?
Dy1 N2 C16 C18 4.5(3) . . . . ?
Dy1 N3 C18 C16 -4.4(3) . . . . ?
Dy1 N3 C18 C19 173.8(2) . . . . ?
Dy1 N3 C22 C21 -175.1(2) . . . . ?
Dy1 N3 C22 C23 0.9(3) . . . . ?
Dy1 N4 N5 C25 -2.4(3) . . . . ?
Dy1 N4 C23 C22 7.4(3) . . . . ?
Dy1 N4 C23 C24 -175.9(2) . . . . ?
P1 C40 C41 C42 176.4(2) . . . . ?
P1 C40 C45 C44 -174.5(2) . . . . ?
P1 C46 C47 C48 -173.2(3) . . . . ?
P1 C46 C51 C50 173.0(2) . . . . ?
P1 C52 C53 C54 176.5(2) . . . . ?
P1 C52 C57 C56 -175.3(4) . . . . ?
P1 C52 C57' C56' -177.9(6) . . . . ?
P2 C58 C59 C60 176.6(2) . . . . ?
P2 C58 C63 C62 -176.4(2) . . . . ?
P2 C64 C65 C66 170.4(3) . . . . ?
P2 C64 C69 C68 -170.5(3) . . . . ?
P2 C70 C71 C72 -179.5(2) . . . . ?
P2 C70 C75 C74 179.0(2) . . . . ?
O1 C1 C2 C3 -29.0(4) . . . . ?
O1 C1 C2 C7 153.6(2) . . . . ?
O2 C25 C26 C27 -174.3(3) . . . . ?
O2 C25 C26 C31 3.1(4) . . . . ?
O3 P1 C40 C41 2.7(2) . . . . ?
O3 P1 C40 C45 179.7(2) . . . . ?
O3 P1 C46 C47 84.7(3) . . . . ?
O3 P1 C46 C51 -87.8(2) . . . . ?
O3 P1 C52 C53 -167.6(2) . . . . ?
O3 P1 C52 C57 -3.0(4) . . . . ?
O3 P1 C52 C57' 28.5(5) . . . . ?
O4 P2 C58 C59 -173.2(2) . . . . ?
O4 P2 C58 C63 6.0(2) . . . . ?
O4 P2 C64 C65 -74.4(3) . . . . ?
O4 P2 C64 C69 94.0(3) . . . . ?
O4 P2 C70 C71 5.6(2) . . . . ?
O4 P2 C70 C75 -173.0(2) . . . . ?
N1 N2 C16 C17 1.7(4) . . . . ?
N1 N2 C16 C18 179.9(2) . . . . ?
N1 C1 C2 C3 150.8(3) . . . . ?
N1 C1 C2 C7 -26.7(4) . . . . ?
N2 N1 C1 O1 -1.4(4) . . . . ?
N2 N1 C1 C2 178.9(2) . . . . ?
N2 C16 C18 N3 0.1(4) . . . . ?
N2 C16 C18 C19 -178.2(3) . . . . ?
N3 C18 C19 C20 1.1(5) . . . . ?
N3 C22 C23 N4 -5.2(4) . . . . ?
N3 C22 C23 C24 178.0(3) . . . . ?
N4 N5 C25 O2 7.8(4) . . . . ?
N4 N5 C25 C26 -169.7(2) . . . . ?
N5 N4 C23 C22 -170.9(2) . . . . ?
N5 N4 C23 C24 5.8(4) . . . . ?
N5 C25 C26 C27 3.4(4) . . . . ?
N5 C25 C26 C31 -179.2(3) . . . . ?
C1 N1 N2 Dy1 -1.7(3) . . . . ?
C1 N1 N2 C16 -177.3(2) . . . . ?
C1 C2 C3 C4 -177.0(3) . . . . ?
C1 C2 C7 C6 179.2(2) . . . . ?
C2 C3 C4 C5 -1.2(5) . . . . ?
C2 C3 C4 C8 176.5(3) . . . . ?
C3 C2 C7 C6 1.7(4) . . . . ?
C3 C4 C5 C6 0.1(5) . . . . ?
C3 C4 C8 C9 59.4(6) . . . . ?
C3 C4 C8 C9' 6.8(17) . . . . ?
C3 C4 C8 C10 -64.3(5) . . . . ?
C3 C4 C8 C10' -106.4(17) . . . . ?
C3 C4 C8 C11 179.2(4) . . . . ?
C3 C4 C8 C11' 115.8(17) . . . . ?
C4 C5 C6 C7 1.9(5) . . . . ?
C4 C5 C6 C12 -178.9(3) . . . . ?
C5 C4 C8 C9 -123.1(6) . . . . ?
C5 C4 C8 C9' -175.6(17) . . . . ?
C5 C4 C8 C10 113.3(5) . . . . ?
C5 C4 C8 C10' 71.1(17) . . . . ?
C5 C4 C8 C11 -3.2(5) . . . . ?
C5 C4 C8 C11' -66.7(17) . . . . ?
C5 C6 C7 C2 -2.8(4) . . . . ?
C5 C6 C12 C13 -57.9(4) . . . . ?
C5 C6 C12 C14 -178.7(3) . . . . ?
C5 C6 C12 C15 60.8(4) . . . . ?
C7 C2 C3 C4 0.3(4) . . . . ?
C7 C6 C12 C13 121.2(3) . . . . ?
C7 C6 C12 C14 0.4(4) . . . . ?
C7 C6 C12 C15 -120.1(3) . . . . ?
C8 C4 C5 C6 -177.6(3) . . . . ?
C12 C6 C7 C2 178.1(3) . . . . ?
C16 C18 C19 C20 179.3(3) . . . . ?
C17 C16 C18 N3 178.3(3) . . . . ?
C17 C16 C18 C19 0.1(5) . . . . ?
C18 N3 C22 C21 0.0(4) . . . . ?
C18 N3 C22 C23 176.0(2) . . . . ?
C18 C19 C20 C21 0.3(6) . . . . ?
C19 C20 C21 C22 -1.4(6) . . . . ?
C20 C21 C22 N3 1.3(5) . . . . ?
C20 C21 C22 C23 -174.4(3) . . . . ?
C21 C22 C23 N4 170.8(3) . . . . ?
C21 C22 C23 C24 -6.1(4) . . . . ?
C22 N3 C18 C16 -179.5(2) . . . . ?
C22 N3 C18 C19 -1.3(4) . . . . ?
C23 N4 N5 C25 176.0(2) . . . . ?
C25 C26 C27 C28 -174.6(6) . . . . ?
C25 C26 C27 C28' 165.2(7) . . . . ?
C25 C26 C31 C30 -177.1(3) . . . . ?
C26 C27 C28 C29 -16.7(12) . . . . ?
C26 C27 C28 C32 178.0(7) . . . . ?
C26 C27 C28' C29 21.7(12) . . . . ?
C26 C27 C28' C32' -170.8(6) . . . . ?
C27 C26 C31 C30 0.3(5) . . . . ?
C27 C28 C29 C30 18.3(12) . . . . ?
C27 C28 C32 C33 26.1(13) . . . . ?
C27 C28 C32 C34 -93.9(12) . . . . ?
C27 C28 C32 C35 145.6(10) . . . . ?
C27 C28' C29 C30 -21.1(12) . . . . ?
C27 C28' C32' C33' -2.9(15) . . . . ?
C27 C28' C32' C34' -122.1(10) . . . . ?
C27 C28' C32' C35' 118.3(10) . . . . ?
C28 C29 C30 C31 -10.4(8) . . . . ?
C28 C29 C30 C36 170.4(6) . . . . ?
C28' C29 C30 C31 10.1(8) . . . . ?
C28' C29 C30 C36 -169.2(7) . . . . ?
C29 C28 C32 C33 -139.1(11) . . . . ?
C29 C28 C32 C34 100.9(10) . . . . ?
C29 C28 C32 C35 -19.5(14) . . . . ?
C29 C28' C32' C33' 163.5(12) . . . . ?
C29 C28' C32' C34' 44.3(12) . . . . ?
C29 C28' C32' C35' -75.3(12) . . . . ?
C29 C30 C31 C26 0.8(5) . . . . ?
C29 C30 C36 C37 12.2(6) . . . . ?
C29 C30 C36 C37' -49.1(5) . . . . ?
C29 C30 C36 C38 -125.3(5) . . . . ?
C29 C30 C36 C38' -155.4(5) . . . . ?
C29 C30 C36 C39 123.0(4) . . . . ?
C29 C30 C36 C39' 62.7(6) . . . . ?
C31 C26 C27 C28 8.0(7) . . . . ?
C31 C26 C27 C28' -12.2(8) . . . . ?
C31 C30 C36 C37 -167.0(4) . . . . ?
C31 C30 C36 C37' 131.6(4) . . . . ?
C31 C30 C36 C38 55.4(5) . . . . ?
C31 C30 C36 C38' 25.4(6) . . . . ?
C31 C30 C36 C39 -56.3(4) . . . . ?
C31 C30 C36 C39' -116.5(5) . . . . ?
C32 C28 C29 C30 -175.7(7) . . . . ?
C32' C28' C29 C30 172.0(7) . . . . ?
C36 C30 C31 C26 -180.0(3) . . . . ?
C40 P1 O3 Dy1 136.5(3) . . . . ?
C40 P1 C46 C47 -34.9(3) . . . . ?
C40 P1 C46 C51 152.6(2) . . . . ?
C40 P1 C52 C53 -48.5(3) . . . . ?
C40 P1 C52 C57 116.1(4) . . . . ?
C40 P1 C52 C57' 147.6(5) . . . . ?
C40 C41 C42 C43 -1.2(4) . . . . ?
C41 C40 C45 C44 2.4(4) . . . . ?
C41 C42 C43 C44 1.3(4) . . . . ?
C42 C43 C44 C45 0.4(4) . . . . ?
C43 C44 C45 C40 -2.3(4) . . . . ?
C45 C40 C41 C42 -0.6(4) . . . . ?
C46 P1 O3 Dy1 16.5(4) . . . . ?
C46 P1 C40 C41 124.2(2) . . . . ?
C46 P1 C40 C45 -58.9(2) . . . . ?
C46 P1 C52 C53 71.1(3) . . . . ?
C46 P1 C52 C57 -124.4(4) . . . . ?
C46 P1 C52 C57' -92.9(5) . . . . ?
C46 C47 C48 C49 0.3(6) . . . . ?
C47 C46 C51 C50 0.5(5) . . . . ?
C47 C48 C49 C50 0.1(6) . . . . ?
C48 C49 C50 C51 -0.2(6) . . . . ?
C49 C50 C51 C46 -0.1(5) . . . . ?
C51 C46 C47 C48 -0.6(5) . . . . ?
C52 P1 O3 Dy1 -103.0(4) . . . . ?
C52 P1 C40 C41 -116.8(2) . . . . ?
C52 P1 C40 C45 60.1(2) . . . . ?
C52 P1 C46 C47 -155.4(2) . . . . ?
C52 P1 C46 C51 32.1(3) . . . . ?
C52 C53 C54 C55 -7.9(7) . . . . ?
C52 C53 C54 C55' 9.7(7) . . . . ?
C53 C52 C57 C56 -9.4(7) . . . . ?
C53 C52 C57' C56' 17.8(10) . . . . ?
C53 C54 C55 C56 1.8(9) . . . . ?
C53 C54 C55' C56' 4.0(15) . . . . ?
C54 C55 C56 C57 0.1(10) . . . . ?
C54 C55' C56' C57' -6.5(17) . . . . ?
C55 C56 C57 C52 4.0(9) . . . . ?
C55' C56' C57' C52 -4.2(13) . . . . ?
C57 C52 C53 C54 11.1(5) . . . . ?
C57' C52 C53 C54 -20.8(7) . . . . ?
C58 P2 O4 Dy1 -145.8(3) . . . . ?
C58 P2 C64 C65 45.0(3) . . . . ?
C58 P2 C64 C69 -146.5(3) . . . . ?
C58 P2 C70 C71 -114.2(2) . . . . ?
C58 P2 C70 C75 67.1(2) . . . . ?
C58 C59 C60 C61 0.4(4) . . . . ?
C59 C58 C63 C62 2.7(4) . . . . ?
C59 C60 C61 C62 1.6(5) . . . . ?
C60 C61 C62 C63 -1.4(5) . . . . ?
C61 C62 C63 C58 -0.8(5) . . . . ?
C63 C58 C59 C60 -2.5(4) . . . . ?
C64 P2 O4 Dy1 -27.0(3) . . . . ?
C64 P2 C58 C59 66.2(2) . . . . ?
C64 P2 C58 C63 -114.7(2) . . . . ?
C64 P2 C70 C71 127.2(2) . . . . ?
C64 P2 C70 C75 -51.4(2) . . . . ?
C64 C65 C66 C67 -0.4(6) . . . . ?
C65 C64 C69 C68 -2.2(5) . . . . ?
C65 C66 C67 C68 -0.5(7) . . . . ?
C66 C67 C68 C69 0.1(7) . . . . ?
C67 C68 C69 C64 1.3(6) . . . . ?
C69 C64 C65 C66 1.7(5) . . . . ?
C70 P2 O4 Dy1 93.7(3) . . . . ?
C70 P2 C58 C59 -53.1(2) . . . . ?
C70 P2 C58 C63 126.0(2) . . . . ?
C70 P2 C64 C65 164.9(2) . . . . ?
C70 P2 C64 C69 -26.7(3) . . . . ?
C70 C71 C72 C73 1.0(4) . . . . ?
C71 C70 C75 C74 0.3(4) . . . . ?
C71 C72 C73 C74 -0.7(4) . . . . ?
C72 C73 C74 C75 0.3(4) . . . . ?
C73 C74 C75 C70 -0.1(4) . . . . ?
C75 C70 C71 C72 -0.8(4) . . . . ?
Dy2 O1A C1A N1A 3.3(3) . . . . ?
Dy2 O1A C1A C2A -176.53(14) . . . . ?
Dy2 O2A C25A N5A 4.7(3) . . . . ?
Dy2 O2A C25A C26A -176.58(15) . . . . ?
Dy2 N2A C16A C17A -175.6(2) . . . . ?
Dy2 N2A C16A C18A 5.8(3) . . . . ?
Dy2 N3A C18A C16A -1.2(3) . . . . ?
Dy2 N3A C18A C19A -179.55(18) . . . . ?
Dy2 N3A C22A C21A 178.98(17) . . . . ?
Dy2 N3A C22A C23A -0.7(3) . . . . ?
Dy2 N4A N5A C25A -5.9(2) . . . . ?
Dy2 N4A C23A C22A 7.5(3) . . . . ?
Dy2 N4A C23A C24A -171.8(2) . . . . ?
P1A C40A C41A C42A -177.4(2) . . . . ?
P1A C40A C45A C44A 177.4(3) . . . . ?
P1A C46A C47" C48" 176.0(11) . . . . ?
P1A C46A C47A C48A -175.9(3) . . . . ?
P1A C46A C51" C50" 176.6(9) . . . . ?
P1A C46A C51A C50A 174.7(6) . . . . ?
P1A C52A C53A C54A -178.3(3) . . . . ?
P1A C52A C57A C56A 179.2(3) . . . . ?
P2A C58A C59A C60A 177.3(3) . . . . ?
P2A C58A C63A C62A -177.7(3) . . . . ?
P2A C64A C65A C66A 174.7(3) . . . . ?
P2A C64A C69A C68A -174.7(2) . . . . ?
P2A C70A C71A C72A 179.0(2) . . . . ?
P2A C70A C75A C74A -177.8(2) . . . . ?
O1A C1A C2A C3A -18.5(3) . . . . ?
O1A C1A C2A C7A 160.0(2) . . . . ?
O2A C25A C26A C27A 166.1(2) . . . . ?
O2A C25A C26A C31A -12.7(4) . . . . ?
O3A P1A C40A C41A 3.3(2) . . . . ?
O3A P1A C40A C45A -173.0(2) . . . . ?
O3A P1A C46A C47" 118.4(9) . . . . ?
O3A P1A C46A C47A 76.1(3) . . . . ?
O3A P1A C46A C51" -59.0(6) . . . . ?
O3A P1A C46A C51A -97.3(5) . . . . ?
O3A P1A C52A C53A -170.8(3) . . . . ?
O3A P1A C52A C57A 11.0(3) . . . . ?
O4A P2A C58A C59A -141.2(2) . . . . ?
O4A P2A C58A C63A 36.7(3) . . . . ?
O4A P2A C64A C65A -113.6(3) . . . . ?
O4A P2A C64A C69A 62.6(2) . . . . ?
O4A P2A C70A C71A 12.7(2) . . . . ?
O4A P2A C70A C75A -167.2(2) . . . . ?
N1A N2A C16A C17A 0.9(4) . . . . ?
N1A N2A C16A C18A -177.69(19) . . . . ?
N1A C1A C2A C3A 161.7(2) . . . . ?
N1A C1A C2A C7A -19.9(3) . . . . ?
N2A N1A C1A O1A 0.8(3) . . . . ?
N2A N1A C1A C2A -179.34(18) . . . . ?
N2A C16A C18A N3A -2.9(3) . . . . ?
N2A C16A C18A C19A 175.5(2) . . . . ?
N3A C18A C19A C20A 0.5(4) . . . . ?
N3A C22A C23A N4A -4.3(3) . . . . ?
N3A C22A C23A C24A 175.1(2) . . . . ?
N4A N5A C25A O2A 1.0(3) . . . . ?
N4A N5A C25A C26A -177.68(18) . . . . ?
N5A N4A C23A C22A -178.51(19) . . . . ?
N5A N4A C23A C24A 2.2(4) . . . . ?
N5A C25A C26A C27A -15.1(3) . . . . ?
N5A C25A C26A C31A 166.1(2) . . . . ?
C1A N1A N2A Dy2 -4.2(2) . . . . ?
C1A N1A N2A C16A 179.1(2) . . . . ?
C1A C2A C3A C4A 179.7(2) . . . . ?
C1A C2A C7A C6A -178.6(2) . . . . ?
C2A C3A C4A C5A -1.4(3) . . . . ?
C2A C3A C4A C8A -178.6(2) . . . . ?
C3A C2A C7A C6A -0.1(4) . . . . ?
C3A C4A C5A C6A 0.5(4) . . . . ?
C3A C4A C8A C9A 68.2(3) . . . . ?
C3A C4A C8A C10A -51.1(3) . . . . ?
C3A C4A C8A C11A -171.6(2) . . . . ?
C4A C5A C6A C7A 0.6(4) . . . . ?
C4A C5A C6A C12A -178.9(2) . . . . ?
C5A C4A C8A C9A -108.9(3) . . . . ?
C5A C4A C8A C10A 131.8(3) . . . . ?
C5A C4A C8A C11A 11.3(3) . . . . ?
C5A C6A C7A C2A -0.8(4) . . . . ?
C5A C6A C12A C13A -61.3(3) . . . . ?
C5A C6A C12A C14A 178.4(3) . . . . ?
C5A C6A C12A C15A 56.1(3) . . . . ?
C7A C2A C3A C4A 1.3(3) . . . . ?
C7A C6A C12A C13A 119.1(3) . . . . ?
C7A C6A C12A C14A -1.2(4) . . . . ?
C7A C6A C12A C15A -123.4(3) . . . . ?
C8A C4A C5A C6A 177.6(2) . . . . ?
C12A C6A C7A C2A 178.7(2) . . . . ?
C16A C18A C19A C20A -177.8(2) . . . . ?
C17A C16A C18A N3A 178.5(3) . . . . ?
C17A C16A C18A C19A -3.1(4) . . . . ?
C18A N3A C22A C21A -0.4(3) . . . . ?
C18A N3A C22A C23A 180.0(2) . . . . ?
C18A C19A C20A C21A -0.1(4) . . . . ?
C19A C20A C21A C22A -0.4(4) . . . . ?
C20A C21A C22A N3A 0.7(4) . . . . ?
C20A C21A C22A C23A -179.7(2) . . . . ?
C21A C22A C23A N4A 176.0(2) . . . . ?
C21A C22A C23A C24A -4.6(4) . . . . ?
C22A N3A C18A C16A 178.2(2) . . . . ?
C22A N3A C18A C19A -0.2(3) . . . . ?
C23A N4A N5A C25A 179.9(2) . . . . ?
C25A C26A C27A C28A -178.4(2) . . . . ?
C25A C26A C31A C30" 179(4) . . . . ?
C25A C26A C31A C30A -179.7(7) . . . . ?
C26A C27A C28A C29A -1.8(4) . . . . ?
C26A C27A C28A C32" -175.0(6) . . . . ?
C26A C27A C28A C32A 173.2(3) . . . . ?
C27A C26A C31A C30" 0(4) . . . . ?
C27A C26A C31A C30A 1.4(8) . . . . ?
C27A C28A C29A C30" 3(4) . . . . ?
C27A C28A C29A C30A 1.4(9) . . . . ?
C27A C28A C32" C33" -59.5(13) . . . . ?
C27A C28A C32" C34" -176.2(9) . . . . ?
C27A C28A C32" C35" 60.5(13) . . . . ?
C27A C28A C32A C33A -3.3(6) . . . . ?
C27A C28A C32A C34A -122.7(4) . . . . ?
C27A C28A C32A C35A 118.2(4) . . . . ?
C28A C29A C30" C31A -2(6) . . . . ?
C28A C29A C30" C36" -150(3) . . . . ?
C28A C29A C30A C31A 0.5(16) . . . . ?
C28A C29A C30A C36A 169.6(7) . . . . ?
C29A C28A C32" C33" 128.1(11) . . . . ?
C29A C28A C32" C34" 11.4(14) . . . . ?
C29A C28A C32" C35" -111.9(11) . . . . ?
C29A C28A C32A C33A 171.7(5) . . . . ?
C29A C28A C32A C34A 52.4(5) . . . . ?
C29A C28A C32A C35A -66.7(5) . . . . ?
C29A C30" C31A C26A 0(6) . . . . ?
C29A C30" C36" C37" -64(6) . . . . ?
C29A C30" C36" C38" 42(6) . . . . ?
C29A C30" C36" C39" 168(4) . . . . ?
C29A C30A C31A C26A -1.9(15) . . . . ?
C29A C30A C36A C37A 21.1(14) . . . . ?
C29A C30A C36A C38A -102.5(10) . . . . ?
C29A C30A C36A C39A 138.1(10) . . . . ?
C31A C26A C27A C28A 0.5(4) . . . . ?
C31A C30" C36" C37" 154(4) . . . . ?
C31A C30" C36" C38" -100(5) . . . . ?
C31A C30" C36" C39" 27(6) . . . . ?
C31A C30A C36A C37A -169.5(10) . . . . ?
C31A C30A C36A C38A 66.8(13) . . . . ?
C31A C30A C36A C39A -52.6(12) . . . . ?
C36" C30" C31A C26A 149(3) . . . . ?
C36A C30A C31A C26A -171.0(7) . . . . ?
C40A P1A O3A Dy2 113.2(4) . . . . ?
C40A P1A C46A C47" -1.4(9) . . . . ?
C40A P1A C46A C47A -43.7(3) . . . . ?
C40A P1A C46A C51" -178.8(5) . . . . ?
C40A P1A C46A C51A 142.8(5) . . . . ?
C40A P1A C52A C53A -50.0(3) . . . . ?
C40A P1A C52A C57A 131.8(2) . . . . ?
C40A C41A C42A C43A 0.3(5) . . . . ?
C41A C40A C45A C44A 1.1(5) . . . . ?
C41A C42A C43A C44A 0.1(5) . . . . ?
C42A C43A C44A C45A 0.1(5) . . . . ?
C43A C44A C45A C40A -0.7(6) . . . . ?
C45A C40A C41A C42A -0.9(4) . . . . ?
C46A P1A O3A Dy2 -5.7(4) . . . . ?
C46A P1A C40A C41A 124.7(2) . . . . ?
C46A P1A C40A C45A -51.6(3) . . . . ?
C46A P1A C52A C53A 68.0(3) . . . . ?
C46A P1A C52A C57A -110.2(2) . . . . ?
C46A C47" C48" C49A 15(2) . . . . ?
C46A C47A C48A C49A 2.1(6) . . . . ?
C47" C46A C51" C50" -1.2(14) . . . . ?
C47" C48" C49A C50" -17.3(16) . . . . ?
C47A C46A C51A C50A 1.4(10) . . . . ?
C47A C48A C49A C50A -0.3(8) . . . . ?
C48" C49A C50" C51" 11.7(14) . . . . ?
C48A C49A C50A C51A -1.0(12) . . . . ?
C49A C50" C51" C46A -1.3(15) . . . . ?
C49A C50A C51A C46A 0.5(13) . . . . ?
C51" C46A C47" C48" -6.4(18) . . . . ?
C51A C46A C47A C48A -2.6(7) . . . . ?
C52A P1A O3A Dy2 -124.4(4) . . . . ?
C52A P1A C40A C41A -117.3(2) . . . . ?
C52A P1A C40A C45A 66.4(3) . . . . ?
C52A P1A C46A C47" -122.2(9) . . . . ?
C52A P1A C46A C47A -164.5(3) . . . . ?
C52A P1A C46A C51" 60.5(6) . . . . ?
C52A P1A C46A C51A 22.1(5) . . . . ?
C52A C53A C54A C55A -1.0(7) . . . . ?
C53A C52A C57A C56A 0.9(5) . . . . ?
C53A C54A C55A C56A 1.3(7) . . . . ?
C54A C55A C56A C57A -0.5(6) . . . . ?
C55A C56A C57A C52A -0.6(5) . . . . ?
C57A C52A C53A C54A -0.2(5) . . . . ?
C58A P2A O4A Dy2 -111.1(5) . . . . ?
C58A P2A C64A C65A 7.5(3) . . . . ?
C58A P2A C64A C69A -176.3(2) . . . . ?
C58A P2A C70A C71A -107.9(2) . . . . ?
C58A P2A C70A C75A 72.1(2) . . . . ?
C58A C59A C60A C61A -0.8(6) . . . . ?
C59A C58A C63A C62A 0.2(6) . . . . ?
C59A C60A C61A C62A 2.5(6) . . . . ?
C60A C61A C62A C63A -2.9(6) . . . . ?
C61A C62A C63A C58A 1.5(7) . . . . ?
C63A C58A C59A C60A -0.6(5) . . . . ?
C64A P2A O4A Dy2 9.2(5) . . . . ?
C64A P2A C58A C59A 96.7(3) . . . . ?
C64A P2A C58A C63A -85.5(3) . . . . ?
C64A P2A C70A C71A 134.2(2) . . . . ?
C64A P2A C70A C75A -45.7(2) . . . . ?
C64A C65A C66A C67A 0.0(7) . . . . ?
C65A C64A C69A C68A 1.7(4) . . . . ?
C65A C66A C67A C68A 1.3(7) . . . . ?
C66A C67A C68A C69A -1.1(6) . . . . ?
C67A C68A C69A C64A -0.4(5) . . . . ?
C69A C64A C65A C66A -1.5(6) . . . . ?
C70A P2A O4A Dy2 128.5(5) . . . . ?
C70A P2A C58A C59A -20.6(3) . . . . ?
C70A P2A C58A C63A 157.2(3) . . . . ?
C70A P2A C64A C65A 126.0(3) . . . . ?
C70A P2A C64A C69A -57.8(2) . . . . ?
C70A C71A C72A C73A -0.4(4) . . . . ?
C71A C70A C75A C74A 2.3(4) . . . . ?
C71A C72A C73A C74A 0.7(5) . . . . ?
C72A C73A C74A C75A 0.5(5) . . . . ?
C73A C74A C75A C70A -2.0(4) . . . . ?
C75A C70A C71A C72A -1.1(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
