#------------------------------------------------------------------------------
#$Date: 2017-04-04 06:19:50 +0300 (Tue, 04 Apr 2017) $
#$Revision: 194730 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/56/4345625.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4345625
loop_
_publ_author_name
'Gupta, Sandeep K.'
'Langley, Stuart K.'
'Sharma, Kamna'
'Murray, Keith S.'
'Murugavel, Ramaswamy'
_publ_section_title
;
 Pentanuclear Lanthanide Mono-organophosphates: Synthesis, Structure, and
 Magnetism.
;
_journal_issue                   7
_journal_name_full               'Inorganic chemistry'
_journal_page_first              3946
_journal_page_last               3960
_journal_paper_doi               10.1021/acs.inorgchem.6b03014
_journal_volume                  56
_journal_year                    2017
_chemical_formula_moiety
'C77 H126 Dy5 N3 O41 P6, 0.5(C6 H18 N2), C H O, 4(C H4 O), H2 O, O'
_chemical_formula_sum            'C85 H154 Dy5 N4 O48 P6'
_chemical_formula_weight         2998.43
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                94.125(2)
_cell_angle_beta                 99.124(3)
_cell_angle_gamma                106.545(2)
_cell_formula_units_Z            2
_cell_length_a                   15.213(2)
_cell_length_b                   15.987(2)
_cell_length_c                   26.093(4)
_cell_measurement_reflns_used    12723
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.1
_cell_measurement_theta_min      2.6
_cell_volume                     5960.2(14)
_computing_cell_refinement
;
CrystalClear-SM Expert 2.0 r3 (Rigaku, 2009)
;
_computing_data_collection
;
CrystalClear-SM Expert 2.0 r3 (Rigaku, 2009)
;
_computing_data_reduction
;
CrystalClear-SM Expert 2.0 r3 (Rigaku, 2009)
;
_computing_molecular_graphics    'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_publication_material  'CrystalStructure 4.0'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type
;
Rigaku Saturn724+ (2x2 bin mode)
;
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0260
_diffrn_reflns_av_unetI/netI     0.0343
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            44056
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.475
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    3.261
_exptl_absorpt_correction_T_max  0.663
_exptl_absorpt_correction_T_min  0.543
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.671
_exptl_crystal_description       block
_exptl_crystal_F_000             2992
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.130
_refine_diff_density_max         1.815
_refine_diff_density_min         -2.053
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1426
_refine_ls_number_reflns         20642
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0309
_refine_ls_R_factor_gt           0.0298
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0322P)²+14.0020P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0737
_refine_ls_wR_factor_ref         0.0747
_reflns_Friedel_coverage         0.000
_reflns_number_gt                19960
_reflns_number_total             20642
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic6b03014_si_002.cif
_cod_data_source_block           5_SKG422
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Numerical' changed to
'numerical' according to
/home/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_database_code               4345625
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.548
_shelx_estimated_absorpt_t_max   0.677
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy2 Dy 0.32869(2) 0.15609(2) 0.21939(2) 0.01664(5) Uani 1 1 d D . . . .
Dy3 Dy 0.17292(2) 0.30887(2) 0.21227(2) 0.01669(5) Uani 1 1 d D . . . .
Dy1 Dy 0.41747(2) 0.37949(2) 0.30365(2) 0.01822(5) Uani 1 1 d . . . . .
Dy4 Dy 0.14240(2) 0.14258(2) 0.38568(2) 0.02209(5) Uani 1 1 d . . . . .
Dy5 Dy 0.43793(2) 0.41177(2) 0.10415(2) 0.01925(5) Uani 1 1 d D . . . .
P1 P 0.08685(7) 0.13098(6) 0.24661(4) 0.01827(19) Uani 1 1 d . . . . .
P2 P 0.35153(7) 0.14460(6) 0.33576(4) 0.01852(19) Uani 1 1 d . . . . .
P3 P 0.24914(7) 0.36228(6) 0.35850(4) 0.0196(2) Uani 1 1 d . . . . .
P4 P 0.34643(7) 0.50023(6) 0.20918(4) 0.0197(2) Uani 1 1 d . . . . .
P5 P 0.53362(7) 0.31075(7) 0.21348(4) 0.0209(2) Uani 1 1 d . . . . .
P6 P 0.24237(7) 0.21797(6) 0.10333(4) 0.01807(19) Uani 1 1 d . . . . .
O1 O 0.01254(17) 0.05295(16) 0.20711(10) 0.0192(5) Uani 1 1 d . . . . .
O2 O 0.09297(19) 0.10424(17) 0.30053(10) 0.0232(6) Uani 1 1 d . . . . .
O3 O 0.04984(18) 0.20885(17) 0.23961(11) 0.0236(6) Uani 1 1 d . . . . .
O4 O 0.18019(18) 0.15532(17) 0.22809(10) 0.0198(5) Uani 1 1 d . . . . .
O5 O 0.43964(18) 0.13436(17) 0.37421(10) 0.0215(6) Uani 1 1 d . . . . .
O6 O 0.28197(19) 0.14611(18) 0.37020(11) 0.0241(6) Uani 1 1 d . . . . .
O7 O 0.38336(18) 0.23059(17) 0.31205(10) 0.0203(5) Uani 1 1 d . . . . .
O8 O 0.32038(19) 0.07131(17) 0.29041(10) 0.0233(6) Uani 1 1 d . . . . .
O9 O 0.1948(2) 0.43517(18) 0.36088(11) 0.0263(6) Uani 1 1 d . . . . .
O10 O 0.2018(2) 0.28886(18) 0.38669(11) 0.0255(6) Uani 1 1 d . . . . .
O11 O 0.24279(18) 0.33820(17) 0.30023(10) 0.0203(6) Uani 1 1 d . . . . .
O12 O 0.35267(19) 0.40491(17) 0.38155(10) 0.0224(6) Uani 1 1 d . . . . .
O13 O 0.34672(19) 0.60119(17) 0.21187(11) 0.0235(6) Uani 1 1 d . . . . .
O14 O 0.39653(19) 0.49249(17) 0.26251(10) 0.0234(6) Uani 1 1 d . . . . .
O15 O 0.24540(19) 0.44408(17) 0.19832(11) 0.0250(6) Uani 1 1 d . . . . .
O16 O 0.39677(19) 0.48351(18) 0.16574(11) 0.0251(6) Uani 1 1 d . . . . .
O17 O 0.63948(18) 0.30776(19) 0.21596(11) 0.0271(6) Uani 1 1 d . . . . .
O18 O 0.51008(18) 0.35140(18) 0.16455(11) 0.0234(6) Uani 1 1 d . . . . .
O19 O 0.47639(18) 0.21589(17) 0.21114(11) 0.0237(6) Uani 1 1 d . . . . .
O20 O 0.53242(18) 0.36593(18) 0.26263(11) 0.0252(6) Uani 1 1 d . . . . .
O21 O 0.17665(18) 0.16220(17) 0.05038(10) 0.0222(6) Uani 1 1 d . . . . .
O22 O 0.27696(18) 0.15290(16) 0.13378(10) 0.0198(5) Uani 1 1 d . . . . .
O23 O 0.17854(18) 0.25491(17) 0.13036(10) 0.0219(6) Uani 1 1 d . . . . .
O24 O 0.32075(18) 0.28909(17) 0.08870(10) 0.0229(6) Uani 1 1 d . . . . .
O25 O 0.32987(18) 0.30304(17) 0.22215(10) 0.0172(5) Uani 1 1 d . . . . .
O26 O 0.5524(2) 0.5050(2) 0.35014(12) 0.0349(7) Uani 1 1 d . . . . .
O27 O 0.5407(2) 0.37906(19) 0.37880(11) 0.0306(7) Uani 1 1 d . . . . .
O28 O 0.6710(2) 0.4859(2) 0.40166(14) 0.0459(9) Uani 1 1 d . . . . .
O29 O 0.2307(2) 0.1618(2) 0.47600(12) 0.0401(8) Uani 1 1 d . . . . .
O30 O 0.0812(2) 0.1039(3) 0.46549(13) 0.0467(9) Uani 1 1 d . . . . .
O31 O 0.1669(3) 0.1169(3) 0.54223(14) 0.0623(11) Uani 1 1 d . . . . .
O32 O 0.3200(2) 0.4524(2) 0.04310(13) 0.0384(8) Uani 1 1 d . . . . .
O33 O 0.4591(2) 0.5415(2) 0.05825(12) 0.0322(7) Uani 1 1 d . . . . .
O34 O 0.3517(2) 0.5697(2) 0.00372(13) 0.0414(8) Uani 1 1 d . . . . .
O35 O 0.3614(2) 0.02964(19) 0.18891(12) 0.0309(7) Uani 1 1 d D . . . .
O36 O 0.0395(2) 0.3081(2) 0.14568(12) 0.0334(7) Uani 1 1 d D . . . .
O37 O 0.0885(2) 0.39768(19) 0.25359(12) 0.0297(7) Uani 1 1 d D . . . .
O38 O -0.1096(3) 0.1495(3) 0.45335(16) 0.0613(11) Uani 1 1 d . . . . .
H38 H -0.0835 0.1333 0.4800 0.092 Uiso 1 1 calc R U . . .
O39 O 0.6023(2) 0.4871(2) 0.11583(12) 0.0320(7) Uani 1 1 d D . . . .
O40 O -0.0017(2) 0.1668(2) 0.38109(12) 0.0371(8) Uani 1 1 d . . . . .
H40A H -0.0037 0.2105 0.3630 0.056 Uiso 1 1 d R U . . .
H40B H -0.0104 0.1799 0.4127 0.056 Uiso 1 1 d R U . . .
O41 O 0.4798(2) 0.3533(2) 0.02962(12) 0.0343(7) Uani 1 1 d D . . . .
O42 O 0.0403(4) 0.2632(4) 0.6122(2) 0.0989(18) Uani 1 1 d . . . . .
H42 H 0.0908 0.2937 0.6051 0.148 Uiso 1 1 calc R U . . .
O43 O 0.2286(3) 0.3358(3) 0.6078(2) 0.0757(13) Uani 1 1 d . . . . .
H43B H 0.2618 0.3877 0.6076 0.114 Uiso 1 1 calc R U . . .
O44 O 0.3822(4) -0.0800(3) 0.25480(17) 0.0821(16) Uani 1 1 d . . . . .
H44 H 0.3806 -0.0477 0.2813 0.123 Uiso 1 1 calc R U . . .
O45 O -0.0317(3) 0.1158(3) 0.55193(17) 0.0563(10) Uani 1 1 d G . . . .
H45D H -0.0092 0.1644 0.5732 0.084 Uiso 1 1 d G U . . .
H45E H 0.0138 0.0960 0.5458 0.084 Uiso 1 1 d G U . . .
O46A O -0.0868(7) 0.2107(8) 0.2946(3) 0.045(3) Uani 0.57(2) 1 d . . P A 1
H46A H -0.0395 0.2190 0.2806 0.068 Uiso 0.57(2) 1 calc R U P A 1
O47 O 0.1609(6) -0.0737(4) 0.3133(4) 0.200(5) Uani 1 1 d . U . . .
O52 O 0.1124(2) -0.0088(2) 0.38333(13) 0.0384(8) Uani 1 1 d . . . . .
H52A H 0.1204 -0.0227 0.4153 0.058 Uiso 1 1 d R U . . .
H52B H 0.1505 -0.0262 0.3662 0.058 Uiso 1 1 d R U . . .
N1 N 0.5906(3) 0.4579(2) 0.37755(14) 0.0306(8) Uani 1 1 d . . . . .
N2 N 0.1605(3) 0.1277(3) 0.49617(15) 0.0381(9) Uani 1 1 d . . . . .
N3 N 0.3758(3) 0.5227(2) 0.03451(13) 0.0288(8) Uani 1 1 d . . . . .
N4 N 0.4259(3) 0.3812(2) 0.47846(14) 0.0295(8) Uani 1 1 d . . . . .
C1 C -0.0064(3) -0.0369(3) 0.21242(16) 0.0242(8) Uani 1 1 d . . . . .
C2 C -0.0715(3) -0.0732(3) 0.24297(16) 0.0293(9) Uani 1 1 d . . . . .
C3 C -0.0894(4) -0.1625(3) 0.24695(19) 0.0419(12) Uani 1 1 d . . . . .
H3 H -0.1329 -0.1897 0.2676 0.050 Uiso 1 1 calc R U . . .
C4 C -0.0454(4) -0.2122(3) 0.2216(2) 0.0464(13) Uani 1 1 d . . . . .
H4 H -0.0570 -0.2727 0.2260 0.056 Uiso 1 1 calc R U . . .
C5 C 0.0151(3) -0.1752(3) 0.18986(19) 0.0367(11) Uani 1 1 d . . . . .
H5 H 0.0437 -0.2108 0.1718 0.044 Uiso 1 1 calc R U . . .
C6 C 0.0354(3) -0.0862(3) 0.18372(16) 0.0252(9) Uani 1 1 d . . . . .
C7 C -0.1248(3) -0.0180(3) 0.26673(18) 0.0359(11) Uani 1 1 d . . . . .
H7 H -0.0798 0.0416 0.2798 0.043 Uiso 1 1 calc R U . . .
C8 C -0.2000(4) -0.0067(4) 0.2242(2) 0.0508(14) Uani 1 1 d . . . . .
H8A H -0.1715 0.0176 0.1953 0.076 Uiso 1 1 calc R U . . .
H8B H -0.2306 0.0334 0.2386 0.076 Uiso 1 1 calc R U . . .
H8C H -0.2464 -0.0640 0.2114 0.076 Uiso 1 1 calc R U . . .
C9 C -0.1664(4) -0.0549(4) 0.3130(2) 0.0652(18) Uani 1 1 d . . . . .
H9A H -0.2113 -0.1133 0.3013 0.098 Uiso 1 1 calc R U . . .
H9B H -0.1982 -0.0155 0.3270 0.098 Uiso 1 1 calc R U . . .
H9C H -0.1163 -0.0595 0.3404 0.098 Uiso 1 1 calc R U . . .
C10 C 0.0958(3) -0.0439(3) 0.14580(17) 0.0295(9) Uani 1 1 d . . . . .
H10 H 0.1402 0.0128 0.1645 0.035 Uiso 1 1 calc R U . . .
C11 C 0.0353(3) -0.0221(3) 0.09906(17) 0.0327(10) Uani 1 1 d . . . . .
H11A H -0.0081 -0.0767 0.0794 0.049 Uiso 1 1 calc R U . . .
H11B H 0.0754 0.0092 0.0762 0.049 Uiso 1 1 calc R U . . .
H11C H 0.0000 0.0151 0.1116 0.049 Uiso 1 1 calc R U . . .
C12 C 0.1536(3) -0.0993(3) 0.1269(2) 0.0427(12) Uani 1 1 d . . . . .
H12A H 0.1928 -0.1121 0.1571 0.064 Uiso 1 1 calc R U . . .
H12B H 0.1933 -0.0670 0.1043 0.064 Uiso 1 1 calc R U . . .
H12C H 0.1119 -0.1546 0.1072 0.064 Uiso 1 1 calc R U . . .
C13 C 0.4719(3) 0.0601(3) 0.37187(16) 0.0254(9) Uani 1 1 d . . . . .
C14 C 0.4309(3) -0.0115(3) 0.39668(17) 0.0296(9) Uani 1 1 d . . . . .
C15 C 0.4701(4) -0.0807(3) 0.39592(19) 0.0379(11) Uani 1 1 d . . . . .
H15 H 0.4448 -0.1305 0.4127 0.045 Uiso 1 1 calc R U . . .
C16 C 0.5441(4) -0.0784(3) 0.3717(2) 0.0410(12) Uani 1 1 d . . . . .
H16 H 0.5690 -0.1265 0.3716 0.049 Uiso 1 1 calc R U . . .
C17 C 0.5825(3) -0.0067(3) 0.34757(18) 0.0361(11) Uani 1 1 d . . . . .
H17 H 0.6338 -0.0060 0.3309 0.043 Uiso 1 1 calc R U . . .
C18 C 0.5474(3) 0.0651(3) 0.34714(16) 0.0286(9) Uani 1 1 d . . . . .
C19 C 0.3517(3) -0.0124(3) 0.42528(19) 0.0382(11) Uani 1 1 d . . . . .
H19 H 0.3094 0.0152 0.4041 0.046 Uiso 1 1 calc R U . . .
C20 C 0.2930(5) -0.1048(4) 0.4319(3) 0.0615(17) Uani 1 1 d . . . . .
H20A H 0.2756 -0.1422 0.3983 0.092 Uiso 1 1 calc R U . . .
H20B H 0.2365 -0.1014 0.4444 0.092 Uiso 1 1 calc R U . . .
H20C H 0.3295 -0.1299 0.4575 0.092 Uiso 1 1 calc R U . . .
C21 C 0.3894(4) 0.0442(4) 0.4780(2) 0.0522(14) Uani 1 1 d . . . . .
H21A H 0.4217 0.0134 0.5020 0.078 Uiso 1 1 calc R U . . .
H21B H 0.3375 0.0554 0.4924 0.078 Uiso 1 1 calc R U . . .
H21C H 0.4332 0.1002 0.4735 0.078 Uiso 1 1 calc R U . . .
C22 C 0.5871(3) 0.1452(3) 0.3208(2) 0.0385(11) Uani 1 1 d . . . . .
H22 H 0.5331 0.1628 0.3030 0.046 Uiso 1 1 calc R U . . .
C23 C 0.6471(4) 0.2223(3) 0.3605(3) 0.0542(15) Uani 1 1 d . . . . .
H23A H 0.6100 0.2358 0.3856 0.081 Uiso 1 1 calc R U . . .
H23B H 0.6694 0.2738 0.3425 0.081 Uiso 1 1 calc R U . . .
H23C H 0.7007 0.2072 0.3791 0.081 Uiso 1 1 calc R U . . .
C24 C 0.6404(4) 0.1263(4) 0.2786(2) 0.0573(16) Uani 1 1 d . . . . .
H24A H 0.6991 0.1175 0.2951 0.086 Uiso 1 1 calc R U . . .
H24B H 0.6539 0.1762 0.2583 0.086 Uiso 1 1 calc R U . . .
H24C H 0.6024 0.0732 0.2553 0.086 Uiso 1 1 calc R U . . .
C25 C 0.2159(3) 0.4993(3) 0.40490(16) 0.0274(9) Uani 1 1 d . . . . .
C26 C 0.1674(3) 0.4801(3) 0.44606(18) 0.0337(10) Uani 1 1 d . . . . .
C27 C 0.1932(4) 0.5450(3) 0.48907(19) 0.0428(12) Uani 1 1 d . . . . .
H27 H 0.1637 0.5341 0.5185 0.051 Uiso 1 1 calc R U . . .
C28 C 0.2604(4) 0.6248(4) 0.4901(2) 0.0462(13) Uani 1 1 d . . . . .
H28 H 0.2780 0.6671 0.5203 0.055 Uiso 1 1 calc R U . . .
C29 C 0.3019(4) 0.6427(3) 0.44713(19) 0.0416(12) Uani 1 1 d . . . . .
H29 H 0.3454 0.6988 0.4474 0.050 Uiso 1 1 calc R U . . .
C30 C 0.2813(3) 0.5803(3) 0.40340(17) 0.0316(10) Uani 1 1 d . . . . .
C31 C 0.0862(3) 0.3973(3) 0.4421(2) 0.0404(12) Uani 1 1 d . . . . .
H31 H 0.0920 0.3534 0.4145 0.049 Uiso 1 1 calc R U . . .
C32 C 0.0852(5) 0.3566(5) 0.4929(3) 0.079(2) Uani 1 1 d . . . . .
H32A H 0.1425 0.3401 0.5022 0.118 Uiso 1 1 calc R U . . .
H32B H 0.0309 0.3041 0.4884 0.118 Uiso 1 1 calc R U . . .
H32C H 0.0816 0.3993 0.5207 0.118 Uiso 1 1 calc R U . . .
C33 C -0.0041(4) 0.4176(5) 0.4249(3) 0.0728(19) Uani 1 1 d . . . . .
H33A H -0.0109 0.4612 0.4512 0.109 Uiso 1 1 calc R U . . .
H33B H -0.0565 0.3637 0.4212 0.109 Uiso 1 1 calc R U . . .
H33C H -0.0037 0.4411 0.3913 0.109 Uiso 1 1 calc R U . . .
C34 C 0.3196(4) 0.6022(3) 0.35442(18) 0.0377(11) Uani 1 1 d . . . . .
H34 H 0.3099 0.5455 0.3323 0.045 Uiso 1 1 calc R U . . .
C35 C 0.4234(4) 0.6516(4) 0.3644(2) 0.0575(16) Uani 1 1 d . . . . .
H35A H 0.4353 0.7075 0.3863 0.086 Uiso 1 1 calc R U . . .
H35B H 0.4433 0.6631 0.3310 0.086 Uiso 1 1 calc R U . . .
H35C H 0.4585 0.6159 0.3823 0.086 Uiso 1 1 calc R U . . .
C36 C 0.2630(5) 0.6534(4) 0.3239(2) 0.0668(19) Uani 1 1 d . . . . .
H36A H 0.1965 0.6202 0.3179 0.100 Uiso 1 1 calc R U . . .
H36B H 0.2827 0.6623 0.2903 0.100 Uiso 1 1 calc R U . . .
H36C H 0.2732 0.7106 0.3441 0.100 Uiso 1 1 calc R U . . .
C37 C 0.3567(3) 0.6523(3) 0.17074(16) 0.0266(9) Uani 1 1 d . . . . .
C38 C 0.2778(4) 0.6495(3) 0.13479(19) 0.0403(12) Uani 1 1 d . . . . .
C39 C 0.2900(5) 0.7065(4) 0.0969(2) 0.0602(17) Uani 1 1 d . . . . .
H39A H 0.2374 0.7071 0.0720 0.072 Uiso 1 1 calc R U . . .
C40 C 0.3757(6) 0.7614(4) 0.0946(2) 0.0650(19) Uani 1 1 d . . . . .
H40 H 0.3821 0.7984 0.0676 0.078 Uiso 1 1 calc R U . . .
C41 C 0.4533(4) 0.7642(3) 0.1310(2) 0.0511(14) Uani 1 1 d . . . . .
H41A H 0.5124 0.8036 0.1292 0.061 Uiso 1 1 calc R U . . .
C42 C 0.4452(3) 0.7088(3) 0.17070(18) 0.0344(10) Uani 1 1 d . . . . .
C43 C 0.1819(4) 0.5912(3) 0.1376(2) 0.0491(14) Uani 1 1 d . . . . .
H43 H 0.1904 0.5570 0.1676 0.059 Uiso 1 1 calc R U . B 1
C44 C 0.1355(6) 0.5245(6) 0.0903(4) 0.064(3) Uani 0.852(16) 1 d . . P C 1
H44A H 0.1292 0.5548 0.0592 0.096 Uiso 0.852(16) 1 calc R U P C 1
H44B H 0.0735 0.4900 0.0952 0.096 Uiso 0.852(16) 1 calc R U P C 1
H44C H 0.1736 0.4853 0.0858 0.096 Uiso 0.852(16) 1 calc R U P C 1
C45 C 0.1182(4) 0.6444(4) 0.1509(3) 0.0588(15) Uani 1 1 d . . . . .
H45A H 0.1468 0.6823 0.1841 0.088 Uiso 1 1 calc R U . . .
H45B H 0.0578 0.6043 0.1542 0.088 Uiso 1 1 calc R U . . .
H45C H 0.1090 0.6808 0.1231 0.088 Uiso 1 1 calc R U . . .
C46 C 0.5280(4) 0.7131(3) 0.2123(2) 0.0499(14) Uani 1 1 d . . . . .
H46 H 0.5113 0.6589 0.2301 0.060 Uiso 1 1 calc R U . . .
C47 C 0.5515(5) 0.7915(6) 0.2533(3) 0.085(2) Uani 1 1 d . . . . .
H47A H 0.5648 0.8456 0.2366 0.128 Uiso 1 1 calc R U . . .
H47B H 0.6065 0.7924 0.2789 0.128 Uiso 1 1 calc R U . . .
H47C H 0.4985 0.7874 0.2710 0.128 Uiso 1 1 calc R U . . .
C48 C 0.6133(6) 0.7141(7) 0.1892(4) 0.120(4) Uani 1 1 d . . . . .
H48A H 0.5947 0.6738 0.1566 0.180 Uiso 1 1 calc R U . . .
H48B H 0.6572 0.6955 0.2141 0.180 Uiso 1 1 calc R U . . .
H48C H 0.6434 0.7738 0.1820 0.180 Uiso 1 1 calc R U . . .
C49 C 0.6998(3) 0.3548(3) 0.18646(17) 0.0251(9) Uani 1 1 d . . . . .
C50 C 0.7034(3) 0.3149(3) 0.13788(19) 0.0356(10) Uani 1 1 d . . . . .
C51 C 0.7678(4) 0.3638(4) 0.1103(2) 0.0464(13) Uani 1 1 d . . . . .
H51 H 0.7716 0.3393 0.0767 0.056 Uiso 1 1 calc R U . . .
C52 C 0.8255(4) 0.4460(4) 0.1304(2) 0.0541(16) Uani 1 1 d . . . . .
H52 H 0.8682 0.4778 0.1106 0.065 Uiso 1 1 calc R U . . .
C53 C 0.8222(3) 0.4828(3) 0.1786(2) 0.0457(13) Uani 1 1 d . . . . .
H53 H 0.8640 0.5393 0.1924 0.055 Uiso 1 1 calc R U . . .
C54 C 0.7585(3) 0.4389(3) 0.20819(19) 0.0340(10) Uani 1 1 d . . . . .
C55 C 0.6433(3) 0.2233(4) 0.1171(2) 0.0492(14) Uani 1 1 d . . . . .
H55 H 0.5817 0.2149 0.1282 0.059 Uiso 1 1 calc R U . . .
C56 C 0.6248(6) 0.2048(5) 0.0567(3) 0.087(3) Uani 1 1 d . . . . .
H56A H 0.6066 0.2531 0.0415 0.131 Uiso 1 1 calc R U . . .
H56B H 0.5743 0.1497 0.0451 0.131 Uiso 1 1 calc R U . . .
H56C H 0.6816 0.2000 0.0452 0.131 Uiso 1 1 calc R U . . .
C57 C 0.6857(4) 0.1558(4) 0.1396(2) 0.0524(14) Uani 1 1 d . . . . .
H57A H 0.7447 0.1607 0.1278 0.079 Uiso 1 1 calc R U . . .
H57B H 0.6424 0.0967 0.1278 0.079 Uiso 1 1 calc R U . . .
H57C H 0.6972 0.1663 0.1779 0.079 Uiso 1 1 calc R U . . .
C58 C 0.7506(3) 0.4800(4) 0.2611(2) 0.0455(13) Uani 1 1 d . . . . .
C59A C 0.7038(5) 0.5492(5) 0.2560(3) 0.0521(18) Uani 0.739(9) 1 d . . P D 1
H59A H 0.7411 0.5973 0.2400 0.078 Uiso 0.739(9) 1 calc R U P D 1
H59B H 0.6975 0.5718 0.2908 0.078 Uiso 0.739(9) 1 calc R U P D 1
H59C H 0.6417 0.5244 0.2340 0.078 Uiso 0.739(9) 1 calc R U P D 1
C60A C 0.8449(5) 0.5128(6) 0.3007(3) 0.055(2) Uani 0.705(10) 1 d . . P D 1
H60A H 0.8719 0.4643 0.3047 0.082 Uiso 0.705(10) 1 calc R U P D 1
H60B H 0.8340 0.5337 0.3346 0.082 Uiso 0.705(10) 1 calc R U P D 1
H60C H 0.8881 0.5609 0.2877 0.082 Uiso 0.705(10) 1 calc R U P D 1
C61 C 0.1904(3) 0.1707(3) -0.00103(15) 0.0230(8) Uani 1 1 d . . . . .
C62 C 0.1607(3) 0.2352(3) -0.02647(15) 0.0237(8) Uani 1 1 d . . . . .
C63 C 0.1709(3) 0.2380(3) -0.07848(16) 0.0293(9) Uani 1 1 d . . . . .
H63 H 0.1536 0.2817 -0.0970 0.035 Uiso 1 1 calc R U . . .
C64 C 0.2055(3) 0.1789(3) -0.10382(17) 0.0334(10) Uani 1 1 d . . . . .
H64 H 0.2112 0.1821 -0.1394 0.040 Uiso 1 1 calc R U . . .
C65 C 0.2317(3) 0.1154(3) -0.07787(17) 0.0326(10) Uani 1 1 d . . . . .
H65 H 0.2552 0.0750 -0.0957 0.039 Uiso 1 1 calc R U . . .
C66 C 0.2242(3) 0.1099(3) -0.02534(16) 0.0281(9) Uani 1 1 d . . . . .
C67 C 0.1170(3) 0.2958(3) 0.00109(16) 0.0266(9) Uani 1 1 d . . . . .
H67 H 0.1587 0.3218 0.0356 0.032 Uiso 1 1 calc R U . . .
C68 C 0.1053(3) 0.3709(3) -0.02939(19) 0.0375(11) Uani 1 1 d . . . . .
H68A H 0.1665 0.4064 -0.0348 0.056 Uiso 1 1 calc R U . . .
H68B H 0.0776 0.4078 -0.0096 0.056 Uiso 1 1 calc R U . . .
H68C H 0.0644 0.3469 -0.0634 0.056 Uiso 1 1 calc R U . . .
C69 C 0.0216(3) 0.2431(3) 0.01141(18) 0.0340(10) Uani 1 1 d . . . . .
H69A H -0.0200 0.2160 -0.0219 0.051 Uiso 1 1 calc R U . . .
H69B H -0.0054 0.2826 0.0297 0.051 Uiso 1 1 calc R U . . .
H69C H 0.0292 0.1972 0.0331 0.051 Uiso 1 1 calc R U . . .
C70 C 0.2479(3) 0.0364(3) 0.00216(18) 0.0335(10) Uani 1 1 d . . . . .
H70 H 0.2449 0.0480 0.0399 0.040 Uiso 1 1 calc R U . . .
C71 C 0.1758(4) -0.0516(3) -0.0198(2) 0.0532(14) Uani 1 1 d . . . . .
H71A H 0.1134 -0.0483 -0.0170 0.080 Uiso 1 1 calc R U . . .
H71B H 0.1893 -0.0977 0.0000 0.080 Uiso 1 1 calc R U . . .
H71C H 0.1783 -0.0654 -0.0567 0.080 Uiso 1 1 calc R U . . .
C72 C 0.3459(4) 0.0321(4) -0.0008(3) 0.0554(15) Uani 1 1 d . . . . .
H72A H 0.3520 0.0245 -0.0376 0.083 Uiso 1 1 calc R U . . .
H72B H 0.3566 -0.0176 0.0163 0.083 Uiso 1 1 calc R U . . .
H72C H 0.3920 0.0868 0.0169 0.083 Uiso 1 1 calc R U . . .
C73 C 0.4076(4) 0.0201(3) 0.1464(2) 0.0460(13) Uani 1 1 d D . . . .
H73A H 0.3951 0.0590 0.1207 0.069 Uiso 1 1 calc R U . . .
H73B H 0.3846 -0.0410 0.1298 0.069 Uiso 1 1 calc R U . . .
H73C H 0.4750 0.0357 0.1594 0.069 Uiso 1 1 calc R U . . .
C74 C -0.0570(3) 0.2575(4) 0.1417(2) 0.0503(14) Uani 1 1 d D . . . .
H74A H -0.0918 0.2587 0.1069 0.076 Uiso 1 1 calc R U . . .
H74B H -0.0837 0.2828 0.1684 0.076 Uiso 1 1 calc R U . . .
H74C H -0.0608 0.1966 0.1469 0.076 Uiso 1 1 calc R U . . .
C75 C 0.0569(5) 0.4660(4) 0.2348(2) 0.0572(16) Uani 1 1 d D . . . .
H75A H 0.0323 0.4516 0.1972 0.086 Uiso 1 1 calc R U . . .
H75B H 0.1088 0.5207 0.2413 0.086 Uiso 1 1 calc R U . . .
H75C H 0.0074 0.4736 0.2529 0.086 Uiso 1 1 calc R U . . .
C76 C 0.4262(3) 0.2835(3) -0.01028(18) 0.0354(10) Uani 1 1 d D . . . .
H76A H 0.4448 0.2965 -0.0438 0.053 Uiso 1 1 calc R U . . .
H76B H 0.3597 0.2780 -0.0129 0.053 Uiso 1 1 calc R U . . .
H76C H 0.4372 0.2283 -0.0015 0.053 Uiso 1 1 calc R U . . .
C77 C 0.3485(3) 0.3739(3) 0.50806(19) 0.0390(11) Uani 1 1 d . . . . .
H77A H 0.2986 0.3189 0.4949 0.059 Uiso 1 1 calc R U . . .
H77B H 0.3239 0.4238 0.5035 0.059 Uiso 1 1 calc R U . . .
H77C H 0.3720 0.3741 0.5453 0.059 Uiso 1 1 calc R U . . .
C78 C 0.4491(3) 0.2967(3) 0.47442(18) 0.0345(10) Uani 1 1 d . . . . .
H78A H 0.4678 0.2823 0.5096 0.052 Uiso 1 1 calc R U . . .
H78B H 0.5006 0.3026 0.4553 0.052 Uiso 1 1 calc R U . . .
H78C H 0.3943 0.2496 0.4557 0.052 Uiso 1 1 calc R U . . .
C79 C 0.5106(3) 0.4567(3) 0.50080(18) 0.0315(10) Uani 1 1 d . . . . .
H79A H 0.5604 0.4564 0.4807 0.038 Uiso 1 1 calc R U . . .
H79B H 0.5336 0.4498 0.5375 0.038 Uiso 1 1 calc R U . . .
C80 C -0.2000(5) 0.0903(5) 0.4357(3) 0.074(2) Uani 1 1 d . . . . .
H80A H -0.2184 0.0903 0.3980 0.111 Uiso 1 1 calc R U . . .
H80B H -0.2443 0.1085 0.4540 0.111 Uiso 1 1 calc R U . . .
H80C H -0.1999 0.0310 0.4429 0.111 Uiso 1 1 calc R U . . .
C81 C -0.0220(8) 0.3161(7) 0.6142(5) 0.142(5) Uani 1 1 d . . . . .
H81A H -0.0820 0.2860 0.5911 0.213 Uiso 1 1 calc R U . . .
H81B H 0.0055 0.3732 0.6028 0.213 Uiso 1 1 calc R U . . .
H81C H -0.0320 0.3249 0.6502 0.213 Uiso 1 1 calc R U . . .
C82 C 0.2850(6) 0.2865(5) 0.6332(3) 0.085(2) Uani 1 1 d . . . . .
H82A H 0.3108 0.2585 0.6071 0.128 Uiso 1 1 calc R U . . .
H82B H 0.2464 0.2413 0.6505 0.128 Uiso 1 1 calc R U . . .
H82C H 0.3361 0.3263 0.6593 0.128 Uiso 1 1 calc R U . . .
C83 C 0.3212(6) -0.1601(5) 0.2530(3) 0.096(3) Uani 1 1 d . . . . .
H83A H 0.3165 -0.1951 0.2197 0.144 Uiso 1 1 calc R U . . .
H83B H 0.2598 -0.1543 0.2561 0.144 Uiso 1 1 calc R U . . .
H83C H 0.3429 -0.1896 0.2820 0.144 Uiso 1 1 calc R U . . .
C84 C -0.1217(5) 0.2779(5) 0.2892(3) 0.075(2) Uani 1 1 d . . . . .
C128 C 0.6645(3) 0.5611(3) 0.0991(2) 0.0403(11) Uani 1 1 d D . . . .
H12D H 0.6283 0.5899 0.0759 0.060 Uiso 1 1 calc R U . . .
H12E H 0.7072 0.5412 0.0803 0.060 Uiso 1 1 calc R U . . .
H12F H 0.7006 0.6029 0.1297 0.060 Uiso 1 1 calc R U . . .
C60B C 0.7948(13) 0.4547(15) 0.3003(8) 0.055(2) Uani 0.295(10) 1 d . . P D 2
H60D H 0.7690 0.3909 0.2996 0.082 Uiso 0.295(10) 1 calc R U P D 2
H60E H 0.7878 0.4844 0.3329 0.082 Uiso 0.295(10) 1 calc R U P D 2
H60F H 0.8611 0.4695 0.2982 0.082 Uiso 0.295(10) 1 calc R U P D 2
C59B C 0.7991(15) 0.5910(14) 0.2570(9) 0.0521(18) Uani 0.261(9) 1 d . . P D 2
H59D H 0.8673 0.6061 0.2646 0.078 Uiso 0.261(9) 1 calc R U P D 2
H59E H 0.7785 0.6259 0.2824 0.078 Uiso 0.261(9) 1 calc R U P D 2
H59F H 0.7787 0.6038 0.2216 0.078 Uiso 0.261(9) 1 calc R U P D 2
C44A C 0.140(4) 0.568(3) 0.067(2) 0.064(3) Uani 0.148(16) 1 d . . P C 2
H44D H 0.1322 0.6208 0.0526 0.096 Uiso 0.148(16) 1 calc R U P C 2
H44E H 0.0801 0.5210 0.0590 0.096 Uiso 0.148(16) 1 calc R U P C 2
H44F H 0.1857 0.5482 0.0501 0.096 Uiso 0.148(16) 1 calc R U P C 2
O46B O -0.0394(9) 0.2667(10) 0.3078(3) 0.038(4) Uani 0.43(2) 1 d . . P A 2
H46B H -0.0220 0.2409 0.2839 0.058 Uiso 0.43(2) 1 calc R U P A 2
H35 H 0.369(3) -0.009(2) 0.2096(10) 0.058 Uiso 1 1 d D U . . .
H36 H 0.0494(14) 0.304(3) 0.1131(4) 0.058 Uiso 1 1 d D U . . .
H37 H 0.097(3) 0.406(3) 0.2878(4) 0.058 Uiso 1 1 d D U . . .
H39 H 0.6343(12) 0.464(2) 0.1383(17) 0.058 Uiso 1 1 d D U . . .
H41 H 0.5332(17) 0.379(2) 0.0210(13) 0.058 Uiso 1 1 d D U . . .
H4A H 0.403(4) 0.393(4) 0.444(2) 0.051(16) Uiso 1 1 d . . . . .
H25 H 0.344(3) 0.329(3) 0.2001(18) 0.025(13) Uiso 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O19 Dy2 O22 91.92(10) . .
O19 Dy2 O4 155.96(9) . .
O22 Dy2 O4 84.85(9) . .
O19 Dy2 O35 80.73(10) . .
O22 Dy2 O35 81.27(10) . .
O4 Dy2 O35 122.04(10) . .
O19 Dy2 O25 81.52(9) . .
O22 Dy2 O25 83.15(9) . .
O4 Dy2 O25 74.45(9) . .
O35 Dy2 O25 155.89(10) . .
O19 Dy2 O8 110.95(10) . .
O22 Dy2 O8 144.07(9) . .
O4 Dy2 O8 84.29(9) . .
O35 Dy2 O8 75.84(10) . .
O25 Dy2 O8 126.12(9) . .
O19 Dy2 O7 84.71(9) . .
O22 Dy2 O7 153.38(9) . .
O4 Dy2 O7 87.59(9) . .
O35 Dy2 O7 123.89(10) . .
O25 Dy2 O7 70.23(9) . .
O8 Dy2 O7 59.77(8) . .
O19 Dy2 P2 101.17(7) . .
O22 Dy2 P2 166.87(7) . .
O4 Dy2 P2 82.82(7) . .
O35 Dy2 P2 101.52(8) . .
O25 Dy2 P2 97.82(7) . .
O8 Dy2 P2 29.62(6) . .
O7 Dy2 P2 30.34(6) . .
O19 Dy2 Dy1 73.00(7) . .
O22 Dy2 Dy1 117.89(6) . .
O4 Dy2 Dy1 87.47(6) . .
O35 Dy2 Dy1 147.43(8) . .
O25 Dy2 Dy1 35.92(6) . .
O8 Dy2 Dy1 95.71(6) . .
O7 Dy2 Dy1 36.11(6) . .
P2 Dy2 Dy1 66.10(2) . .
O19 Dy2 Dy3 116.50(7) . .
O22 Dy2 Dy3 75.24(6) . .
O4 Dy2 Dy3 39.72(6) . .
O35 Dy2 Dy3 150.95(8) . .
O25 Dy2 Dy3 35.91(6) . .
O8 Dy2 Dy3 114.81(7) . .
O7 Dy2 Dy3 82.67(6) . .
P2 Dy2 Dy3 97.824(19) . .
Dy1 Dy2 Dy3 61.100(9) . .
O15 Dy3 O23 90.98(10) . .
O15 Dy3 O11 91.51(10) . .
O23 Dy3 O11 146.98(9) . .
O15 Dy3 O3 150.74(9) . .
O23 Dy3 O3 107.25(10) . .
O11 Dy3 O3 85.43(9) . .
O15 Dy3 O25 79.69(9) . .
O23 Dy3 O25 77.98(9) . .
O11 Dy3 O25 70.11(9) . .
O3 Dy3 O25 125.73(9) . .
O15 Dy3 O36 89.18(10) . .
O23 Dy3 O36 65.83(10) . .
O11 Dy3 O36 147.12(9) . .
O3 Dy3 O36 78.26(10) . .
O25 Dy3 O36 141.94(9) . .
O15 Dy3 O37 77.19(10) . .
O23 Dy3 O37 137.87(10) . .
O11 Dy3 O37 74.52(9) . .
O3 Dy3 O37 73.95(10) . .
O25 Dy3 O37 136.78(10) . .
O36 Dy3 O37 73.61(10) . .
O15 Dy3 O4 148.78(9) . .
O23 Dy3 O4 79.93(9) . .
O11 Dy3 O4 81.02(9) . .
O3 Dy3 O4 59.31(8) . .
O25 Dy3 O4 69.24(9) . .
O36 Dy3 O4 113.34(10) . .
O37 Dy3 O4 128.47(9) . .
O15 Dy3 P1 172.28(8) . .
O23 Dy3 P1 95.52(7) . .
O11 Dy3 P1 80.77(7) . .
O3 Dy3 P1 29.24(7) . .
O25 Dy3 P1 97.58(7) . .
O36 Dy3 P1 97.26(8) . .
O37 Dy3 P1 100.50(7) . .
O4 Dy3 P1 30.14(6) . .
O15 Dy3 Dy2 113.60(7) . .
O23 Dy3 Dy2 70.00(7) . .
O11 Dy3 Dy2 78.88(6) . .
O3 Dy3 Dy2 94.39(7) . .
O25 Dy3 Dy2 35.04(6) . .
O36 Dy3 Dy2 130.26(7) . .
O37 Dy3 Dy2 151.61(7) . .
O4 Dy3 Dy2 35.27(6) . .
P1 Dy3 Dy2 65.15(2) . .
O15 Dy3 Dy1 73.26(7) . .
O23 Dy3 Dy1 111.99(7) . .
O11 Dy3 Dy1 38.50(6) . .
O3 Dy3 Dy1 117.96(7) . .
O25 Dy3 Dy1 34.68(6) . .
O36 Dy3 Dy1 162.38(8) . .
O37 Dy3 Dy1 103.09(7) . .
O4 Dy3 Dy1 82.53(6) . .
P1 Dy3 Dy1 100.36(2) . .
Dy2 Dy3 Dy1 59.049(8) . .
O14 Dy1 O20 94.04(10) . .
O14 Dy1 O7 152.41(10) . .
O20 Dy1 O7 87.81(9) . .
O14 Dy1 O25 79.98(9) . .
O20 Dy1 O25 79.42(9) . .
O7 Dy1 O25 73.31(9) . .
O14 Dy1 O12 99.30(9) . .
O20 Dy1 O12 153.47(10) . .
O7 Dy1 O12 90.75(9) . .
O25 Dy1 O12 125.37(9) . .
O14 Dy1 O27 129.09(10) . .
O20 Dy1 O27 78.60(10) . .
O7 Dy1 O27 78.27(9) . .
O25 Dy1 O27 144.46(9) . .
O12 Dy1 O27 75.18(9) . .
O14 Dy1 O26 77.57(10) . .
O20 Dy1 O26 77.94(10) . .
O7 Dy1 O26 129.48(10) . .
O25 Dy1 O26 146.67(10) . .
O12 Dy1 O26 82.65(10) . .
O27 Dy1 O26 51.55(10) . .
O14 Dy1 O11 84.33(9) . .
O20 Dy1 O11 146.21(9) . .
O7 Dy1 O11 79.11(9) . .
O25 Dy1 O11 67.03(8) . .
O12 Dy1 O11 58.64(8) . .
O27 Dy1 O11 127.68(9) . .
O26 Dy1 O11 133.74(9) . .
O14 Dy1 N1 103.33(10) . .
O20 Dy1 N1 73.46(10) . .
O7 Dy1 N1 103.58(10) . .
O25 Dy1 N1 152.83(9) . .
O12 Dy1 N1 81.16(9) . .
O27 Dy1 N1 26.09(10) . .
O26 Dy1 N1 25.90(10) . .
O11 Dy1 N1 139.80(9) . .
O14 Dy1 P3 94.12(7) . .
O20 Dy1 P3 169.83(7) . .
O7 Dy1 P3 82.15(6) . .
O25 Dy1 P3 96.05(7) . .
O12 Dy1 P3 29.34(7) . .
O27 Dy1 P3 100.81(7) . .
O26 Dy1 P3 109.79(8) . .
O11 Dy1 P3 29.44(6) . .
N1 Dy1 P3 110.43(7) . .
O14 Dy1 Dy2 115.04(7) . .
O20 Dy1 Dy2 72.81(7) . .
O7 Dy1 Dy2 39.72(6) . .
O25 Dy1 Dy2 35.49(6) . .
O12 Dy1 Dy2 120.51(6) . .
O27 Dy1 Dy2 110.54(7) . .
O26 Dy1 Dy2 148.68(7) . .
O11 Dy1 Dy2 77.39(6) . .
N1 Dy1 Dy2 129.83(7) . .
P3 Dy1 Dy2 98.19(2) . .
O14 Dy1 Dy3 70.01(7) . .
O20 Dy1 Dy3 113.39(7) . .
O7 Dy1 Dy3 83.98(6) . .
O25 Dy1 Dy3 35.11(6) . .
O12 Dy1 Dy3 92.77(6) . .
O27 Dy1 Dy3 158.27(7) . .
O26 Dy1 Dy3 146.07(7) . .
O11 Dy1 Dy3 34.83(6) . .
N1 Dy1 Dy3 170.28(7) . .
P3 Dy1 Dy3 64.07(2) . .
Dy2 Dy1 Dy3 59.852(6) . .
O6 Dy4 O2 86.01(10) . .
O6 Dy4 O10 81.60(10) . .
O2 Dy4 O10 99.45(10) . .
O6 Dy4 O40 161.98(11) . .
O2 Dy4 O40 82.75(11) . .
O10 Dy4 O40 86.40(11) . .
O6 Dy4 O52 86.54(11) . .
O2 Dy4 O52 80.97(11) . .
O10 Dy4 O52 168.06(11) . .
O40 Dy4 O52 105.44(12) . .
O6 Dy4 O30 126.73(11) . .
O2 Dy4 O30 136.21(11) . .
O10 Dy4 O30 112.22(11) . .
O40 Dy4 O30 70.41(12) . .
O52 Dy4 O30 74.05(12) . .
O6 Dy4 O29 79.43(10) . .
O2 Dy4 O29 163.00(11) . .
O10 Dy4 O29 87.12(11) . .
O40 Dy4 O29 113.47(11) . .
O52 Dy4 O29 89.40(11) . .
O30 Dy4 O29 51.98(11) . .
O6 Dy4 N2 102.92(11) . .
O2 Dy4 N2 158.56(11) . .
O10 Dy4 N2 101.12(11) . .
O40 Dy4 N2 92.52(11) . .
O52 Dy4 N2 80.18(12) . .
O30 Dy4 N2 26.11(11) . .
O29 Dy4 N2 25.88(11) . .
O16 Dy5 O24 100.49(10) . .
O16 Dy5 O18 89.21(10) . .
O24 Dy5 O18 88.43(10) . .
O16 Dy5 O41 170.54(11) . .
O24 Dy5 O41 83.86(10) . .
O18 Dy5 O41 99.35(11) . .
O16 Dy5 O39 101.76(11) . .
O24 Dy5 O39 150.44(10) . .
O18 Dy5 O39 72.72(10) . .
O41 Dy5 O39 77.23(11) . .
O16 Dy5 O33 88.10(10) . .
O24 Dy5 O33 128.64(10) . .
O18 Dy5 O33 142.66(10) . .
O41 Dy5 O33 82.66(11) . .
O39 Dy5 O33 71.44(10) . .
O16 Dy5 O32 86.11(11) . .
O24 Dy5 O32 78.07(10) . .
O18 Dy5 O32 164.63(10) . .
O41 Dy5 O32 86.59(12) . .
O39 Dy5 O32 122.58(10) . .
O33 Dy5 O32 51.86(10) . .
O16 Dy5 N3 86.92(10) . .
O24 Dy5 N3 103.42(10) . .
O18 Dy5 N3 168.02(10) . .
O41 Dy5 N3 83.89(11) . .
O39 Dy5 N3 96.99(10) . .
O33 Dy5 N3 25.91(10) . .
O32 Dy5 N3 25.96(10) . .
O2 P1 O3 114.65(16) . .
O2 P1 O4 113.62(16) . .
O3 P1 O4 105.58(15) . .
O2 P1 O1 108.70(15) . .
O3 P1 O1 103.80(15) . .
O4 P1 O1 110.00(14) . .
O2 P1 Dy3 129.09(11) . .
O3 P1 Dy3 48.79(10) . .
O4 P1 Dy3 56.94(10) . .
O1 P1 Dy3 121.66(11) . .
O6 P2 O8 115.92(16) . .
O6 P2 O7 112.71(15) . .
O8 P2 O7 106.29(15) . .
O6 P2 O5 104.36(15) . .
O8 P2 O5 109.46(15) . .
O7 P2 O5 107.87(15) . .
O6 P2 Dy2 127.63(12) . .
O8 P2 Dy2 50.57(10) . .
O7 P2 Dy2 56.16(10) . .
O5 P2 Dy2 128.01(10) . .
O10 P3 O11 115.39(16) . .
O10 P3 O12 113.85(16) . .
O11 P3 O12 106.40(15) . .
O10 P3 O9 107.24(15) . .
O11 P3 O9 103.93(15) . .
O12 P3 O9 109.50(15) . .
O10 P3 Dy1 128.97(11) . .
O11 P3 Dy1 54.91(10) . .
O12 P3 Dy1 51.83(10) . .
O9 P3 Dy1 123.79(11) . .
O14 P4 O15 111.97(16) . .
O14 P4 O16 112.98(16) . .
O15 P4 O16 112.00(16) . .
O14 P4 O13 104.79(15) . .
O15 P4 O13 107.04(15) . .
O16 P4 O13 107.53(15) . .
O20 P5 O19 112.41(16) . .
O20 P5 O18 112.52(16) . .
O19 P5 O18 113.37(16) . .
O20 P5 O17 107.18(16) . .
O19 P5 O17 104.69(15) . .
O18 P5 O17 105.94(15) . .
O23 P6 O22 112.12(15) . .
O23 P6 O24 112.54(16) . .
O22 P6 O24 112.79(15) . .
O23 P6 O21 104.48(15) . .
O22 P6 O21 106.01(15) . .
O24 P6 O21 108.26(14) . .
C1 O1 P1 125.3(2) . .
P1 O2 Dy4 148.30(17) . .
P1 O3 Dy3 101.97(13) . .
P1 O4 Dy2 159.73(16) . .
P1 O4 Dy3 92.93(12) . .
Dy2 O4 Dy3 105.01(9) . .
C13 O5 P2 124.9(2) . .
P2 O6 Dy4 154.26(18) . .
P2 O7 Dy1 159.16(16) . .
P2 O7 Dy2 93.50(12) . .
Dy1 O7 Dy2 104.17(10) . .
P2 O8 Dy2 99.81(13) . .
C25 O9 P3 121.3(3) . .
P3 O10 Dy4 146.61(17) . .
P3 O11 Dy3 156.15(16) . .
P3 O11 Dy1 95.65(13) . .
Dy3 O11 Dy1 106.67(9) . .
P3 O12 Dy1 98.83(13) . .
C37 O13 P4 125.1(2) . .
P4 O14 Dy1 134.17(16) . .
P4 O15 Dy3 133.90(16) . .
P4 O16 Dy5 159.39(18) . .
C49 O17 P5 123.7(3) . .
P5 O18 Dy5 162.14(16) . .
P5 O19 Dy2 131.12(16) . .
P5 O20 Dy1 132.99(16) . .
C61 O21 P6 127.7(2) . .
P6 O22 Dy2 131.39(15) . .
P6 O23 Dy3 138.33(16) . .
P6 O24 Dy5 154.44(17) . .
Dy2 O25 Dy1 108.59(10) . .
Dy2 O25 Dy3 109.05(10) . .
Dy1 O25 Dy3 110.21(10) . .
Dy2 O25 H25 119(3) . .
Dy1 O25 H25 111(4) . .
Dy3 O25 H25 98(4) . .
N1 O26 Dy1 95.0(2) . .
N1 O27 Dy1 95.0(2) . .
N2 O29 Dy4 95.7(3) . .
N2 O30 Dy4 95.8(2) . .
N3 O32 Dy5 95.0(2) . .
N3 O33 Dy5 96.4(2) . .
C73 O35 Dy2 126.4(3) . .
C73 O35 H35 107.8(15) . .
Dy2 O35 H35 121.2(15) . .
C74 O36 Dy3 127.6(3) . .
C74 O36 H36 104.3(16) . .
Dy3 O36 H36 114.1(15) . .
C75 O37 Dy3 129.1(3) . .
C75 O37 H37 107.5(15) . .
Dy3 O37 H37 118.6(15) . .
C80 O38 H38 109.5 . .
C128 O39 Dy5 139.7(3) . .
C128 O39 H39 109.3(13) . .
Dy5 O39 H39 110.9(13) . .
Dy4 O40 H40A 109.7 . .
Dy4 O40 H40B 109.5 . .
H40A O40 H40B 109.2 . .
C76 O41 Dy5 130.1(2) . .
C76 O41 H41 109.7(14) . .
Dy5 O41 H41 119.9(14) . .
C81 O42 H42 109.5 . .
C82 O43 H43B 109.5 . .
C83 O44 H44 109.5 . .
H45D O45 H45E 109.4 . .
C84 O46A H46A 109.5 . .
Dy4 O52 H52A 109.9 . .
Dy4 O52 H52B 109.9 . .
H52A O52 H52B 109.1 . .
O28 N1 O26 122.2(4) . .
O28 N1 O27 121.3(4) . .
O26 N1 O27 116.5(3) . .
O28 N1 Dy1 168.3(3) . .
O26 N1 Dy1 59.1(2) . .
O27 N1 Dy1 58.93(19) . .
O31 N2 O29 122.7(4) . .
O31 N2 O30 120.8(4) . .
O29 N2 O30 116.5(4) . .
O31 N2 Dy4 176.8(4) . .
O29 N2 Dy4 58.5(2) . .
O30 N2 Dy4 58.1(2) . .
O34 N3 O32 122.3(4) . .
O34 N3 O33 121.0(4) . .
O32 N3 O33 116.7(3) . .
O34 N3 Dy5 177.6(3) . .
O32 N3 Dy5 59.0(2) . .
O33 N3 Dy5 57.70(19) . .
C77 N4 C78 110.3(4) . .
C77 N4 C79 113.1(3) . .
C78 N4 C79 111.2(3) . .
C77 N4 H4A 106(3) . .
C78 N4 H4A 109(3) . .
C79 N4 H4A 107(3) . .
C6 C1 C2 123.5(4) . .
C6 C1 O1 118.2(3) . .
C2 C1 O1 118.1(4) . .
C3 C2 C1 116.7(4) . .
C3 C2 C7 122.6(4) . .
C1 C2 C7 120.5(4) . .
C4 C3 C2 121.3(4) . .
C4 C3 H3 119.3 . .
C2 C3 H3 119.3 . .
C5 C4 C3 120.4(4) . .
C5 C4 H4 119.8 . .
C3 C4 H4 119.8 . .
C4 C5 C6 121.2(4) . .
C4 C5 H5 119.4 . .
C6 C5 H5 119.4 . .
C1 C6 C5 116.7(4) . .
C1 C6 C10 120.2(4) . .
C5 C6 C10 123.0(4) . .
C2 C7 C8 109.2(4) . .
C2 C7 C9 113.7(4) . .
C8 C7 C9 111.0(4) . .
C2 C7 H7 107.6 . .
C8 C7 H7 107.6 . .
C9 C7 H7 107.6 . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C6 C10 C12 113.6(4) . .
C6 C10 C11 110.1(3) . .
C12 C10 C11 110.2(4) . .
C6 C10 H10 107.6 . .
C12 C10 H10 107.6 . .
C11 C10 H10 107.6 . .
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 . .
C10 C12 H12A 109.5 . .
C10 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C10 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C18 C13 C14 123.7(4) . .
C18 C13 O5 117.1(4) . .
C14 C13 O5 119.1(4) . .
C13 C14 C15 116.3(4) . .
C13 C14 C19 121.9(4) . .
C15 C14 C19 121.7(4) . .
C16 C15 C14 121.7(4) . .
C16 C15 H15 119.2 . .
C14 C15 H15 119.2 . .
C15 C16 C17 120.3(4) . .
C15 C16 H16 119.9 . .
C17 C16 H16 119.9 . .
C16 C17 C18 121.2(4) . .
C16 C17 H17 119.4 . .
C18 C17 H17 119.4 . .
C13 C18 C17 116.8(4) . .
C13 C18 C22 120.1(4) . .
C17 C18 C22 123.0(4) . .
C14 C19 C21 109.9(4) . .
C14 C19 C20 113.8(4) . .
C21 C19 C20 110.7(5) . .
C14 C19 H19 107.4 . .
C21 C19 H19 107.4 . .
C20 C19 H19 107.4 . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C19 C21 H21A 109.5 . .
C19 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C19 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C18 C22 C23 111.4(4) . .
C18 C22 C24 112.8(4) . .
C23 C22 C24 111.1(5) . .
C18 C22 H22 107.1 . .
C23 C22 H22 107.1 . .
C24 C22 H22 107.1 . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C22 C24 H24A 109.5 . .
C22 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C22 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C30 C25 C26 123.8(4) . .
C30 C25 O9 117.4(4) . .
C26 C25 O9 118.7(4) . .
C27 C26 C25 116.0(5) . .
C27 C26 C31 122.0(4) . .
C25 C26 C31 121.8(4) . .
C28 C27 C26 121.9(5) . .
C28 C27 H27 119.1 . .
C26 C27 H27 119.1 . .
C29 C28 C27 119.8(5) . .
C29 C28 H28 120.1 . .
C27 C28 H28 120.1 . .
C28 C29 C30 121.4(5) . .
C28 C29 H29 119.3 . .
C30 C29 H29 119.3 . .
C29 C30 C25 116.9(4) . .
C29 C30 C34 121.6(4) . .
C25 C30 C34 121.3(4) . .
C33 C31 C26 109.4(5) . .
C33 C31 C32 110.4(5) . .
C26 C31 C32 112.7(5) . .
C33 C31 H31 108.1 . .
C26 C31 H31 108.1 . .
C32 C31 H31 108.1 . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C31 C33 H33A 109.5 . .
C31 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
C31 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
C30 C34 C35 114.1(4) . .
C30 C34 C36 108.8(4) . .
C35 C34 C36 111.1(5) . .
C30 C34 H34 107.5 . .
C35 C34 H34 107.5 . .
C36 C34 H34 107.5 . .
C34 C35 H35A 109.5 . .
C34 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C34 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C34 C36 H36A 109.5 . .
C34 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C34 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C38 C37 C42 123.6(4) . .
C38 C37 O13 119.0(4) . .
C42 C37 O13 117.3(4) . .
C37 C38 C39 117.0(5) . .
C37 C38 C43 122.4(4) . .
C39 C38 C43 120.5(5) . .
C40 C39 C38 121.5(6) . .
C40 C39 H39A 119.3 . .
C38 C39 H39A 119.3 . .
C39 C40 C41 120.9(5) . .
C39 C40 H40 119.6 . .
C41 C40 H40 119.6 . .
C40 C41 C42 120.3(5) . .
C40 C41 H41A 119.8 . .
C42 C41 H41A 119.8 . .
C37 C42 C41 116.8(5) . .
C37 C42 C46 121.7(4) . .
C41 C42 C46 121.5(5) . .
C44 C43 C38 114.7(6) . .
C44 C43 C45 111.1(5) . .
C38 C43 C45 111.9(4) . .
C38 C43 C44A 95.7(18) . .
C45 C43 C44A 98.9(18) . .
C44 C43 H43 106.1 . .
C38 C43 H43 106.1 . .
C45 C43 H43 106.1 . .
C43 C44 H44A 109.5 . .
C43 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
C43 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
C43 C45 H45A 109.5 . .
C43 C45 H45B 109.5 . .
H45A C45 H45B 109.5 . .
C43 C45 H45C 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
C42 C46 C47 112.3(5) . .
C42 C46 C48 111.9(6) . .
C47 C46 C48 109.4(6) . .
C42 C46 H46 107.7 . .
C47 C46 H46 107.7 . .
C48 C46 H46 107.7 . .
C46 C47 H47A 109.5 . .
C46 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
C46 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
C46 C48 H48A 109.5 . .
C46 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C46 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
O17 C49 C50 118.7(4) . .
O17 C49 C54 118.3(4) . .
C50 C49 C54 122.9(4) . .
C49 C50 C51 116.7(5) . .
C49 C50 C55 121.5(4) . .
C51 C50 C55 121.8(5) . .
C52 C51 C50 121.6(5) . .
C52 C51 H51 119.2 . .
C50 C51 H51 119.2 . .
C53 C52 C51 120.6(5) . .
C53 C52 H52 119.7 . .
C51 C52 H52 119.7 . .
C52 C53 C54 121.2(5) . .
C52 C53 H53 119.4 . .
C54 C53 H53 119.4 . .
C53 C54 C49 117.0(5) . .
C53 C54 C58 122.3(5) . .
C49 C54 C58 120.7(4) . .
C50 C55 C57 111.2(4) . .
C50 C55 C56 113.4(5) . .
C57 C55 C56 108.5(4) . .
C50 C55 H55 107.9 . .
C57 C55 H55 107.9 . .
C56 C55 H55 107.9 . .
C55 C56 H56A 109.5 . .
C55 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
C55 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
C55 C57 H57A 109.5 . .
C55 C57 H57B 109.5 . .
H57A C57 H57B 109.5 . .
C55 C57 H57C 109.5 . .
H57A C57 H57C 109.5 . .
H57B C57 H57C 109.5 . .
C60B C58 C54 113.8(10) . .
C59A C58 C54 112.2(5) . .
C59A C58 C60A 111.7(6) . .
C54 C58 C60A 113.7(5) . .
C60B C58 C59B 111.7(13) . .
C54 C58 C59B 101.3(8) . .
C58 C59A H59A 109.5 . .
C58 C59A H59B 109.5 . .
H59A C59A H59B 109.5 . .
C58 C59A H59C 109.5 . .
H59A C59A H59C 109.5 . .
H59B C59A H59C 109.5 . .
C58 C60A H60A 109.5 . .
C58 C60A H60B 109.5 . .
H60A C60A H60B 109.5 . .
C58 C60A H60C 109.5 . .
H60A C60A H60C 109.5 . .
H60B C60A H60C 109.5 . .
C66 C61 O21 117.9(4) . .
C66 C61 C62 123.8(4) . .
O21 C61 C62 118.0(3) . .
C63 C62 C61 116.0(4) . .
C63 C62 C67 122.5(4) . .
C61 C62 C67 121.4(3) . .
C64 C63 C62 121.7(4) . .
C64 C63 H63 119.2 . .
C62 C63 H63 119.2 . .
C65 C64 C63 120.5(4) . .
C65 C64 H64 119.8 . .
C63 C64 H64 119.8 . .
C64 C65 C66 120.5(4) . .
C64 C65 H65 119.7 . .
C66 C65 H65 119.7 . .
C61 C66 C65 117.5(4) . .
C61 C66 C70 122.2(4) . .
C65 C66 C70 120.2(4) . .
C62 C67 C68 113.3(4) . .
C62 C67 C69 110.2(3) . .
C68 C67 C69 109.0(4) . .
C62 C67 H67 108.1 . .
C68 C67 H67 108.1 . .
C69 C67 H67 108.1 . .
C67 C68 H68A 109.5 . .
C67 C68 H68B 109.5 . .
H68A C68 H68B 109.5 . .
C67 C68 H68C 109.5 . .
H68A C68 H68C 109.5 . .
H68B C68 H68C 109.5 . .
C67 C69 H69A 109.5 . .
C67 C69 H69B 109.5 . .
H69A C69 H69B 109.5 . .
C67 C69 H69C 109.5 . .
H69A C69 H69C 109.5 . .
H69B C69 H69C 109.5 . .
C66 C70 C71 110.4(4) . .
C66 C70 C72 112.8(4) . .
C71 C70 C72 110.3(4) . .
C66 C70 H70 107.7 . .
C71 C70 H70 107.7 . .
C72 C70 H70 107.7 . .
C70 C71 H71A 109.5 . .
C70 C71 H71B 109.5 . .
H71A C71 H71B 109.5 . .
C70 C71 H71C 109.5 . .
H71A C71 H71C 109.5 . .
H71B C71 H71C 109.5 . .
C70 C72 H72A 109.5 . .
C70 C72 H72B 109.5 . .
H72A C72 H72B 109.5 . .
C70 C72 H72C 109.5 . .
H72A C72 H72C 109.5 . .
H72B C72 H72C 109.5 . .
O35 C73 H73A 109.5 . .
O35 C73 H73B 109.5 . .
H73A C73 H73B 109.5 . .
O35 C73 H73C 109.5 . .
H73A C73 H73C 109.5 . .
H73B C73 H73C 109.5 . .
O36 C74 H74A 109.5 . .
O36 C74 H74B 109.5 . .
H74A C74 H74B 109.5 . .
O36 C74 H74C 109.5 . .
H74A C74 H74C 109.5 . .
H74B C74 H74C 109.5 . .
O37 C75 H75A 109.5 . .
O37 C75 H75B 109.5 . .
H75A C75 H75B 109.5 . .
O37 C75 H75C 109.5 . .
H75A C75 H75C 109.5 . .
H75B C75 H75C 109.5 . .
O41 C76 H76A 109.5 . .
O41 C76 H76B 109.5 . .
H76A C76 H76B 109.5 . .
O41 C76 H76C 109.5 . .
H76A C76 H76C 109.5 . .
H76B C76 H76C 109.5 . .
N4 C77 H77A 109.5 . .
N4 C77 H77B 109.5 . .
H77A C77 H77B 109.5 . .
N4 C77 H77C 109.5 . .
H77A C77 H77C 109.5 . .
H77B C77 H77C 109.5 . .
N4 C78 H78A 109.5 . .
N4 C78 H78B 109.5 . .
H78A C78 H78B 109.5 . .
N4 C78 H78C 109.5 . .
H78A C78 H78C 109.5 . .
H78B C78 H78C 109.5 . .
N4 C79 C79 111.3(5) . 2_666
N4 C79 H79A 109.4 . .
C79 C79 H79A 109.4 2_666 .
N4 C79 H79B 109.4 . .
C79 C79 H79B 109.4 2_666 .
H79A C79 H79B 108.0 . .
O38 C80 H80A 109.5 . .
O38 C80 H80B 109.5 . .
H80A C80 H80B 109.5 . .
O38 C80 H80C 109.5 . .
H80A C80 H80C 109.5 . .
H80B C80 H80C 109.5 . .
O42 C81 H81A 109.5 . .
O42 C81 H81B 109.5 . .
H81A C81 H81B 109.5 . .
O42 C81 H81C 109.5 . .
H81A C81 H81C 109.5 . .
H81B C81 H81C 109.5 . .
O43 C82 H82A 109.5 . .
O43 C82 H82B 109.5 . .
H82A C82 H82B 109.5 . .
O43 C82 H82C 109.5 . .
H82A C82 H82C 109.5 . .
H82B C82 H82C 109.5 . .
O44 C83 H83A 109.5 . .
O44 C83 H83B 109.5 . .
H83A C83 H83B 109.5 . .
O44 C83 H83C 109.5 . .
H83A C83 H83C 109.5 . .
H83B C83 H83C 109.5 . .
O39 C128 H12D 109.5 . .
O39 C128 H12E 109.5 . .
H12D C128 H12E 109.5 . .
O39 C128 H12F 109.5 . .
H12D C128 H12F 109.5 . .
H12E C128 H12F 109.5 . .
C58 C60B H60D 109.5 . .
C58 C60B H60E 109.5 . .
H60D C60B H60E 109.5 . .
C58 C60B H60F 109.5 . .
H60D C60B H60F 109.5 . .
H60E C60B H60F 109.5 . .
C58 C59B H59D 109.5 . .
C58 C59B H59E 109.5 . .
H59D C59B H59E 109.5 . .
C58 C59B H59F 109.5 . .
H59D C59B H59F 109.5 . .
H59E C59B H59F 109.5 . .
C43 C44A H44D 109.5 . .
C43 C44A H44E 109.5 . .
H44D C44A H44E 109.5 . .
C43 C44A H44F 109.5 . .
H44D C44A H44F 109.5 . .
H44E C44A H44F 109.5 . .
C84 O46B H46B 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy2 O19 2.229(3) .
Dy2 O22 2.239(3) .
Dy2 O4 2.303(3) .
Dy2 O35 2.331(3) .
Dy2 O25 2.340(3) .
Dy2 O8 2.372(3) .
Dy2 O7 2.518(3) .
Dy2 P2 3.0259(11) .
Dy2 Dy1 3.8204(5) .
Dy2 Dy3 3.8521(4) .
Dy3 O15 2.214(3) .
Dy3 O23 2.270(3) .
Dy3 O11 2.325(3) .
Dy3 O3 2.336(3) .
Dy3 O25 2.390(3) .
Dy3 O36 2.450(3) .
Dy3 O37 2.467(3) .
Dy3 O4 2.549(3) .
Dy3 P1 3.0370(10) .
Dy3 Dy1 3.8999(5) .
Dy1 O14 2.239(3) .
Dy1 O20 2.242(3) .
Dy1 O7 2.322(3) .
Dy1 O25 2.365(3) .
Dy1 O12 2.452(3) .
Dy1 O27 2.490(3) .
Dy1 O26 2.495(3) .
Dy1 O11 2.534(3) .
Dy1 N1 2.896(4) .
Dy1 P3 3.0822(10) .
Dy4 O6 2.210(3) .
Dy4 O2 2.211(3) .
Dy4 O10 2.251(3) .
Dy4 O40 2.319(3) .
Dy4 O52 2.326(3) .
Dy4 O30 2.462(3) .
Dy4 O29 2.472(3) .
Dy4 N2 2.886(4) .
Dy5 O16 2.180(3) .
Dy5 O24 2.203(3) .
Dy5 O18 2.212(3) .
Dy5 O41 2.352(3) .
Dy5 O39 2.406(3) .
Dy5 O33 2.437(3) .
Dy5 O32 2.466(3) .
Dy5 N3 2.866(4) .
P1 O2 1.496(3) .
P1 O3 1.516(3) .
P1 O4 1.527(3) .
P1 O1 1.593(3) .
P2 O6 1.497(3) .
P2 O8 1.518(3) .
P2 O7 1.531(3) .
P2 O5 1.598(3) .
P3 O10 1.500(3) .
P3 O11 1.522(3) .
P3 O12 1.528(3) .
P3 O9 1.612(3) .
P4 O14 1.508(3) .
P4 O15 1.513(3) .
P4 O16 1.514(3) .
P4 O13 1.609(3) .
P5 O20 1.509(3) .
P5 O19 1.510(3) .
P5 O18 1.512(3) .
P5 O17 1.616(3) .
P6 O23 1.508(3) .
P6 O22 1.513(3) .
P6 O24 1.515(3) .
P6 O21 1.607(3) .
O1 C1 1.404(5) .
O5 C13 1.409(4) .
O9 C25 1.414(5) .
O13 C37 1.396(5) .
O17 C49 1.384(5) .
O21 C61 1.400(4) .
O25 H25 0.76(5) .
O26 N1 1.270(5) .
O27 N1 1.279(5) .
O28 N1 1.223(5) .
O29 N2 1.266(5) .
O30 N2 1.277(5) .
O31 N2 1.219(5) .
O32 N3 1.259(5) .
O33 N3 1.260(5) .
O34 N3 1.223(5) .
O35 C73 1.426(5) .
O35 H35 0.871(9) .
O36 C74 1.442(6) .
O36 H36 0.888(10) .
O37 C75 1.402(6) .
O37 H37 0.877(9) .
O38 C80 1.411(7) .
O38 H38 0.8400 .
O39 C128 1.433(5) .
O39 H39 0.873(9) .
O40 H40A 0.8771 .
O40 H40B 0.8757 .
O41 C76 1.427(5) .
O41 H41 0.873(9) .
O42 C81 1.444(11) .
O42 H42 0.8400 .
O43 C82 1.441(9) .
O43 H43B 0.8400 .
O44 C83 1.344(8) .
O44 H44 0.8400 .
O45 H45D 0.8696 .
O45 H45E 0.8700 .
O46A C84 1.334(10) .
O46A H46A 0.8400 .
O52 H52A 0.8778 .
O52 H52B 0.8782 .
N4 C77 1.490(6) .
N4 C78 1.492(6) .
N4 C79 1.493(6) .
N4 H4A 0.97(6) .
C1 C6 1.392(6) .
C1 C2 1.393(6) .
C2 C3 1.391(6) .
C2 C7 1.519(6) .
C3 C4 1.373(7) .
C3 H3 0.9500 .
C4 C5 1.373(7) .
C4 H4 0.9500 .
C5 C6 1.394(6) .
C5 H5 0.9500 .
C6 C10 1.520(6) .
C7 C8 1.522(7) .
C7 C9 1.530(7) .
C7 H7 1.0000 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 C12 1.523(6) .
C10 C11 1.531(6) .
C10 H10 1.0000 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C18 1.390(6) .
C13 C14 1.396(6) .
C14 C15 1.398(6) .
C14 C19 1.512(6) .
C15 C16 1.369(7) .
C15 H15 0.9500 .
C16 C17 1.374(7) .
C16 H16 0.9500 .
C17 C18 1.397(6) .
C17 H17 0.9500 .
C18 C22 1.515(6) .
C19 C21 1.521(7) .
C19 C20 1.531(7) .
C19 H19 1.0000 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 C23 1.518(8) .
C22 C24 1.528(6) .
C22 H22 1.0000 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 C30 1.398(6) .
C25 C26 1.401(6) .
C26 C27 1.397(7) .
C26 C31 1.515(7) .
C27 C28 1.386(8) .
C27 H27 0.9500 .
C28 C29 1.380(7) .
C28 H28 0.9500 .
C29 C30 1.393(6) .
C29 H29 0.9500 .
C30 C34 1.511(6) .
C31 C33 1.508(8) .
C31 C32 1.519(8) .
C31 H31 1.0000 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C34 C35 1.521(8) .
C34 C36 1.524(7) .
C34 H34 1.0000 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C37 C38 1.388(6) .
C37 C42 1.392(6) .
C38 C39 1.392(7) .
C38 C43 1.508(7) .
C39 C40 1.361(9) .
C39 H39A 0.9500 .
C40 C41 1.380(9) .
C40 H40 0.9500 .
C41 C42 1.408(7) .
C41 H41A 0.9500 .
C42 C46 1.508(7) .
C43 C44 1.504(8) .
C43 C45 1.521(7) .
C43 C44A 1.84(5) .
C43 H43 1.0000 .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
C45 H45A 0.9800 .
C45 H45B 0.9800 .
C45 H45C 0.9800 .
C46 C47 1.509(8) .
C46 C48 1.512(9) .
C46 H46 1.0000 .
C47 H47A 0.9800 .
C47 H47B 0.9800 .
C47 H47C 0.9800 .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
C49 C50 1.394(6) .
C49 C54 1.404(6) .
C50 C51 1.400(7) .
C50 C55 1.497(7) .
C51 C52 1.368(8) .
C51 H51 0.9500 .
C52 C53 1.365(8) .
C52 H52 0.9500 .
C53 C54 1.398(7) .
C53 H53 0.9500 .
C54 C58 1.522(7) .
C55 C57 1.515(8) .
C55 C56 1.548(9) .
C55 H55 1.0000 .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
C57 H57A 0.9800 .
C57 H57B 0.9800 .
C57 H57C 0.9800 .
C58 C60B 1.29(2) .
C58 C59A 1.480(9) .
C58 C60A 1.557(9) .
C58 C59B 1.74(2) .
C59A H59A 0.9800 .
C59A H59B 0.9800 .
C59A H59C 0.9800 .
C60A H60A 0.9800 .
C60A H60B 0.9800 .
C60A H60C 0.9800 .
C61 C66 1.383(6) .
C61 C62 1.406(6) .
C62 C63 1.392(6) .
C62 C67 1.520(6) .
C63 C64 1.383(6) .
C63 H63 0.9500 .
C64 C65 1.375(7) .
C64 H64 0.9500 .
C65 C66 1.400(6) .
C65 H65 0.9500 .
C66 C70 1.518(6) .
C67 C68 1.524(6) .
C67 C69 1.533(6) .
C67 H67 1.0000 .
C68 H68A 0.9800 .
C68 H68B 0.9800 .
C68 H68C 0.9800 .
C69 H69A 0.9800 .
C69 H69B 0.9800 .
C69 H69C 0.9800 .
C70 C71 1.522(7) .
C70 C72 1.526(7) .
C70 H70 1.0000 .
C71 H71A 0.9800 .
C71 H71B 0.9800 .
C71 H71C 0.9800 .
C72 H72A 0.9800 .
C72 H72B 0.9800 .
C72 H72C 0.9800 .
C73 H73A 0.9800 .
C73 H73B 0.9800 .
C73 H73C 0.9800 .
C74 H74A 0.9800 .
C74 H74B 0.9800 .
C74 H74C 0.9800 .
C75 H75A 0.9800 .
C75 H75B 0.9800 .
C75 H75C 0.9800 .
C76 H76A 0.9800 .
C76 H76B 0.9800 .
C76 H76C 0.9800 .
C77 H77A 0.9800 .
C77 H77B 0.9800 .
C77 H77C 0.9800 .
C78 H78A 0.9800 .
C78 H78B 0.9800 .
C78 H78C 0.9800 .
C79 C79 1.511(8) 2_666
C79 H79A 0.9900 .
C79 H79B 0.9900 .
C80 H80A 0.9800 .
C80 H80B 0.9800 .
C80 H80C 0.9800 .
C81 H81A 0.9800 .
C81 H81B 0.9800 .
C81 H81C 0.9800 .
C82 H82A 0.9800 .
C82 H82B 0.9800 .
C82 H82C 0.9800 .
C83 H83A 0.9800 .
C83 H83B 0.9800 .
C83 H83C 0.9800 .
C84 O46B 1.336(11) .
C128 H12D 0.9800 .
C128 H12E 0.9800 .
C128 H12F 0.9800 .
C60B H60D 0.9800 .
C60B H60E 0.9800 .
C60B H60F 0.9800 .
C59B H59D 0.9800 .
C59B H59E 0.9800 .
C59B H59F 0.9800 .
C44A H44D 0.9800 .
C44A H44E 0.9800 .
C44A H44F 0.9800 .
O46B H46B 0.8400 .
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
O38 H38 O45 0.84 1.99 2.813(6) 166.5 .
O40 H40A O46A 0.88 2.02 2.661(8) 129.3 .
O40 H40A O46B 0.88 1.84 2.675(9) 157.9 .
O40 H40B O38 0.88 1.95 2.669(5) 138.4 .
O42 H42 O43 0.84 2.00 2.791(8) 156.9 .
O43 H43B O28 0.84 2.04 2.874(6) 171.9 2_666
O45 H45D O42 0.87 1.72 2.584(8) 175.9 .
O46A H46A O3 0.84 1.89 2.712(7) 165.2 .
O52 H52A O45 0.88 2.04 2.676(5) 128.3 2_556
O52 H52B O47 0.88 1.58 2.356(12) 145.7 .
C75 H75A O36 0.98 2.61 3.230(7) 121.2 .
C77 H77A O29 0.98 2.41 3.327(6) 155.6 .
C78 H78B O27 0.98 2.48 3.229(5) 132.8 .
C78 H78C O29 0.98 2.64 3.416(6) 136.1 .
C80 H80C O31 0.98 2.60 3.562(9) 168.7 2_556
C128 H12D O33 0.98 2.42 3.056(6) 121.8 .
C128 H12E O34 0.98 2.58 3.214(7) 122.2 2_665
O46B H46B O3 0.84 1.85 2.665(8) 163.0 .
O35 H35 O44 0.871(9) 1.721(11) 2.590(5) 175(2) .
O37 H37 O9 0.877(9) 2.16(3) 2.930(4) 147(4) .
O41 H41 O33 0.873(9) 2.50(5) 3.048(4) 121(4) 2_665
O41 H41 O34 0.873(9) 1.941(10) 2.812(4) 175(2) 2_665
O41 H41 N3 0.873(9) 2.49(3) 3.275(4) 150(5) 2_665
N4 H4A O12 0.97(6) 1.73(6) 2.695(5) 175(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_4
O2 P1 O1 C1 -31.3(3) .
O3 P1 O1 C1 -153.8(3) .
O4 P1 O1 C1 93.7(3) .
Dy3 P1 O1 C1 156.4(2) .
O3 P1 O2 Dy4 -52.0(4) .
O4 P1 O2 Dy4 69.5(4) .
O1 P1 O2 Dy4 -167.7(3) .
Dy3 P1 O2 Dy4 3.8(4) .
O2 P1 O3 Dy3 121.35(15) .
O4 P1 O3 Dy3 -4.49(17) .
O1 P1 O3 Dy3 -120.23(13) .
O2 P1 O4 Dy2 30.1(5) .
O3 P1 O4 Dy2 156.6(4) .
O1 P1 O4 Dy2 -92.0(5) .
Dy3 P1 O4 Dy2 152.5(5) .
O2 P1 O4 Dy3 -122.45(13) .
O3 P1 O4 Dy3 4.03(15) .
O1 P1 O4 Dy3 115.44(13) .
O6 P2 O5 C13 113.5(3) .
O8 P2 O5 C13 -11.2(3) .
O7 P2 O5 C13 -126.4(3) .
Dy2 P2 O5 C13 -65.8(3) .
O8 P2 O6 Dy4 -49.0(4) .
O7 P2 O6 Dy4 73.8(4) .
O5 P2 O6 Dy4 -169.4(4) .
Dy2 P2 O6 Dy4 9.9(5) .
O6 P2 O7 Dy1 27.2(5) .
O8 P2 O7 Dy1 155.2(4) .
O5 P2 O7 Dy1 -87.5(5) .
Dy2 P2 O7 Dy1 148.3(5) .
O6 P2 O7 Dy2 -121.08(14) .
O8 P2 O7 Dy2 6.94(15) .
O5 P2 O7 Dy2 124.25(12) .
O6 P2 O8 Dy2 118.63(15) .
O7 P2 O8 Dy2 -7.46(16) .
O5 P2 O8 Dy2 -123.71(13) .
O10 P3 O9 C25 83.6(3) .
O11 P3 O9 C25 -153.7(3) .
O12 P3 O9 C25 -40.3(3) .
Dy1 P3 O9 C25 -96.8(3) .
O11 P3 O10 Dy4 18.4(4) .
O12 P3 O10 Dy4 -105.1(3) .
O9 P3 O10 Dy4 133.6(3) .
Dy1 P3 O10 Dy4 -45.9(4) .
O10 P3 O11 Dy3 79.3(4) .
O12 P3 O11 Dy3 -153.4(4) .
O9 P3 O11 Dy3 -37.8(4) .
Dy1 P3 O11 Dy3 -159.6(5) .
O10 P3 O11 Dy1 -121.15(14) .
O12 P3 O11 Dy1 6.17(15) .
O9 P3 O11 Dy1 121.73(13) .
O10 P3 O12 Dy1 121.81(14) .
O11 P3 O12 Dy1 -6.42(16) .
O9 P3 O12 Dy1 -118.17(13) .
O14 P4 O13 C37 143.4(3) .
O15 P4 O13 C37 -97.6(3) .
O16 P4 O13 C37 22.9(4) .
O15 P4 O14 Dy1 54.5(3) .
O16 P4 O14 Dy1 -73.1(3) .
O13 P4 O14 Dy1 170.13(19) .
O14 P4 O15 Dy3 -42.4(3) .
O16 P4 O15 Dy3 85.7(3) .
O13 P4 O15 Dy3 -156.7(2) .
O14 P4 O16 Dy5 89.4(5) .
O15 P4 O16 Dy5 -38.2(6) .
O13 P4 O16 Dy5 -155.5(5) .
O20 P5 O17 C49 -105.2(3) .
O19 P5 O17 C49 135.3(3) .
O18 P5 O17 C49 15.2(4) .
O20 P5 O18 Dy5 -52.4(6) .
O19 P5 O18 Dy5 76.6(6) .
O17 P5 O18 Dy5 -169.2(5) .
O20 P5 O19 Dy2 53.0(3) .
O18 P5 O19 Dy2 -76.0(2) .
O17 P5 O19 Dy2 169.05(19) .
O19 P5 O20 Dy1 -47.2(3) .
O18 P5 O20 Dy1 82.3(2) .
O17 P5 O20 Dy1 -161.7(2) .
O23 P6 O21 C61 124.8(3) .
O22 P6 O21 C61 -116.6(3) .
O24 P6 O21 C61 4.6(4) .
O23 P6 O22 Dy2 -42.8(2) .
O24 P6 O22 Dy2 85.5(2) .
O21 P6 O22 Dy2 -156.20(18) .
O22 P6 O23 Dy3 44.5(3) .
O24 P6 O23 Dy3 -84.0(3) .
O21 P6 O23 Dy3 158.8(2) .
O23 P6 O24 Dy5 50.1(4) .
O22 P6 O24 Dy5 -77.9(4) .
O21 P6 O24 Dy5 165.1(4) .
Dy1 O26 N1 O28 166.3(4) .
Dy1 O26 N1 O27 -13.7(3) .
Dy1 O27 N1 O28 -166.3(3) .
Dy1 O27 N1 O26 13.8(3) .
Dy4 O29 N2 O31 176.4(4) .
Dy4 O29 N2 O30 -3.0(4) .
Dy4 O30 N2 O31 -176.4(4) .
Dy4 O30 N2 O29 3.0(4) .
Dy5 O32 N3 O34 177.6(3) .
Dy5 O32 N3 O33 -0.5(4) .
Dy5 O33 N3 O34 -177.7(3) .
Dy5 O33 N3 O32 0.5(4) .
P1 O1 C1 C6 -98.9(4) .
P1 O1 C1 C2 85.9(4) .
C6 C1 C2 C3 4.4(7) .
O1 C1 C2 C3 179.3(4) .
C6 C1 C2 C7 -170.9(4) .
O1 C1 C2 C7 4.0(6) .
C1 C2 C3 C4 -0.5(7) .
C7 C2 C3 C4 174.7(5) .
C2 C3 C4 C5 -2.4(8) .
C3 C4 C5 C6 1.7(8) .
C2 C1 C6 C5 -5.0(6) .
O1 C1 C6 C5 -180.0(4) .
C2 C1 C6 C10 171.9(4) .
O1 C1 C6 C10 -3.0(6) .
C4 C5 C6 C1 1.9(7) .
C4 C5 C6 C10 -175.0(4) .
C3 C2 C7 C8 -99.6(5) .
C1 C2 C7 C8 75.4(5) .
C3 C2 C7 C9 25.0(7) .
C1 C2 C7 C9 -160.0(4) .
C1 C6 C10 C12 167.0(4) .
C5 C6 C10 C12 -16.3(6) .
C1 C6 C10 C11 -68.9(5) .
C5 C6 C10 C11 107.8(5) .
P2 O5 C13 C18 99.4(4) .
P2 O5 C13 C14 -84.2(4) .
C18 C13 C14 C15 0.3(7) .
O5 C13 C14 C15 -175.9(4) .
C18 C13 C14 C19 177.1(4) .
O5 C13 C14 C19 1.0(6) .
C13 C14 C15 C16 -0.7(7) .
C19 C14 C15 C16 -177.5(5) .
C14 C15 C16 C17 0.5(8) .
C15 C16 C17 C18 0.0(8) .
C14 C13 C18 C17 0.3(7) .
O5 C13 C18 C17 176.4(4) .
C14 C13 C18 C22 179.5(4) .
O5 C13 C18 C22 -4.3(6) .
C16 C17 C18 C13 -0.4(7) .
C16 C17 C18 C22 -179.6(5) .
C13 C14 C19 C21 -76.7(5) .
C15 C14 C19 C21 100.0(5) .
C13 C14 C19 C20 158.5(5) .
C15 C14 C19 C20 -24.8(7) .
C13 C18 C22 C23 77.2(5) .
C17 C18 C22 C23 -103.6(5) .
C13 C18 C22 C24 -157.1(4) .
C17 C18 C22 C24 22.1(7) .
P3 O9 C25 C30 93.5(4) .
P3 O9 C25 C26 -89.5(4) .
C30 C25 C26 C27 -5.0(7) .
O9 C25 C26 C27 178.2(4) .
C30 C25 C26 C31 169.8(4) .
O9 C25 C26 C31 -6.9(6) .
C25 C26 C27 C28 2.2(7) .
C31 C26 C27 C28 -172.7(5) .
C26 C27 C28 C29 1.9(8) .
C27 C28 C29 C30 -3.5(8) .
C28 C29 C30 C25 0.8(7) .
C28 C29 C30 C34 174.4(5) .
C26 C25 C30 C29 3.6(7) .
O9 C25 C30 C29 -179.6(4) .
C26 C25 C30 C34 -170.0(4) .
O9 C25 C30 C34 6.8(6) .
C27 C26 C31 C33 79.1(6) .
C25 C26 C31 C33 -95.4(5) .
C27 C26 C31 C32 -44.1(7) .
C25 C26 C31 C32 141.3(5) .
C29 C30 C34 C35 46.6(6) .
C25 C30 C34 C35 -140.1(5) .
C29 C30 C34 C36 -78.0(6) .
C25 C30 C34 C36 95.3(5) .
P4 O13 C37 C38 86.7(4) .
P4 O13 C37 C42 -98.3(4) .
C42 C37 C38 C39 0.5(7) .
O13 C37 C38 C39 175.2(4) .
C42 C37 C38 C43 -176.5(4) .
O13 C37 C38 C43 -1.8(6) .
C37 C38 C39 C40 1.1(8) .
C43 C38 C39 C40 178.1(5) .
C38 C39 C40 C41 -1.9(9) .
C39 C40 C41 C42 1.1(9) .
C38 C37 C42 C41 -1.2(7) .
O13 C37 C42 C41 -176.0(4) .
C38 C37 C42 C46 176.7(4) .
O13 C37 C42 C46 1.9(6) .
C40 C41 C42 C37 0.4(7) .
C40 C41 C42 C46 -177.4(5) .
C37 C38 C43 C44 -119.7(6) .
C39 C38 C43 C44 63.5(7) .
C37 C38 C43 C45 112.5(5) .
C39 C38 C43 C45 -64.3(7) .
C37 C38 C43 C44A -145.6(18) .
C39 C38 C43 C44A 37.6(18) .
C37 C42 C46 C47 -101.3(6) .
C41 C42 C46 C47 76.4(7) .
C37 C42 C46 C48 135.2(6) .
C41 C42 C46 C48 -47.0(7) .
P5 O17 C49 C50 -91.8(4) .
P5 O17 C49 C54 91.7(4) .
O17 C49 C50 C51 -177.8(4) .
C54 C49 C50 C51 -1.5(6) .
O17 C49 C50 C55 0.6(6) .
C54 C49 C50 C55 176.8(4) .
C49 C50 C51 C52 1.2(7) .
C55 C50 C51 C52 -177.2(5) .
C50 C51 C52 C53 0.4(8) .
C51 C52 C53 C54 -1.7(8) .
C52 C53 C54 C49 1.4(7) .
C52 C53 C54 C58 -177.4(5) .
O17 C49 C54 C53 176.6(4) .
C50 C49 C54 C53 0.3(6) .
O17 C49 C54 C58 -4.6(6) .
C50 C49 C54 C58 179.1(4) .
C49 C50 C55 C57 -82.1(5) .
C51 C50 C55 C57 96.2(6) .
C49 C50 C55 C56 155.4(5) .
C51 C50 C55 C56 -26.4(7) .
C53 C54 C58 C60B -98.5(12) .
C49 C54 C58 C60B 82.8(12) .
C53 C54 C58 C59A 74.1(6) .
C49 C54 C58 C59A -104.6(6) .
C53 C54 C58 C60A -54.0(7) .
C49 C54 C58 C60A 127.3(6) .
C53 C54 C58 C59B 21.6(9) .
C49 C54 C58 C59B -157.1(8) .
P6 O21 C61 C66 101.9(4) .
P6 O21 C61 C62 -84.0(4) .
C66 C61 C62 C63 -2.8(6) .
O21 C61 C62 C63 -176.5(3) .
C66 C61 C62 C67 175.1(4) .
O21 C61 C62 C67 1.4(5) .
C61 C62 C63 C64 1.9(6) .
C67 C62 C63 C64 -176.0(4) .
C62 C63 C64 C65 -0.5(7) .
C63 C64 C65 C66 -0.3(7) .
O21 C61 C66 C65 175.8(3) .
C62 C61 C66 C65 2.1(6) .
O21 C61 C66 C70 -1.0(6) .
C62 C61 C66 C70 -174.7(4) .
C64 C65 C66 C61 -0.5(6) .
C64 C65 C66 C70 176.4(4) .
C63 C62 C67 C68 -12.3(6) .
C61 C62 C67 C68 169.9(4) .
C63 C62 C67 C69 110.0(4) .
C61 C62 C67 C69 -67.7(5) .
C61 C66 C70 C71 107.8(5) .
C65 C66 C70 C71 -68.8(5) .
C61 C66 C70 C72 -128.2(5) .
C65 C66 C70 C72 55.1(6) .
C77 N4 C79 C79 -61.8(6) 2_666
C78 N4 C79 C79 173.5(4) 2_666
