# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_MK-B-74-Tb
_database_code_depnum_ccdc_archive 'CCDC 2491820'
loop_
_audit_author_name
_audit_author_address
'Marcus Korb'
;The University of Western Australia
Australia
;
_audit_update_record             
;
2025-09-27 deposited with the CCDC.	2026-02-27 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         
'C126.40 H172.80 O24 P4 Tb4, 4.8(C2 H6 O) [+ solvent]'
_chemical_formula_sum            'C136 H201.60 O28.80 P4 Tb4'
_chemical_formula_weight         3056.92

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -9.1472 9.1891 '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/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   15.39750(10)
_cell_length_b                   35.3854(3)
_cell_length_c                   28.9254(2)
_cell_angle_alpha                90
_cell_angle_beta                 98.7870(10)
_cell_angle_gamma                90
_cell_volume                     15574.9(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100.00(10)
_cell_measurement_reflns_used    74728
_cell_measurement_theta_min      2.8870
_cell_measurement_theta_max      75.1840

_exptl_crystal_description       plate
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_size_max          0.214
_exptl_crystal_size_mid          0.111
_exptl_crystal_size_min          0.028
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1 -1 19 0.0917
8 -1 8 0.0645
-8 1 -8 0.0380
0 1 -19 0.0731
9 -1 -9 0.0949
-7 0 15 0.1131
-2 -22 -3 0.0131
2 22 3 0.0150
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-1.2846 -0.6608 18.7681 0.4617 0.3528 0.8139
8.2778 -1.1350 7.9710 0.7841 0.6011 -0.1546
-8.2938 1.1345 -7.9220 -0.7837 -0.6008 0.1575
0.0880 0.7686 -18.5737 -0.5357 -0.4097 -0.7384
9.3515 -0.5194 -9.2276 0.3541 0.2725 -0.8946
-7.3212 0.0920 14.7435 -0.0580 -0.0457 0.9973
-1.9492 -22.1974 -2.5320 0.4300 -0.9028 0.0090
1.9492 22.1974 2.5320 -0.4300 0.9028 -0.0090

_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.304
_exptl_crystal_F_000             6272
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_absorpt_coefficient_mu    9.642
_shelx_estimated_absorpt_T_min   0.237
_shelx_estimated_absorpt_T_max   0.761
_exptl_absorpt_correction_T_min  0.661
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.129a (Rigaku Oxford Diffraction, 2024)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_oxdiff_exptl_absorpt_empirical_full_min 0.623
_oxdiff_exptl_absorpt_empirical_full_max 2.572
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_diffrn_ambient_temperature      100.00(10)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_measurement_device_type  
'XtaLAB Synergy, Single source at home/near, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_reflns_number            223575
_diffrn_reflns_av_unetI/netI     0.0413
_diffrn_reflns_av_R_equivalents  0.0897
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -42
_diffrn_reflns_limit_k_max       42
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         2.904
_diffrn_reflns_theta_max         66.499
_diffrn_reflns_theta_full        66.499
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             27407
_reflns_number_gt                23479
_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.
 
 Structure factors included contributions from the .fab file.
 
 _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       
'CrysAlisPro system (CCD 43.129a 64-bit (release 29-06-2024))'
_computing_cell_refinement       'CrysAlisPro 1.171.43.129a (Rigaku OD, 2024)'
_computing_data_reduction        'CrysAlisPro 1.171.43.129a (Rigaku OD, 2024)'
_computing_structure_solution    'SHELXS-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.0636P)²+90.3870P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         27407
_refine_ls_number_parameters     1607
_refine_ls_number_restraints     1782
_refine_ls_R_factor_all          0.0663
_refine_ls_R_factor_gt           0.0572
_refine_ls_wR_factor_ref         0.1519
_refine_ls_wR_factor_gt          0.1476
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_restrained_S_all      1.011
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000


# start Validation Reply Form
_vrf_PLAT213_MK-B-74-Tb          
;
PROBLEM: Atom C364            has ADP max/min Ratio .....        4.3 prolat
RESPONSE: this is caused by the high degree of disorder in coordinated
solvents and potential additional sets of sites.
;
_vrf_PLAT220_MK-B-74-Tb          
;
PROBLEM: NonSolvent   Resd 1  C   Ueq(max)/Ueq(min) Range        9.5 Ratio 
RESPONSE: see above. RIGU is already applied.
;
_vrf_PLAT241_MK-B-74-Tb          
;
PROBLEM: High   'MainMol' Ueq as Compared to Neighbors of        C1U Check 
RESPONSE: see above
;
_vrf_PLAT242_MK-B-74-Tb          
;
PROBLEM: Low    'MainMol' Ueq as Compared to Neighbors of       C276 Check 
RESPONSE: see above
;
_vrf_PLAT412_MK-B-74-Tb          
;
PROBLEM: Short Intra XH3 .. XHn     H2U1     ..H37P     .       1.73 Ang.  
RESPONSE: see above. Those are caused by unrefined H atoms from OH groups.
;
_vrf_PLAT417_MK-B-74-Tb          
;
PROBLEM: Short Inter D-H..H-D       H2       ..H9U      .       1.98 Ang.  
RESPONSE: see above.
;
_vrf_PLAT420_MK-B-74-Tb          
;
PROBLEM: D-H Bond Without Acceptor  O9U      --H9U      .     Please Check 
RESPONSE: see above.
;
_vrf_PLAT971_MK-B-74-Tb          
;
PROBLEM: Check Calcd Resid. Dens.  1.03Ang From Tb2             3.05 eA-3  
RESPONSE: The value is below the allowed residue of Z*0.1*0.75 and close
to the 1Ang cut-off.
;
# end Validation Reply Form

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
C200 C 0.0794(4) 0.07532(18) 0.3742(2) 0.0321(12) Uani 1 1 d . . . . .
C201 C 0.0287(4) 0.10499(19) 0.3883(2) 0.0358(13) Uani 1 1 d . . . . .
H201 H 0.046847 0.130319 0.384625 0.043 Uiso 1 1 calc R U . . .
C202 C -0.0467(4) 0.0984(2) 0.4074(2) 0.0404(14) Uani 1 1 d . . . . .
C203 C -0.0664(5) 0.0607(2) 0.4150(2) 0.0449(15) Uani 1 1 d . . . . .
H203 H -0.115337 0.055305 0.430317 0.054 Uiso 1 1 calc R U . . .
C204 C -0.0183(4) 0.0307(2) 0.4013(2) 0.0410(14) Uani 1 1 d . . . . .
H204 H -0.034609 0.005491 0.407109 0.049 Uiso 1 1 calc R U . . .
C205 C 0.0542(4) 0.03767(18) 0.3789(2) 0.0330(12) Uani 1 1 d . . . . .
C210 C 0.3429(4) 0.06228(19) 0.0667(2) 0.0381(13) Uani 1 1 d . . . . .
C211 C 0.2690(4) 0.07883(18) 0.0803(2) 0.0358(13) Uani 1 1 d . . . . .
C212 C 0.2086(5) 0.0977(2) 0.0461(2) 0.0407(14) Uani 1 1 d . . . . .
H212 H 0.157635 0.108687 0.055304 0.049 Uiso 1 1 calc R U . . .
C213 C 0.2206(5) 0.1009(2) 0.0001(2) 0.0445(15) Uani 1 1 d . . . . .
C214 C 0.2965(5) 0.0843(2) -0.0123(2) 0.0524(18) Uani 1 1 d . . . . .
H214 H 0.307331 0.086102 -0.043729 0.063 Uiso 1 1 calc R U . . .
C215 C 0.3557(5) 0.0655(2) 0.0203(2) 0.0499(17) Uani 1 1 d . . . . .
H215 H 0.406402 0.054468 0.010801 0.060 Uiso 1 1 calc R U . . .
C220 C 0.4556(4) -0.12953(18) 0.1981(2) 0.0357(13) Uani 1 1 d . . . . .
C221 C 0.5453(4) -0.13599(19) 0.1975(2) 0.0394(14) Uani 1 1 d . . . . .
H221 H 0.580877 -0.115310 0.191011 0.047 Uiso 1 1 calc R U . . .
C222 C 0.5843(5) -0.1711(2) 0.2058(3) 0.0465(16) Uani 1 1 d . . . . .
C223 C 0.5302(5) -0.2006(2) 0.2150(3) 0.0552(19) Uani 1 1 d . . . . .
H223 H 0.554769 -0.225142 0.220705 0.066 Uiso 1 1 calc R U . . .
C224 C 0.4420(5) -0.1954(2) 0.2162(3) 0.0509(17) Uani 1 1 d . . . . .
H224 H 0.406791 -0.216197 0.222649 0.061 Uiso 1 1 calc R U . . .
C225 C 0.4041(4) -0.15995(19) 0.2080(2) 0.0397(14) Uani 1 1 d . . . . .
C230 C 0.0269(4) -0.08664(18) 0.2595(2) 0.0350(12) Uani 1 1 d . . . . .
C231 C -0.0302(4) -0.09975(19) 0.2194(2) 0.0413(14) Uani 1 1 d . . . . .
H231 H -0.071710 -0.082873 0.202766 0.050 Uiso 1 1 calc R U . . .
C232 C -0.0262(4) -0.1362(2) 0.2044(2) 0.0425(14) Uani 1 1 d . . . . .
H232 H -0.066475 -0.144080 0.177885 0.051 Uiso 1 1 calc R U . . .
C233 C 0.0339(4) -0.16241(19) 0.2260(2) 0.0414(14) Uani 1 1 d . . . . .
C234 C 0.0904(4) -0.14974(19) 0.2647(3) 0.0418(14) Uani 1 1 d . . . . .
H234 H 0.132743 -0.166777 0.280328 0.050 Uiso 1 1 calc R U . . .
C235 C 0.0877(4) -0.11303(18) 0.2818(2) 0.0342(12) Uani 1 1 d . . . . .
C240 C 0.1951(4) 0.13448(18) 0.3520(2) 0.0349(13) Uani 1 1 d . . . . .
C241 C 0.1586(4) 0.15810(18) 0.3145(2) 0.0353(13) Uani 1 1 d . . . . .
C242 C 0.1620(5) 0.19661(19) 0.3205(2) 0.0431(15) Uani 1 1 d . . . . .
H242 H 0.137971 0.212621 0.295384 0.052 Uiso 1 1 calc R U . . .
C243 C 0.1997(5) 0.2124(2) 0.3624(3) 0.0498(16) Uani 1 1 d . . . . .
H243 H 0.199385 0.239079 0.365889 0.060 Uiso 1 1 calc R U . . .
C244 C 0.2382(6) 0.1902(2) 0.3997(3) 0.0519(17) Uani 1 1 d . . . . .
C245 C 0.2347(5) 0.15167(19) 0.3935(2) 0.0402(14) Uani 1 1 d . . . . .
H245 H 0.260431 0.135986 0.418578 0.048 Uiso 1 1 calc R U . . .
C250 C 0.3935(4) -0.08134(17) 0.1189(2) 0.0307(12) Uani 1 1 d . . . . .
C251 C 0.4148(4) -0.11131(19) 0.0909(2) 0.0383(14) Uani 1 1 d . . . . .
H251 H 0.437126 -0.134047 0.105686 0.046 Uiso 1 1 calc R U . . .
C252 C 0.4045(4) -0.1089(2) 0.0423(2) 0.0430(14) Uani 1 1 d . . . . .
C253 C 0.3758(5) -0.0745(2) 0.0224(2) 0.0488(16) Uani 1 1 d . . . . .
H253 H 0.371531 -0.071471 -0.010494 0.059 Uiso 1 1 calc R U . . .
C254 C 0.3534(4) -0.0446(2) 0.0491(2) 0.0436(15) Uani 1 1 d . . . . .
H254 H 0.333031 -0.021727 0.033890 0.052 Uiso 1 1 calc R U . . .
C255 C 0.3599(4) -0.04711(18) 0.0977(2) 0.0342(12) Uani 1 1 d . . . . .
C260 C 0.2334(4) -0.13515(17) 0.3506(2) 0.0327(12) Uani 1 1 d . . . . .
C261 C 0.2956(4) -0.14026(17) 0.3208(2) 0.0328(12) Uani 1 1 d . . . . .
C262 C 0.3514(4) -0.17135(19) 0.3290(2) 0.0405(14) Uani 1 1 d . . . . .
H262 H 0.393148 -0.175955 0.308670 0.049 Uiso 1 1 calc R U . . .
C263 C 0.3474(4) -0.19528(19) 0.3655(3) 0.0437(15) Uani 1 1 d . . . . .
H263 H 0.386348 -0.216231 0.369868 0.052 Uiso 1 1 calc R U . . .
C264 C 0.2874(4) -0.18989(19) 0.3968(2) 0.0398(14) Uani 1 1 d . . . . .
C265 C 0.2300(4) -0.15968(18) 0.3885(2) 0.0381(14) Uani 1 1 d . . . . .
H265 H 0.187834 -0.155456 0.408748 0.046 Uiso 1 1 calc R U . . .
C270 C 0.0791(4) -0.09919(18) 0.3779(2) 0.0368(13) Uani 1 1 d . . . . .
C271 C 0.0798(4) -0.0737(2) 0.4145(2) 0.0401(14) Uani 1 1 d . . . . .
C272 C 0.0193(5) -0.0783(2) 0.4454(3) 0.0524(17) Uani 1 1 d . . . . .
H272 H 0.018038 -0.060764 0.470135 0.063 Uiso 1 1 calc R U . . .
C273 C -0.0388(5) -0.1085(2) 0.4403(3) 0.0553(18) Uani 1 1 d . . . . .
H273 H -0.078936 -0.111210 0.461996 0.066 Uiso 1 1 calc R U . . .
C274 C -0.0406(5) -0.1349(2) 0.4045(3) 0.0520(16) Uani 1 1 d . . . . .
C275 C 0.0193(4) -0.1294(2) 0.3737(3) 0.0438(15) Uani 1 1 d . . . . .
H275 H 0.019786 -0.146868 0.348720 0.053 Uiso 1 1 calc R U . . .
C276 C -0.1006(5) -0.1691(3) 0.4000(3) 0.061(2) Uani 1 1 d . . . . .
C300 C 0.5256(4) -0.04515(18) 0.2475(2) 0.0351(13) Uani 1 1 d . . . . .
C301 C 0.5028(4) -0.05124(17) 0.1991(2) 0.0306(12) Uani 1 1 d . . . . .
C302 C 0.5527(4) -0.03605(18) 0.1670(2) 0.0344(13) Uani 1 1 d . . . . .
H302 H 0.535386 -0.040659 0.134556 0.041 Uiso 1 1 calc R U . . .
C303 C 0.6273(4) -0.0143(2) 0.1816(2) 0.0401(14) Uani 1 1 d . . . . .
C304 C 0.6497(4) -0.0084(2) 0.2297(2) 0.0457(16) Uani 1 1 d . . . . .
H304 H 0.700412 0.006183 0.240741 0.055 Uiso 1 1 calc R U . . .
C305 C 0.6004(4) -0.0230(2) 0.2619(2) 0.0430(15) Uani 1 1 d . . . . .
H305 H 0.617580 -0.017900 0.294228 0.052 Uiso 1 1 calc R U . . .
C306 C 0.3513(4) 0.06326(17) 0.3797(2) 0.0329(12) Uani 1 1 d . . . . .
C307 C 0.2668(4) 0.06566(17) 0.3930(2) 0.0325(12) Uani 1 1 d . . . . .
C308 C 0.2540(4) 0.05508(17) 0.4376(2) 0.0357(13) Uani 1 1 d . . . . .
H308 H 0.196832 0.057492 0.445847 0.043 Uiso 1 1 calc R U . . .
C310 C 0.4032(4) 0.0376(2) 0.4571(2) 0.0399(14) Uani 1 1 d . . . . .
H310 H 0.450493 0.027692 0.478648 0.048 Uiso 1 1 calc R U . . .
C311 C 0.4178(4) 0.0481(2) 0.4130(2) 0.0403(14) Uani 1 1 d . . . . .
H311 H 0.474921 0.045007 0.404901 0.048 Uiso 1 1 calc R U . . .
C312 C 0.3037(5) 0.0325(2) 0.5207(2) 0.0471(16) Uani 1 1 d . . . . .
C313 C 0.3809(6) 0.0147(3) 0.5504(3) 0.066(2) Uani 1 1 d . . . . .
H31A H 0.433430 0.030070 0.549060 0.099 Uiso 1 1 calc R U . . .
H31B H 0.369839 0.013194 0.582821 0.099 Uiso 1 1 calc R U . . .
H31C H 0.390063 -0.010758 0.538757 0.099 Uiso 1 1 calc R U . . .
C314 C 0.2887(6) 0.0719(3) 0.5436(3) 0.065(2) Uani 1 1 d . . . . .
H31D H 0.238416 0.084640 0.525164 0.097 Uiso 1 1 calc R U . . .
H31E H 0.277038 0.068076 0.575608 0.097 Uiso 1 1 calc R U . . .
H31F H 0.341413 0.087549 0.544146 0.097 Uiso 1 1 calc R U . . .
C315 C 0.2204(6) 0.0105(3) 0.5210(3) 0.068(2) Uani 1 1 d . . . . .
H31G H 0.171949 0.023235 0.501140 0.102 Uiso 1 1 calc R U . . .
H31H H 0.227623 -0.015036 0.509013 0.102 Uiso 1 1 calc R U . . .
H31I H 0.207400 0.008915 0.553077 0.102 Uiso 1 1 calc R U . . .
C316 C 0.0394(5) -0.2039(2) 0.2097(3) 0.0509(17) Uani 1 1 d . . . . .
C317 C -0.0253(6) -0.2119(2) 0.1653(3) 0.063(2) Uani 1 1 d . . . . .
H31J H -0.012838 -0.195119 0.140188 0.095 Uiso 1 1 calc R U . . .
H31K H -0.019292 -0.238266 0.155893 0.095 Uiso 1 1 calc R U . . .
H31L H -0.085440 -0.207501 0.171335 0.095 Uiso 1 1 calc R U . . .
C318 C 0.1323(5) -0.2119(2) 0.1993(4) 0.071(3) Uani 1 1 d . . . . .
H31M H 0.145505 -0.194774 0.174594 0.107 Uiso 1 1 calc R U . . .
H31N H 0.174864 -0.207826 0.227652 0.107 Uiso 1 1 calc R U . . .
H31O H 0.135867 -0.238097 0.188861 0.107 Uiso 1 1 calc R U . . .
C319 C 0.0184(6) -0.2303(2) 0.2479(3) 0.065(2) Uani 1 1 d . . . . .
H31P H 0.059313 -0.225549 0.276779 0.097 Uiso 1 1 calc R U . . .
H31Q H -0.041934 -0.225796 0.253580 0.097 Uiso 1 1 calc R U . . .
H31R H 0.024215 -0.256562 0.238137 0.097 Uiso 1 1 calc R U . . .
C320 C 0.2858(5) -0.2173(2) 0.4377(3) 0.0494(16) Uani 1 1 d . . . . .
C321 C 0.3771(6) -0.2191(3) 0.4671(3) 0.070(2) Uani 1 1 d . . . . .
H32A H 0.420323 -0.226444 0.447158 0.105 Uiso 1 1 calc R U . . .
H32B H 0.392413 -0.194199 0.480797 0.105 Uiso 1 1 calc R U . . .
H32C H 0.376968 -0.237740 0.492107 0.105 Uiso 1 1 calc R U . . .
C322 C 0.2636(7) -0.2568(2) 0.4177(3) 0.076(3) Uani 1 1 d . . . . .
H32D H 0.306772 -0.264131 0.397692 0.114 Uiso 1 1 calc R U . . .
H32E H 0.265114 -0.274927 0.443359 0.114 Uiso 1 1 calc R U . . .
H32F H 0.204770 -0.256516 0.399133 0.114 Uiso 1 1 calc R U . . .
C323 C 0.2188(8) -0.2059(3) 0.4687(4) 0.105(4) Uani 1 1 d . . . . .
H32G H 0.160208 -0.204767 0.449931 0.158 Uiso 1 1 calc R U . . .
H32H H 0.218763 -0.224564 0.493751 0.158 Uiso 1 1 calc R U . . .
H32I H 0.234207 -0.181024 0.482441 0.158 Uiso 1 1 calc R U . . .
C324 C 0.6831(5) -0.1760(3) 0.2040(3) 0.063(2) Uani 1 1 d . . . . .
C325 C 0.7179(6) -0.2129(3) 0.2261(5) 0.101(4) Uani 1 1 d . . . . .
H32J H 0.707283 -0.213841 0.258604 0.151 Uiso 1 1 calc R U . . .
H32K H 0.687662 -0.234083 0.208622 0.151 Uiso 1 1 calc R U . . .
H32L H 0.781122 -0.214695 0.225226 0.151 Uiso 1 1 calc R U . . .
C326 C 0.6977(8) -0.1733(5) 0.1548(4) 0.153(7) Uani 1 1 d . . . . .
H32M H 0.674611 -0.149200 0.141497 0.230 Uiso 1 1 calc R U . . .
H32N H 0.760810 -0.174803 0.153373 0.230 Uiso 1 1 calc R U . . .
H32O H 0.667350 -0.194191 0.136769 0.230 Uiso 1 1 calc R U . . .
C327 C 0.7350(6) -0.1452(4) 0.2331(5) 0.113(4) Uani 1 1 d . . . . .
H32P H 0.725068 -0.147124 0.265635 0.169 Uiso 1 1 calc R U . . .
H32Q H 0.797818 -0.148299 0.231623 0.169 Uiso 1 1 calc R U . . .
H32R H 0.715594 -0.120328 0.220575 0.169 Uiso 1 1 calc R U . . .
C328 C 0.1294(4) 0.08103(19) 0.1343(2) 0.0353(13) Uani 1 1 d . . . . .
C329 C 0.0887(4) 0.04570(18) 0.1227(2) 0.0343(12) Uani 1 1 d . . . . .
C330 C -0.0038(4) 0.0453(2) 0.1135(2) 0.0430(15) Uani 1 1 d . . . . .
H330 H -0.033608 0.022088 0.105598 0.052 Uiso 1 1 calc R U . . .
C331 C -0.0521(4) 0.0782(2) 0.1157(2) 0.0466(15) Uani 1 1 d . . . . .
H331 H -0.114378 0.076923 0.109306 0.056 Uiso 1 1 calc R U . . .
C332 C -0.0119(4) 0.1134(2) 0.1271(2) 0.0445(15) Uani 1 1 d . . . . .
C333 C 0.0802(4) 0.1139(2) 0.1367(2) 0.0402(14) Uani 1 1 d . . . . .
H333 H 0.109587 0.137102 0.144939 0.048 Uiso 1 1 calc R U . . .
C334 C -0.0655(5) 0.1498(2) 0.1271(3) 0.060(2) Uani 1 1 d . . . . .
C360 C 0.1553(5) 0.1226(2) -0.0362(3) 0.0553(18) Uani 1 1 d . . . . .
C460 C 0.2775(8) 0.2086(2) 0.4465(3) 0.078(3) Uani 1 1 d . . . . .
C361 C 0.3209(9) 0.1799(3) 0.4818(3) 0.101(4) Uani 1 1 d . . . . .
H36A H 0.278005 0.160506 0.486910 0.151 Uiso 1 1 calc R U . . .
H36B H 0.370491 0.168099 0.469784 0.151 Uiso 1 1 calc R U . . .
H36C H 0.342103 0.192699 0.511433 0.151 Uiso 1 1 calc R U . . .
C461 C 0.1229(8) 0.0968(3) -0.0776(3) 0.098(4) Uani 1 1 d . . . . .
H46A H 0.092955 0.074849 -0.066668 0.146 Uiso 1 1 calc R U . . .
H46B H 0.081959 0.110703 -0.100783 0.146 Uiso 1 1 calc R U . . .
H46C H 0.173154 0.088205 -0.091989 0.146 Uiso 1 1 calc R U . . .
C362 C 0.2016(7) 0.1565(3) -0.0523(4) 0.084(3) Uani 1 1 d . . . . .
H36D H 0.221977 0.172819 -0.025441 0.125 Uiso 1 1 calc R U . . .
H36E H 0.252097 0.148156 -0.066576 0.125 Uiso 1 1 calc R U . . .
H36F H 0.160902 0.170655 -0.075370 0.125 Uiso 1 1 calc R U . . .
C462 C 0.3431(10) 0.2383(4) 0.4387(4) 0.115(4) Uani 1 1 d . . . . .
H46D H 0.315126 0.256801 0.415913 0.173 Uiso 1 1 calc R U . . .
H46E H 0.364270 0.251062 0.468317 0.173 Uiso 1 1 calc R U . . .
H46F H 0.392658 0.226461 0.426668 0.173 Uiso 1 1 calc R U . . .
C363 C 0.0744(6) 0.1358(4) -0.0159(4) 0.104(4) Uani 1 1 d . . . . .
H36G H 0.044046 0.113761 -0.005334 0.156 Uiso 1 1 calc R U . . .
H36H H 0.092736 0.152606 0.010738 0.156 Uiso 1 1 calc R U . . .
H36I H 0.034586 0.149326 -0.039916 0.156 Uiso 1 1 calc R U . . .
C463 C 0.2003(10) 0.2297(3) 0.4659(4) 0.110(4) Uani 1 1 d . . . . .
H46G H 0.155542 0.211334 0.471551 0.165 Uiso 1 1 calc R U . . .
H46H H 0.223411 0.242538 0.495212 0.165 Uiso 1 1 calc R U . . .
H46I H 0.174041 0.248394 0.442874 0.165 Uiso 1 1 calc R U . . .
C364 C -0.0653(17) 0.1692(6) 0.0830(7) 0.288(15) Uani 1 1 d . . . . .
H36J H -0.004590 0.173517 0.078015 0.432 Uiso 1 1 calc R U . . .
H36K H -0.095662 0.153619 0.057452 0.432 Uiso 1 1 calc R U . . .
H36L H -0.095676 0.193472 0.083607 0.432 Uiso 1 1 calc R U . . .
C464 C -0.1049(5) 0.1318(2) 0.4178(3) 0.0486(16) Uani 1 1 d . . . . .
C365 C -0.0512(6) 0.1606(2) 0.4500(3) 0.0580(19) Uani 1 1 d . . . . .
H36M H -0.000758 0.168954 0.435675 0.087 Uiso 1 1 calc R U . . .
H36N H -0.088210 0.182402 0.454521 0.087 Uiso 1 1 calc R U . . .
H36O H -0.030319 0.148801 0.480297 0.087 Uiso 1 1 calc R U . . .
C465 C -0.0262(11) 0.1757(5) 0.1631(9) 0.245(12) Uani 1 1 d . . . . .
H46J H 0.034852 0.180710 0.159171 0.368 Uiso 1 1 calc R U . . .
H46K H -0.059265 0.199512 0.160488 0.368 Uiso 1 1 calc R U . . .
H46L H -0.027630 0.164552 0.193962 0.368 Uiso 1 1 calc R U . . .
C366 C -0.1395(6) 0.1518(3) 0.3711(3) 0.068(2) Uani 1 1 d . . . . .
H36P H -0.089728 0.159934 0.356059 0.102 Uiso 1 1 calc R U . . .
H36Q H -0.176283 0.134270 0.350412 0.102 Uiso 1 1 calc R U . . .
H36R H -0.174426 0.173924 0.377149 0.102 Uiso 1 1 calc R U . . .
C466 C -0.1544(9) 0.1435(4) 0.1343(8) 0.188(9) Uani 1 1 d . . . . .
H46M H -0.183069 0.125964 0.110499 0.281 Uiso 1 1 calc R U . . .
H46N H -0.154689 0.132562 0.165465 0.281 Uiso 1 1 calc R U . . .
H46O H -0.186324 0.167522 0.131991 0.281 Uiso 1 1 calc R U . . .
C367 C -0.1049(5) 0.0822(2) 0.2703(3) 0.058(2) Uani 1 1 d . . . . .
H36S H -0.119102 0.107719 0.258170 0.087 Uiso 1 1 calc R U . . .
H36T H -0.156372 0.065866 0.262563 0.087 Uiso 1 1 calc R U . . .
H36U H -0.088182 0.083371 0.304379 0.087 Uiso 1 1 calc R U . . .
C467 C -0.1822(5) 0.1194(3) 0.4407(3) 0.065(2) Uani 1 1 d . . . . .
H46P H -0.217305 0.101019 0.420593 0.098 Uiso 1 1 calc R U . . .
H46Q H -0.160668 0.107843 0.471063 0.098 Uiso 1 1 calc R U . . .
H46R H -0.218559 0.141444 0.445287 0.098 Uiso 1 1 calc R U . . .
C368 C -0.0301(4) 0.0666(2) 0.2488(3) 0.0442(15) Uani 1 1 d . . . . .
H36V H -0.046753 0.065999 0.214323 0.053 Uiso 1 1 calc R U . . .
H36W H 0.021476 0.083513 0.256162 0.053 Uiso 1 1 calc R U . . .
C468 C 0.2831(4) 0.12775(18) 0.1606(2) 0.0334(12) Uani 1 1 d . . . . .
C369 C 0.2756(4) 0.13628(18) 0.2075(2) 0.0363(13) Uani 1 1 d . . . . .
C469 C -0.1287(12) -0.1804(6) 0.3503(5) 0.207(10) Uani 1 1 d . . . . .
H46S H -0.159868 -0.159306 0.333131 0.310 Uiso 1 1 calc R U . . .
H46T H -0.076896 -0.186920 0.336065 0.310 Uiso 1 1 calc R U . . .
H46U H -0.167854 -0.202310 0.349086 0.310 Uiso 1 1 calc R U . . .
C370 C 0.3004(5) 0.1723(2) 0.2238(3) 0.0514(18) Uani 1 1 d . . . . .
H370 H 0.293573 0.179245 0.254798 0.062 Uiso 1 1 calc R U . . .
C470 C -0.1808(10) -0.1617(4) 0.4221(9) 0.224(11) Uani 1 1 d . . . . .
H47A H -0.163101 -0.154249 0.454812 0.336 Uiso 1 1 calc R U . . .
H47B H -0.215138 -0.141291 0.405189 0.336 Uiso 1 1 calc R U . . .
H47C H -0.216652 -0.184660 0.420737 0.336 Uiso 1 1 calc R U . . .
C371 C -0.0537(9) -0.2022(3) 0.4243(6) 0.132(6) Uani 1 1 d . . . . .
H37A H -0.034101 -0.195862 0.457178 0.197 Uiso 1 1 calc R U . . .
H37B H -0.093644 -0.223892 0.422268 0.197 Uiso 1 1 calc R U . . .
H37C H -0.002686 -0.208503 0.409247 0.197 Uiso 1 1 calc R U . . .
C471 C 0.3350(6) 0.1981(2) 0.1955(3) 0.057(2) Uani 1 1 d . . . . .
H471 H 0.353511 0.222140 0.208040 0.068 Uiso 1 1 calc R U . . .
C372 C 0.4226(6) -0.1435(2) 0.0136(3) 0.0592(19) Uani 1 1 d . . . . .
C472 C 0.3434(5) 0.19011(19) 0.1495(3) 0.0469(16) Uani 1 1 d . . . . .
C373 C 0.3176(4) 0.15463(18) 0.1327(2) 0.0381(14) Uani 1 1 d . . . . .
H373 H 0.323327 0.148262 0.101450 0.046 Uiso 1 1 calc R U . . .
C473 C 0.5159(7) -0.1577(3) 0.0295(3) 0.085(3) Uani 1 1 d . . . . .
H47D H 0.523976 -0.162926 0.063207 0.127 Uiso 1 1 calc R U . . .
H47E H 0.525549 -0.180972 0.012610 0.127 Uiso 1 1 calc R U . . .
H47F H 0.558109 -0.138445 0.023069 0.127 Uiso 1 1 calc R U . . .
C374 C 0.4108(7) -0.1356(4) -0.0381(3) 0.094(3) Uani 1 1 d . . . . .
H37D H 0.350974 -0.126448 -0.048512 0.140 Uiso 1 1 calc R U . . .
H37E H 0.453170 -0.116349 -0.044444 0.140 Uiso 1 1 calc R U . . .
H37F H 0.420610 -0.158876 -0.054902 0.140 Uiso 1 1 calc R U . . .
C375 C 0.3563(10) -0.1741(4) 0.0223(5) 0.120(5) Uani 1 1 d . . . . .
H37G H 0.362914 -0.179700 0.055890 0.181 Uiso 1 1 calc R U . . .
H37H H 0.296443 -0.165105 0.011505 0.181 Uiso 1 1 calc R U . . .
H37I H 0.367095 -0.197131 0.005226 0.181 Uiso 1 1 calc R U . . .
C376 C 0.6845(5) 0.0015(3) 0.1470(3) 0.0575(19) Uani 1 1 d . . . . .
C377 C 0.7659(8) -0.0220(6) 0.1509(5) 0.155(7) Uani 1 1 d . . . . .
H37J H 0.750024 -0.048291 0.143226 0.232 Uiso 1 1 calc R U . . .
H37K H 0.803581 -0.012437 0.129050 0.232 Uiso 1 1 calc R U . . .
H37L H 0.797591 -0.020540 0.182903 0.232 Uiso 1 1 calc R U . . .
C378 C 0.6379(6) 0.0002(3) 0.0972(3) 0.075(3) Uani 1 1 d . . . . .
H37M H 0.584362 0.015583 0.094413 0.113 Uiso 1 1 calc R U . . .
H37N H 0.676699 0.010282 0.076244 0.113 Uiso 1 1 calc R U . . .
H37O H 0.622332 -0.025948 0.088515 0.113 Uiso 1 1 calc R U . . .
C379 C 0.7069(13) 0.0420(4) 0.1585(5) 0.172(8) Uani 1 1 d . . . . .
H37P H 0.652698 0.056889 0.155814 0.258 Uiso 1 1 calc R U . . .
H37Q H 0.738260 0.043701 0.190604 0.258 Uiso 1 1 calc R U . . .
H37R H 0.744251 0.051804 0.136752 0.258 Uiso 1 1 calc R U . . .
O1 O 0.2914(3) 0.05115(11) 0.17148(13) 0.0295(8) Uani 1 1 d . . . . .
O2 O 0.4383(3) 0.07865(14) 0.24951(16) 0.0437(11) Uani 1 1 d D U . . .
H2 H 0.458(2) 0.0870(10) 0.270(3) 0.052 Uiso 1 1 calc R U . . .
O3 O 0.2422(3) 0.11086(11) 0.23435(14) 0.0346(9) Uani 1 1 d . . . . .
O4 O 0.1758(3) 0.06578(11) 0.30384(14) 0.0320(9) Uani 1 1 d . . . . .
O5 O 0.0233(3) -0.05153(12) 0.27467(15) 0.0356(9) Uani 1 1 d . . . . .
O6 O 0.1966(3) -0.06005(11) 0.33168(14) 0.0318(8) Uani 1 1 d . . . . .
O7 O -0.0067(3) 0.02950(12) 0.26533(16) 0.0384(10) Uani 1 1 d . . . . .
H7 H -0.057172 0.014571 0.267596 0.046 Uiso 1 1 calc R U . . .
O8 O 0.0999(3) 0.00922(12) 0.36311(14) 0.0339(9) Uani 1 1 d . . . . .
O9 O 0.3002(3) -0.11674(11) 0.28481(14) 0.0323(9) Uani 1 1 d . . . . .
O10 O 0.3319(2) -0.07272(12) 0.20173(14) 0.0311(8) Uani 1 1 d . . . . .
O11 O 0.2794(2) 0.00193(11) 0.31092(13) 0.0295(8) Uani 1 1 d . . . . .
H11 H 0.297683 0.006206 0.345200 0.035 Uiso 1 1 calc R U . . .
O12 O 0.1712(2) 0.02584(11) 0.22520(13) 0.0277(8) Uani 1 1 d . . . . .
H12 H 0.126500 0.043770 0.208868 0.033 Uiso 1 1 calc R U . . .
O13 O 0.3510(2) -0.00046(11) 0.23624(13) 0.0283(8) Uani 1 1 d . . . . .
H13 H 0.410687 0.001350 0.226773 0.034 Uiso 1 1 calc R U . . .
O14 O 0.1937(2) -0.04545(11) 0.23740(13) 0.0277(8) Uani 1 1 d . . . . .
H14 H 0.160975 -0.069504 0.229058 0.033 Uiso 1 1 calc R U . . .
O15 O 0.1608(3) -0.06598(12) 0.13114(15) 0.0387(10) Uani 1 1 d . . . . .
H15 H 0.123422 -0.057609 0.103875 0.046 Uiso 1 1 calc R U . . .
O16 O 0.3669(3) 0.07438(12) 0.33759(14) 0.0345(9) Uani 1 1 d . . . . .
O17 O 0.4782(3) -0.05951(12) 0.27823(14) 0.0342(9) Uani 1 1 d . . . . .
O20 O 0.3161(3) -0.15657(13) 0.20945(17) 0.0429(11) Uani 1 1 d . . . . .
H20 H 0.307062 -0.137204 0.224819 0.064 Uiso 1 1 calc R U . . .
O21 O 0.3385(3) -0.01852(12) 0.12377(13) 0.0332(9) Uani 1 1 d . . . . .
O24 O 0.1392(3) -0.04464(13) 0.42303(15) 0.0430(10) Uani 1 1 d . . . . .
H24 H 0.138450 -0.031702 0.398619 0.065 Uiso 1 1 calc R U . . .
O30 O 0.1166(3) 0.14406(13) 0.27233(15) 0.0415(10) Uani 1 1 d . . . . .
H30 H 0.151803 0.130608 0.260013 0.062 Uiso 1 1 calc R U . . .
O31 O 0.4056(3) 0.04386(14) 0.09705(16) 0.0430(11) Uani 1 1 d . . . . .
H31 H 0.383246 0.024830 0.107986 0.065 Uiso 1 1 calc R U . . .
P5 P 0.17935(10) 0.08424(4) 0.35159(5) 0.0299(3) Uani 1 1 d . . . . .
P6 P 0.41356(9) -0.08305(4) 0.18096(5) 0.0292(3) Uani 1 1 d . . . . .
P7 P 0.24710(10) 0.08203(4) 0.13966(5) 0.0314(3) Uani 1 1 d . . . . .
P8 P 0.15384(10) -0.09846(4) 0.33554(5) 0.0324(3) Uani 1 1 d . . . . .
Tb1 Tb 0.30127(2) 0.05589(2) 0.26373(2) 0.02904(9) Uani 1 1 d . . . . .
Tb2 Tb 0.33250(2) -0.05424(2) 0.28402(2) 0.02811(9) Uani 1 1 d . . . . .
Tb3 Tb 0.23704(2) -0.01430(2) 0.17325(2) 0.02863(9) Uani 1 1 d . . . . .
Tb4 Tb 0.12632(2) -0.00515(2) 0.28895(2) 0.02868(9) Uani 1 1 d . . . . .
O32 O 0.1347(3) 0.01457(12) 0.11976(14) 0.0357(9) Uani 1 1 d . . . . .
C700 C 0.1572(5) -0.1060(2) 0.1365(3) 0.0557(18) Uani 1 1 d . . . . .
H70A H 0.099610 -0.112997 0.145263 0.067 Uiso 1 1 calc R U . . .
H70B H 0.203466 -0.113934 0.162269 0.067 Uiso 1 1 calc R U . . .
C701 C 0.1695(6) -0.1270(3) 0.0926(4) 0.073(2) Uani 1 1 d . . . . .
H70C H 0.166492 -0.154270 0.098091 0.109 Uiso 1 1 calc R U . . .
H70D H 0.123121 -0.119724 0.067097 0.109 Uiso 1 1 calc R U . . .
H70E H 0.227000 -0.120662 0.084107 0.109 Uiso 1 1 calc R U . . .
C1A C 0.3208(4) 0.04115(19) 0.4707(2) 0.0365(13) Uani 1 1 d . . . . .
C600 C 0.3806(5) 0.21928(19) 0.1191(2) 0.0575(19) Uani 1 1 d D . . . .
C601 C 0.3873(9) 0.2042(4) 0.0696(4) 0.057(4) Uani 0.557(15) 1 d D . P A 1
H60A H 0.329820 0.194614 0.055039 0.085 Uiso 0.557(15) 1 calc R U P A 1
H60B H 0.405723 0.224659 0.050461 0.085 Uiso 0.557(15) 1 calc R U P A 1
H60C H 0.430526 0.183679 0.071907 0.085 Uiso 0.557(15) 1 calc R U P A 1
C602 C 0.3133(10) 0.2518(4) 0.1112(5) 0.074(5) Uani 0.557(15) 1 d D . P A 1
H60D H 0.256432 0.241859 0.096206 0.111 Uiso 0.557(15) 1 calc R U P A 1
H60E H 0.306673 0.263181 0.141305 0.111 Uiso 0.557(15) 1 calc R U P A 1
H60F H 0.333910 0.270941 0.090931 0.111 Uiso 0.557(15) 1 calc R U P A 1
C603 C 0.4668(9) 0.2339(5) 0.1417(5) 0.101(8) Uani 0.557(15) 1 d D . P A 1
H60G H 0.488527 0.252517 0.121174 0.151 Uiso 0.557(15) 1 calc R U P A 1
H60H H 0.460260 0.245831 0.171535 0.151 Uiso 0.557(15) 1 calc R U P A 1
H60I H 0.508721 0.212925 0.147359 0.151 Uiso 0.557(15) 1 calc R U P A 1
C605 C 0.4093(12) 0.2563(4) 0.1460(6) 0.066(6) Uani 0.443(15) 1 d D . P A 2
H60J H 0.450294 0.250190 0.174420 0.099 Uiso 0.443(15) 1 calc R U P A 2
H60K H 0.438282 0.272965 0.126064 0.099 Uiso 0.443(15) 1 calc R U P A 2
H60L H 0.357525 0.268984 0.154602 0.099 Uiso 0.443(15) 1 calc R U P A 2
C606 C 0.4663(10) 0.2034(5) 0.1049(8) 0.088(8) Uani 0.443(15) 1 d D . P A 2
H60M H 0.507500 0.197023 0.133144 0.132 Uiso 0.443(15) 1 calc R U P A 2
H60N H 0.453019 0.180718 0.085800 0.132 Uiso 0.443(15) 1 calc R U P A 2
H60O H 0.492887 0.222532 0.086922 0.132 Uiso 0.443(15) 1 calc R U P A 2
C604 C 0.3181(13) 0.2290(6) 0.0759(6) 0.099(9) Uani 0.443(15) 1 d D . P A 2
H60P H 0.345182 0.247800 0.057743 0.149 Uiso 0.443(15) 1 calc R U P A 2
H60Q H 0.304359 0.206176 0.057048 0.149 Uiso 0.443(15) 1 calc R U P A 2
H60R H 0.263977 0.239375 0.084752 0.149 Uiso 0.443(15) 1 calc R U P A 2
O1P O 0.5616(3) -0.08544(16) 0.35968(19) 0.0569(13) Uani 1 1 d D . . . .
H1P H 0.535699 -0.080331 0.332711 0.085 Uiso 1 1 calc R U . . .
O9U O 0.5312(5) 0.0964(3) 0.3339(3) 0.130(4) Uani 1 1 d D . . . .
H9U H 0.547929 0.112526 0.315907 0.195 Uiso 1 1 calc R U . . .
C2U C 0.5043(6) 0.0793(3) 0.1667(3) 0.081(3) Uani 1 1 d D U . . .
H2U1 H 0.564301 0.085449 0.161930 0.122 Uiso 1 1 calc R U . . .
H2U2 H 0.490143 0.053381 0.156144 0.122 Uiso 1 1 calc R U . . .
H2U3 H 0.462969 0.096866 0.148769 0.122 Uiso 1 1 calc R U . . .
C1P C 0.5660(7) -0.1255(2) 0.3657(4) 0.102(4) Uani 1 1 d D . . . .
H1P1 H 0.508210 -0.135575 0.370696 0.122 Uiso 1 1 calc R U . . .
H1P2 H 0.610226 -0.132205 0.392978 0.122 Uiso 1 1 calc R U . . .
C10U C 0.6027(8) 0.0691(5) 0.3483(5) 0.151(7) Uani 1 1 d D . . . .
H10A H 0.626356 0.073224 0.381692 0.181 Uiso 1 1 calc R U . . .
H10B H 0.578648 0.043168 0.344966 0.181 Uiso 1 1 calc R U . . .
C11U C 0.6715(10) 0.0725(5) 0.3216(6) 0.141(6) Uani 1 1 d . . . . .
H11A H 0.717313 0.053899 0.332398 0.212 Uiso 1 1 calc R U . . .
H11B H 0.648753 0.067947 0.288550 0.212 Uiso 1 1 calc R U . . .
H11C H 0.696464 0.098005 0.325277 0.212 Uiso 1 1 calc R U . . .
C1U C 0.4975(9) 0.0824(5) 0.2158(4) 0.142(5) Uani 1 1 d D U . . .
H1U1 H 0.546380 0.065882 0.229789 0.171 Uiso 1 1 calc R U . . .
H1U2 H 0.519806 0.108406 0.222576 0.171 Uiso 1 1 calc R U . . .
C2P C 0.5913(11) -0.1410(4) 0.3222(5) 0.137(5) Uani 1 1 d D . . . .
H2P1 H 0.595262 -0.168589 0.324523 0.206 Uiso 1 1 calc R U . . .
H2P2 H 0.547016 -0.134021 0.295528 0.206 Uiso 1 1 calc R U . . .
H2P3 H 0.648506 -0.130668 0.317696 0.206 Uiso 1 1 calc R U . . .
O1I O 0.0687(3) -0.03558(15) 0.05387(15) 0.0487(12) Uani 1 1 d D . . . .
H1I H 0.081501 -0.014640 0.066823 0.073 Uiso 1 1 calc R U . . .
C1I C 0.1122(5) -0.0392(2) 0.0139(2) 0.0547(18) Uani 1 1 d D . . . .
H1I1 H 0.072920 -0.052409 -0.011297 0.066 Uiso 1 1 calc R U . . .
H1I2 H 0.165645 -0.054831 0.022183 0.066 Uiso 1 1 calc R U . . .
C2I C 0.1381(5) -0.0011(2) -0.0043(3) 0.0564(19) Uani 1 1 d D . . . .
H2I1 H 0.167642 -0.004996 -0.031671 0.085 Uiso 1 1 calc R U . . .
H2I2 H 0.085349 0.014292 -0.013262 0.085 Uiso 1 1 calc R U . . .
H2I3 H 0.178072 0.011870 0.020217 0.085 Uiso 1 1 calc R U . . .
O18 O 0.3968(3) -0.06058(14) 0.36372(15) 0.0423(10) Uani 1 1 d D . . B 1
H18A H 0.428517 -0.084936 0.364142 0.051 Uiso 0.8 1 calc R U P B 1
H18B H 0.443214 -0.040996 0.367431 0.051 Uiso 1 1 calc R U . B 1
C380 C 0.366(2) -0.0602(9) 0.4080(6) 0.047(7) Uani 0.2 1 d D . P B 1
H38A H 0.301360 -0.060267 0.402812 0.056 Uiso 0.2 1 calc R U P B 1
H38B H 0.386223 -0.036548 0.424657 0.056 Uiso 0.2 1 calc R U P B 1
C381 C 0.400(4) -0.0941(11) 0.4391(13) 0.076(13) Uani 0.2 1 d D . P B 1
H38C H 0.376986 -0.092436 0.468845 0.114 Uiso 0.2 1 calc R U P B 1
H38D H 0.379173 -0.117652 0.423109 0.114 Uiso 0.2 1 calc R U P B 1
H38E H 0.464074 -0.093924 0.444963 0.114 Uiso 0.2 1 calc R U P B 1
O382 O 0.3195(4) -0.06145(18) 0.4393(2) 0.0486(15) Uani 0.8 1 d D . P C 2
H382 H 0.266692 -0.054537 0.434260 0.073 Uiso 0.8 1 calc R U P C 2
C383 C 0.3310(6) -0.0886(3) 0.4761(3) 0.053(2) Uani 0.8 1 d D . P C 2
H38F H 0.283689 -0.107779 0.470818 0.063 Uiso 0.8 1 calc R U P C 2
H38G H 0.328638 -0.076101 0.506441 0.063 Uiso 0.8 1 calc R U P C 2
C384 C 0.4201(6) -0.1074(3) 0.4765(4) 0.069(3) Uani 0.8 1 d D . P C 2
H38H H 0.429350 -0.126258 0.501604 0.104 Uiso 0.8 1 calc R U P C 2
H38I H 0.421676 -0.119816 0.446367 0.104 Uiso 0.8 1 calc R U P C 2
H38J H 0.466465 -0.088251 0.481864 0.104 Uiso 0.8 1 calc R U P C 2
O400 O -0.1334(4) -0.02081(16) 0.27349(19) 0.0580(13) Uiso 1 1 d D . . . .
H400 H -0.136543 -0.040858 0.257772 0.087 Uiso 1 1 calc R U . . .
C401 C -0.1580(7) -0.0282(3) 0.3176(3) 0.073(2) Uiso 1 1 d D . . . .
H40A H -0.204310 -0.010091 0.323385 0.087 Uiso 1 1 calc R U . . .
H40B H -0.106678 -0.024485 0.342325 0.087 Uiso 1 1 calc R U . . .
C402 C -0.1922(7) -0.0684(3) 0.3200(4) 0.095(4) Uani 1 1 d D . . . .
H40C H -0.208894 -0.072845 0.350885 0.143 Uiso 1 1 calc R U . . .
H40D H -0.243568 -0.071862 0.295846 0.143 Uiso 1 1 calc R U . . .
H40E H -0.146065 -0.086237 0.314762 0.143 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
C200 C205 1.400(9) . ?
C200 C201 1.406(8) . ?
C200 P5 1.790(6) . ?
C201 C202 1.378(9) . ?
C201 H201 0.9500 . ?
C202 C203 1.392(10) . ?
C202 C464 1.542(9) . ?
C203 C204 1.387(10) . ?
C203 H203 0.9500 . ?
C204 C205 1.395(9) . ?
C204 H204 0.9500 . ?
C205 O8 1.347(7) . ?
C210 O31 1.367(8) . ?
C210 C211 1.389(9) . ?
C210 C215 1.393(9) . ?
C211 C212 1.419(9) . ?
C211 P7 1.802(6) . ?
C212 C213 1.375(9) . ?
C212 H212 0.9500 . ?
C213 C214 1.404(10) . ?
C213 C360 1.542(10) . ?
C214 C215 1.379(11) . ?
C214 H214 0.9500 . ?
C215 H215 0.9500 . ?
C220 C225 1.392(9) . ?
C220 C221 1.401(9) . ?
C220 P6 1.809(7) . ?
C221 C222 1.384(10) . ?
C221 H221 0.9500 . ?
C222 C223 1.389(11) . ?
C222 C324 1.540(10) . ?
C223 C224 1.376(11) . ?
C223 H223 0.9500 . ?
C224 C225 1.388(10) . ?
C224 H224 0.9500 . ?
C225 O20 1.368(8) . ?
C230 O5 1.321(8) . ?
C230 C235 1.407(9) . ?
C230 C231 1.422(9) . ?
C231 C232 1.367(10) . ?
C231 H231 0.9500 . ?
C232 C233 1.389(10) . ?
C232 H232 0.9500 . ?
C233 C234 1.384(10) . ?
C233 C316 1.547(10) . ?
C234 C235 1.392(9) . ?
C234 H234 0.9500 . ?
C235 P8 1.799(7) . ?
C240 C245 1.399(9) . ?
C240 C241 1.416(9) . ?
C240 P5 1.794(7) . ?
C241 C242 1.374(9) . ?
C241 O30 1.383(8) . ?
C242 C243 1.380(10) . ?
C242 H242 0.9500 . ?
C243 C244 1.391(11) . ?
C243 H243 0.9500 . ?
C244 C245 1.375(10) . ?
C244 C460 1.541(11) . ?
C245 H245 0.9500 . ?
C250 C251 1.403(8) . ?
C250 C255 1.418(9) . ?
C250 P6 1.776(6) . ?
C251 C252 1.393(9) . ?
C251 H251 0.9500 . ?
C252 C253 1.389(11) . ?
C252 C372 1.529(10) . ?
C253 C254 1.385(10) . ?
C253 H253 0.9500 . ?
C254 C255 1.399(9) . ?
C254 H254 0.9500 . ?
C255 O21 1.332(7) . ?
C260 C261 1.393(8) . ?
C260 C265 1.407(9) . ?
C260 P8 1.793(6) . ?
C261 O9 1.344(7) . ?
C261 C262 1.393(9) . ?
C262 C263 1.362(9) . ?
C262 H262 0.9500 . ?
C263 C264 1.401(9) . ?
C263 H263 0.9500 . ?
C264 C265 1.384(9) . ?
C264 C320 1.533(9) . ?
C265 H265 0.9500 . ?
C270 C271 1.389(10) . ?
C270 C275 1.405(10) . ?
C270 P8 1.806(6) . ?
C271 O24 1.373(9) . ?
C271 C272 1.397(9) . ?
C272 C273 1.386(12) . ?
C272 H272 0.9500 . ?
C273 C274 1.391(12) . ?
C273 H273 0.9500 . ?
C274 C275 1.391(9) . ?
C274 C276 1.517(12) . ?
C275 H275 0.9500 . ?
C276 C469 1.490(16) . ?
C276 C371 1.492(14) . ?
C276 C470 1.499(14) . ?
C300 O17 1.334(8) . ?
C300 C305 1.402(9) . ?
C300 C301 1.408(9) . ?
C301 C302 1.400(8) . ?
C301 P6 1.791(6) . ?
C302 C303 1.393(9) . ?
C302 H302 0.9500 . ?
C303 C304 1.395(10) . ?
C303 C376 1.537(9) . ?
C304 C305 1.388(10) . ?
C304 H304 0.9500 . ?
C305 H305 0.9500 . ?
C306 O16 1.336(7) . ?
C306 C311 1.400(9) . ?
C306 C307 1.415(8) . ?
C307 C308 1.385(9) . ?
C307 P5 1.786(6) . ?
C308 C1A 1.384(9) . ?
C308 H308 0.9500 . ?
C310 C311 1.381(9) . ?
C310 C1A 1.391(9) . ?
C310 H310 0.9500 . ?
C311 H311 0.9500 . ?
C312 C313 1.494(10) . ?
C312 C315 1.500(11) . ?
C312 C1A 1.541(9) . ?
C312 C314 1.576(11) . ?
C313 H31A 0.9800 . ?
C313 H31B 0.9800 . ?
C313 H31C 0.9800 . ?
C314 H31D 0.9800 . ?
C314 H31E 0.9800 . ?
C314 H31F 0.9800 . ?
C315 H31G 0.9800 . ?
C315 H31H 0.9800 . ?
C315 H31I 0.9800 . ?
C316 C319 1.521(11) . ?
C316 C317 1.527(11) . ?
C316 C318 1.533(11) . ?
C317 H31J 0.9800 . ?
C317 H31K 0.9800 . ?
C317 H31L 0.9800 . ?
C318 H31M 0.9800 . ?
C318 H31N 0.9800 . ?
C318 H31O 0.9800 . ?
C319 H31P 0.9800 . ?
C319 H31Q 0.9800 . ?
C319 H31R 0.9800 . ?
C320 C323 1.523(12) . ?
C320 C321 1.528(11) . ?
C320 C322 1.529(12) . ?
C321 H32A 0.9800 . ?
C321 H32B 0.9800 . ?
C321 H32C 0.9800 . ?
C322 H32D 0.9800 . ?
C322 H32E 0.9800 . ?
C322 H32F 0.9800 . ?
C323 H32G 0.9800 . ?
C323 H32H 0.9800 . ?
C323 H32I 0.9800 . ?
C324 C326 1.479(13) . ?
C324 C325 1.515(13) . ?
C324 C327 1.526(15) . ?
C325 H32J 0.9800 . ?
C325 H32K 0.9800 . ?
C325 H32L 0.9800 . ?
C326 H32M 0.9800 . ?
C326 H32N 0.9800 . ?
C326 H32O 0.9800 . ?
C327 H32P 0.9800 . ?
C327 H32Q 0.9800 . ?
C327 H32R 0.9800 . ?
C328 C333 1.396(9) . ?
C328 C329 1.416(9) . ?
C328 P7 1.795(6) . ?
C329 O32 1.319(7) . ?
C329 C330 1.409(9) . ?
C330 C331 1.389(10) . ?
C330 H330 0.9500 . ?
C331 C332 1.407(11) . ?
C331 H331 0.9500 . ?
C332 C333 1.402(9) . ?
C332 C334 1.531(10) . ?
C333 H333 0.9500 . ?
C334 C466 1.434(14) . ?
C334 C465 1.449(17) . ?
C334 C364 1.450(16) . ?
C360 C362 1.505(12) . ?
C360 C461 1.529(13) . ?
C360 C363 1.529(13) . ?
C460 C462 1.497(15) . ?
C460 C361 1.520(14) . ?
C460 C463 1.578(16) . ?
C361 H36A 0.9800 . ?
C361 H36B 0.9800 . ?
C361 H36C 0.9800 . ?
C461 H46A 0.9800 . ?
C461 H46B 0.9800 . ?
C461 H46C 0.9800 . ?
C362 H36D 0.9800 . ?
C362 H36E 0.9800 . ?
C362 H36F 0.9800 . ?
C462 H46D 0.9800 . ?
C462 H46E 0.9800 . ?
C462 H46F 0.9800 . ?
C363 H36G 0.9800 . ?
C363 H36H 0.9800 . ?
C363 H36I 0.9800 . ?
C463 H46G 0.9800 . ?
C463 H46H 0.9800 . ?
C463 H46I 0.9800 . ?
C364 H36J 0.9800 . ?
C364 H36K 0.9800 . ?
C364 H36L 0.9800 . ?
C464 C467 1.512(10) . ?
C464 C365 1.533(11) . ?
C464 C366 1.547(11) . ?
C365 H36M 0.9800 . ?
C365 H36N 0.9800 . ?
C365 H36O 0.9800 . ?
C465 H46J 0.9800 . ?
C465 H46K 0.9800 . ?
C465 H46L 0.9800 . ?
C366 H36P 0.9800 . ?
C366 H36Q 0.9800 . ?
C366 H36R 0.9800 . ?
C466 H46M 0.9800 . ?
C466 H46N 0.9800 . ?
C466 H46O 0.9800 . ?
C367 C368 1.497(10) . ?
C367 H36S 0.9800 . ?
C367 H36T 0.9800 . ?
C367 H36U 0.9800 . ?
C467 H46P 0.9800 . ?
C467 H46Q 0.9800 . ?
C467 H46R 0.9800 . ?
C368 O7 1.427(8) . ?
C368 H36V 0.9900 . ?
C368 H36W 0.9900 . ?
C468 C373 1.402(8) . ?
C468 C369 1.413(8) . ?
C468 P7 1.785(7) . ?
C369 O3 1.341(7) . ?
C369 C370 1.391(10) . ?
C469 H46S 0.9800 . ?
C469 H46T 0.9800 . ?
C469 H46U 0.9800 . ?
C370 C471 1.388(10) . ?
C370 H370 0.9500 . ?
C470 H47A 0.9800 . ?
C470 H47B 0.9800 . ?
C470 H47C 0.9800 . ?
C371 H37A 0.9800 . ?
C371 H37B 0.9800 . ?
C371 H37C 0.9800 . ?
C471 C472 1.387(10) . ?
C471 H471 0.9500 . ?
C372 C374 1.503(12) . ?
C372 C473 1.525(13) . ?
C372 C375 1.537(14) . ?
C472 C373 1.382(10) . ?
C472 C600 1.522(9) . ?
C373 H373 0.9500 . ?
C473 H47D 0.9800 . ?
C473 H47E 0.9800 . ?
C473 H47F 0.9800 . ?
C374 H37D 0.9800 . ?
C374 H37E 0.9800 . ?
C374 H37F 0.9800 . ?
C375 H37G 0.9800 . ?
C375 H37H 0.9800 . ?
C375 H37I 0.9800 . ?
C376 C377 1.492(14) . ?
C376 C379 1.500(14) . ?
C376 C378 1.510(12) . ?
C377 H37J 0.9800 . ?
C377 H37K 0.9800 . ?
C377 H37L 0.9800 . ?
C378 H37M 0.9800 . ?
C378 H37N 0.9800 . ?
C378 H37O 0.9800 . ?
C379 H37P 0.9800 . ?
C379 H37Q 0.9800 . ?
C379 H37R 0.9800 . ?
O1 P7 1.522(4) . ?
O1 Tb3 2.466(4) . ?
O1 Tb1 2.655(4) . ?
O2 C1U 1.438(8) . ?
O2 Tb1 2.353(4) . ?
O2 H2 0.69(8) . ?
O3 Tb1 2.258(4) . ?
O4 P5 1.521(4) . ?
O4 Tb1 2.426(4) . ?
O4 Tb4 2.639(4) . ?
O5 Tb4 2.276(4) . ?
O6 P8 1.522(4) . ?
O6 Tb4 2.463(4) . ?
O6 Tb2 2.683(4) . ?
O7 Tb4 2.395(4) . ?
O7 H7 0.9500 . ?
O8 Tb4 2.301(4) . ?
O9 Tb2 2.268(4) . ?
O10 P6 1.518(4) . ?
O10 Tb2 2.467(4) . ?
O10 Tb3 2.592(4) . ?
O11 Tb2 2.327(4) . ?
O11 Tb4 2.359(4) . ?
O11 Tb1 2.400(4) . ?
O11 H11 1.0000 . ?
O12 Tb4 2.338(4) . ?
O12 Tb1 2.388(4) . ?
O12 Tb3 2.402(4) . ?
O12 H12 1.0000 . ?
O13 Tb1 2.320(4) . ?
O13 Tb3 2.380(4) . ?
O13 Tb2 2.394(4) . ?
O13 H13 1.0000 . ?
O14 Tb3 2.341(4) . ?
O14 Tb2 2.366(4) . ?
O14 Tb4 2.410(4) . ?
O14 H14 1.0000 . ?
O15 C700 1.427(9) . ?
O15 Tb3 2.402(4) . ?
O15 H15 0.9500 . ?
O16 Tb1 2.314(4) . ?
O17 Tb2 2.282(4) . ?
O20 H20 0.8400 . ?
O21 Tb3 2.280(4) . ?
O24 H24 0.8400 . ?
O30 H30 0.8400 . ?
O31 H31 0.8400 . ?
Tb1 Tb4 3.6131(5) . ?
Tb1 Tb3 3.6340(5) . ?
Tb1 Tb2 3.9592(5) . ?
Tb2 O18 2.376(4) . ?
Tb2 Tb3 3.6035(5) . ?
Tb2 Tb4 3.6406(5) . ?
Tb3 O32 2.275(4) . ?
Tb3 Tb4 3.9943(5) . ?
C700 C701 1.507(12) . ?
C700 H70A 0.9900 . ?
C700 H70B 0.9900 . ?
C701 H70C 0.9800 . ?
C701 H70D 0.9800 . ?
C701 H70E 0.9800 . ?
C600 C603 1.481(10) . ?
C600 C604 1.494(11) . ?
C600 C602 1.541(10) . ?
C600 C601 1.547(10) . ?
C600 C606 1.547(11) . ?
C600 C605 1.552(11) . ?
C601 H60A 0.9800 . ?
C601 H60B 0.9800 . ?
C601 H60C 0.9800 . ?
C602 H60D 0.9800 . ?
C602 H60E 0.9800 . ?
C602 H60F 0.9800 . ?
C603 H60G 0.9800 . ?
C603 H60H 0.9800 . ?
C603 H60I 0.9800 . ?
C605 H60J 0.9800 . ?
C605 H60K 0.9800 . ?
C605 H60L 0.9800 . ?
C606 H60M 0.9800 . ?
C606 H60N 0.9800 . ?
C606 H60O 0.9800 . ?
C604 H60P 0.9800 . ?
C604 H60Q 0.9800 . ?
C604 H60R 0.9800 . ?
O1P C1P 1.427(8) . ?
O1P H1P 0.8400 . ?
O9U C10U 1.474(9) . ?
O9U H9U 0.8400 . ?
C2U C1U 1.445(9) . ?
C2U H2U1 0.9800 . ?
C2U H2U2 0.9800 . ?
C2U H2U3 0.9800 . ?
C1P C2P 1.479(9) . ?
C1P H1P1 0.9900 . ?
C1P H1P2 0.9900 . ?
C10U C11U 1.408(17) . ?
C10U H10A 0.9900 . ?
C10U H10B 0.9900 . ?
C11U H11A 0.9800 . ?
C11U H11B 0.9800 . ?
C11U H11C 0.9800 . ?
C1U H1U1 0.9900 . ?
C1U H1U2 0.9900 . ?
C2P H2P1 0.9800 . ?
C2P H2P2 0.9800 . ?
C2P H2P3 0.9800 . ?
O1I C1I 1.429(7) . ?
O1I H1I 0.8400 . ?
C1I C2I 1.521(8) . ?
C1I H1I1 0.9900 . ?
C1I H1I2 0.9900 . ?
C2I H2I1 0.9800 . ?
C2I H2I2 0.9800 . ?
C2I H2I3 0.9800 . ?
O18 C380 1.429(10) . ?
O18 H18A 0.9900 . ?
O18 H18B 0.9900 . ?
C380 C381 1.540(10) . ?
C380 H38A 0.9900 . ?
C380 H38B 0.9900 . ?
C381 H38C 0.9800 . ?
C381 H38D 0.9800 . ?
C381 H38E 0.9800 . ?
O382 C383 1.424(7) . ?
O382 H382 0.8400 . ?
C383 C384 1.522(8) . ?
C383 H38F 0.9900 . ?
C383 H38G 0.9900 . ?
C384 H38H 0.9800 . ?
C384 H38I 0.9800 . ?
C384 H38J 0.9800 . ?
O400 C401 1.410(9) . ?
O400 H400 0.8400 . ?
C401 C402 1.522(8) . ?
C401 H40A 0.9900 . ?
C401 H40B 0.9900 . ?
C402 H40C 0.9800 . ?
C402 H40D 0.9800 . ?
C402 H40E 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
C205 C200 C201 120.6(6) . . ?
C205 C200 P5 118.0(4) . . ?
C201 C200 P5 121.4(5) . . ?
C202 C201 C200 121.9(6) . . ?
C202 C201 H201 119.0 . . ?
C200 C201 H201 119.0 . . ?
C201 C202 C203 116.3(6) . . ?
C201 C202 C464 119.9(6) . . ?
C203 C202 C464 123.8(6) . . ?
C204 C203 C202 123.2(6) . . ?
C204 C203 H203 118.4 . . ?
C202 C203 H203 118.4 . . ?
C203 C204 C205 119.9(7) . . ?
C203 C204 H204 120.0 . . ?
C205 C204 H204 120.0 . . ?
O8 C205 C204 121.5(6) . . ?
O8 C205 C200 120.8(5) . . ?
C204 C205 C200 117.7(6) . . ?
O31 C210 C211 123.3(5) . . ?
O31 C210 C215 117.9(6) . . ?
C211 C210 C215 118.8(6) . . ?
C210 C211 C212 118.6(6) . . ?
C210 C211 P7 125.2(5) . . ?
C212 C211 P7 116.0(5) . . ?
C213 C212 C211 123.0(6) . . ?
C213 C212 H212 118.5 . . ?
C211 C212 H212 118.5 . . ?
C212 C213 C214 116.9(6) . . ?
C212 C213 C360 122.0(7) . . ?
C214 C213 C360 121.1(6) . . ?
C215 C214 C213 121.1(6) . . ?
C215 C214 H214 119.4 . . ?
C213 C214 H214 119.4 . . ?
C214 C215 C210 121.6(7) . . ?
C214 C215 H215 119.2 . . ?
C210 C215 H215 119.2 . . ?
C225 C220 C221 118.0(6) . . ?
C225 C220 P6 124.6(5) . . ?
C221 C220 P6 117.2(5) . . ?
C222 C221 C220 123.1(6) . . ?
C222 C221 H221 118.4 . . ?
C220 C221 H221 118.4 . . ?
C221 C222 C223 116.9(6) . . ?
C221 C222 C324 120.1(7) . . ?
C223 C222 C324 123.1(7) . . ?
C224 C223 C222 121.7(7) . . ?
C224 C223 H223 119.1 . . ?
C222 C223 H223 119.1 . . ?
C223 C224 C225 120.6(7) . . ?
C223 C224 H224 119.7 . . ?
C225 C224 H224 119.7 . . ?
O20 C225 C224 117.8(6) . . ?
O20 C225 C220 122.5(6) . . ?
C224 C225 C220 119.7(6) . . ?
O5 C230 C235 122.0(6) . . ?
O5 C230 C231 121.7(6) . . ?
C235 C230 C231 116.2(6) . . ?
C232 C231 C230 121.0(6) . . ?
C232 C231 H231 119.5 . . ?
C230 C231 H231 119.5 . . ?
C231 C232 C233 123.1(6) . . ?
C231 C232 H232 118.5 . . ?
C233 C232 H232 118.5 . . ?
C234 C233 C232 116.2(6) . . ?
C234 C233 C316 119.8(6) . . ?
C232 C233 C316 123.9(6) . . ?
C233 C234 C235 122.7(6) . . ?
C233 C234 H234 118.7 . . ?
C235 C234 H234 118.7 . . ?
C234 C235 C230 120.7(6) . . ?
C234 C235 P8 122.0(5) . . ?
C230 C235 P8 117.1(5) . . ?
C245 C240 C241 118.1(6) . . ?
C245 C240 P5 118.5(5) . . ?
C241 C240 P5 122.8(5) . . ?
C242 C241 O30 118.1(6) . . ?
C242 C241 C240 119.1(6) . . ?
O30 C241 C240 122.8(6) . . ?
C241 C242 C243 120.9(6) . . ?
C241 C242 H242 119.5 . . ?
C243 C242 H242 119.5 . . ?
C242 C243 C244 121.7(7) . . ?
C242 C243 H243 119.2 . . ?
C244 C243 H243 119.2 . . ?
C245 C244 C243 117.1(7) . . ?
C245 C244 C460 122.4(7) . . ?
C243 C244 C460 120.4(7) . . ?
C244 C245 C240 123.1(6) . . ?
C244 C245 H245 118.5 . . ?
C240 C245 H245 118.5 . . ?
C251 C250 C255 119.9(6) . . ?
C251 C250 P6 122.5(5) . . ?
C255 C250 P6 117.5(4) . . ?
C252 C251 C250 122.3(7) . . ?
C252 C251 H251 118.8 . . ?
C250 C251 H251 118.8 . . ?
C253 C252 C251 116.9(6) . . ?
C253 C252 C372 123.2(7) . . ?
C251 C252 C372 119.9(7) . . ?
C254 C253 C252 122.0(7) . . ?
C254 C253 H253 119.0 . . ?
C252 C253 H253 119.0 . . ?
C253 C254 C255 121.7(7) . . ?
C253 C254 H254 119.2 . . ?
C255 C254 H254 119.2 . . ?
O21 C255 C254 122.3(6) . . ?
O21 C255 C250 120.7(5) . . ?
C254 C255 C250 117.0(6) . . ?
C261 C260 C265 120.9(6) . . ?
C261 C260 P8 116.9(5) . . ?
C265 C260 P8 122.0(5) . . ?
O9 C261 C260 121.4(5) . . ?
O9 C261 C262 121.1(5) . . ?
C260 C261 C262 117.5(6) . . ?
C263 C262 C261 121.5(6) . . ?
C263 C262 H262 119.2 . . ?
C261 C262 H262 119.2 . . ?
C262 C263 C264 121.9(6) . . ?
C262 C263 H263 119.1 . . ?
C264 C263 H263 119.1 . . ?
C265 C264 C263 117.4(6) . . ?
C265 C264 C320 122.5(6) . . ?
C263 C264 C320 120.1(6) . . ?
C264 C265 C260 120.8(6) . . ?
C264 C265 H265 119.6 . . ?
C260 C265 H265 119.6 . . ?
C271 C270 C275 119.4(6) . . ?
C271 C270 P8 125.1(5) . . ?
C275 C270 P8 115.4(5) . . ?
O24 C271 C270 123.4(6) . . ?
O24 C271 C272 117.7(6) . . ?
C270 C271 C272 118.8(7) . . ?
C273 C272 C271 120.4(7) . . ?
C273 C272 H272 119.8 . . ?
C271 C272 H272 119.8 . . ?
C272 C273 C274 122.3(6) . . ?
C272 C273 H273 118.8 . . ?
C274 C273 H273 118.8 . . ?
C275 C274 C273 116.4(7) . . ?
C275 C274 C276 120.6(8) . . ?
C273 C274 C276 122.9(7) . . ?
C274 C275 C270 122.6(7) . . ?
C274 C275 H275 118.7 . . ?
C270 C275 H275 118.7 . . ?
C469 C276 C371 107.0(13) . . ?
C469 C276 C470 108.7(13) . . ?
C371 C276 C470 107.9(12) . . ?
C469 C276 C274 112.4(8) . . ?
C371 C276 C274 109.9(8) . . ?
C470 C276 C274 110.7(9) . . ?
O17 C300 C305 121.6(6) . . ?
O17 C300 C301 121.7(5) . . ?
C305 C300 C301 116.7(6) . . ?
C302 C301 C300 121.5(6) . . ?
C302 C301 P6 121.4(5) . . ?
C300 C301 P6 116.8(5) . . ?
C303 C302 C301 121.4(6) . . ?
C303 C302 H302 119.3 . . ?
C301 C302 H302 119.3 . . ?
C302 C303 C304 116.9(6) . . ?
C302 C303 C376 122.1(6) . . ?
C304 C303 C376 121.0(6) . . ?
C305 C304 C303 122.3(6) . . ?
C305 C304 H304 118.8 . . ?
C303 C304 H304 118.8 . . ?
C304 C305 C300 121.2(6) . . ?
C304 C305 H305 119.4 . . ?
C300 C305 H305 119.4 . . ?
O16 C306 C311 121.7(5) . . ?
O16 C306 C307 122.1(6) . . ?
C311 C306 C307 116.2(6) . . ?
C308 C307 C306 120.3(6) . . ?
C308 C307 P5 121.6(5) . . ?
C306 C307 P5 118.0(5) . . ?
C1A C308 C307 122.9(6) . . ?
C1A C308 H308 118.5 . . ?
C307 C308 H308 118.5 . . ?
C311 C310 C1A 121.4(6) . . ?
C311 C310 H310 119.3 . . ?
C1A C310 H310 119.3 . . ?
C310 C311 C306 122.2(6) . . ?
C310 C311 H311 118.9 . . ?
C306 C311 H311 118.9 . . ?
C313 C312 C315 112.6(7) . . ?
C313 C312 C1A 112.8(6) . . ?
C315 C312 C1A 112.1(6) . . ?
C313 C312 C314 106.6(7) . . ?
C315 C312 C314 106.1(7) . . ?
C1A C312 C314 105.9(6) . . ?
C312 C313 H31A 109.5 . . ?
C312 C313 H31B 109.5 . . ?
H31A C313 H31B 109.5 . . ?
C312 C313 H31C 109.5 . . ?
H31A C313 H31C 109.5 . . ?
H31B C313 H31C 109.5 . . ?
C312 C314 H31D 109.5 . . ?
C312 C314 H31E 109.5 . . ?
H31D C314 H31E 109.5 . . ?
C312 C314 H31F 109.5 . . ?
H31D C314 H31F 109.5 . . ?
H31E C314 H31F 109.5 . . ?
C312 C315 H31G 109.5 . . ?
C312 C315 H31H 109.5 . . ?
H31G C315 H31H 109.5 . . ?
C312 C315 H31I 109.5 . . ?
H31G C315 H31I 109.5 . . ?
H31H C315 H31I 109.5 . . ?
C319 C316 C317 108.3(7) . . ?
C319 C316 C318 109.8(7) . . ?
C317 C316 C318 108.0(7) . . ?
C319 C316 C233 109.4(7) . . ?
C317 C316 C233 112.0(6) . . ?
C318 C316 C233 109.3(6) . . ?
C316 C317 H31J 109.5 . . ?
C316 C317 H31K 109.5 . . ?
H31J C317 H31K 109.5 . . ?
C316 C317 H31L 109.5 . . ?
H31J C317 H31L 109.5 . . ?
H31K C317 H31L 109.5 . . ?
C316 C318 H31M 109.5 . . ?
C316 C318 H31N 109.5 . . ?
H31M C318 H31N 109.5 . . ?
C316 C318 H31O 109.5 . . ?
H31M C318 H31O 109.5 . . ?
H31N C318 H31O 109.5 . . ?
C316 C319 H31P 109.5 . . ?
C316 C319 H31Q 109.5 . . ?
H31P C319 H31Q 109.5 . . ?
C316 C319 H31R 109.5 . . ?
H31P C319 H31R 109.5 . . ?
H31Q C319 H31R 109.5 . . ?
C323 C320 C321 109.3(8) . . ?
C323 C320 C322 109.5(8) . . ?
C321 C320 C322 107.9(7) . . ?
C323 C320 C264 112.2(6) . . ?
C321 C320 C264 109.4(6) . . ?
C322 C320 C264 108.4(7) . . ?
C320 C321 H32A 109.5 . . ?
C320 C321 H32B 109.5 . . ?
H32A C321 H32B 109.5 . . ?
C320 C321 H32C 109.5 . . ?
H32A C321 H32C 109.5 . . ?
H32B C321 H32C 109.5 . . ?
C320 C322 H32D 109.5 . . ?
C320 C322 H32E 109.5 . . ?
H32D C322 H32E 109.5 . . ?
C320 C322 H32F 109.5 . . ?
H32D C322 H32F 109.5 . . ?
H32E C322 H32F 109.5 . . ?
C320 C323 H32G 109.5 . . ?
C320 C323 H32H 109.5 . . ?
H32G C323 H32H 109.5 . . ?
C320 C323 H32I 109.5 . . ?
H32G C323 H32I 109.5 . . ?
H32H C323 H32I 109.5 . . ?
C326 C324 C325 111.4(10) . . ?
C326 C324 C327 109.9(11) . . ?
C325 C324 C327 105.2(9) . . ?
C326 C324 C222 108.7(8) . . ?
C325 C324 C222 111.7(7) . . ?
C327 C324 C222 109.7(7) . . ?
C324 C325 H32J 109.5 . . ?
C324 C325 H32K 109.5 . . ?
H32J C325 H32K 109.5 . . ?
C324 C325 H32L 109.5 . . ?
H32J C325 H32L 109.5 . . ?
H32K C325 H32L 109.5 . . ?
C324 C326 H32M 109.5 . . ?
C324 C326 H32N 109.5 . . ?
H32M C326 H32N 109.5 . . ?
C324 C326 H32O 109.5 . . ?
H32M C326 H32O 109.5 . . ?
H32N C326 H32O 109.5 . . ?
C324 C327 H32P 109.5 . . ?
C324 C327 H32Q 109.5 . . ?
H32P C327 H32Q 109.5 . . ?
C324 C327 H32R 109.5 . . ?
H32P C327 H32R 109.5 . . ?
H32Q C327 H32R 109.5 . . ?
C333 C328 C329 121.6(6) . . ?
C333 C328 P7 121.9(5) . . ?
C329 C328 P7 116.2(5) . . ?
O32 C329 C330 121.0(6) . . ?
O32 C329 C328 122.0(6) . . ?
C330 C329 C328 116.9(6) . . ?
C331 C330 C329 120.9(7) . . ?
C331 C330 H330 119.5 . . ?
C329 C330 H330 119.5 . . ?
C330 C331 C332 122.3(6) . . ?
C330 C331 H331 118.9 . . ?
C332 C331 H331 118.9 . . ?
C333 C332 C331 117.0(6) . . ?
C333 C332 C334 121.2(7) . . ?
C331 C332 C334 121.8(7) . . ?
C328 C333 C332 121.3(7) . . ?
C328 C333 H333 119.4 . . ?
C332 C333 H333 119.4 . . ?
C466 C334 C465 107.3(13) . . ?
C466 C334 C364 109.4(15) . . ?
C465 C334 C364 106.0(17) . . ?
C466 C334 C332 113.3(8) . . ?
C465 C334 C332 111.5(8) . . ?
C364 C334 C332 108.9(8) . . ?
C362 C360 C461 110.3(8) . . ?
C362 C360 C363 109.2(9) . . ?
C461 C360 C363 107.2(9) . . ?
C362 C360 C213 108.5(7) . . ?
C461 C360 C213 109.6(7) . . ?
C363 C360 C213 111.9(6) . . ?
C462 C460 C361 109.5(11) . . ?
C462 C460 C244 110.3(8) . . ?
C361 C460 C244 112.4(7) . . ?
C462 C460 C463 106.5(10) . . ?
C361 C460 C463 110.8(9) . . ?
C244 C460 C463 107.2(9) . . ?
C460 C361 H36A 109.5 . . ?
C460 C361 H36B 109.5 . . ?
H36A C361 H36B 109.5 . . ?
C460 C361 H36C 109.5 . . ?
H36A C361 H36C 109.5 . . ?
H36B C361 H36C 109.5 . . ?
C360 C461 H46A 109.5 . . ?
C360 C461 H46B 109.5 . . ?
H46A C461 H46B 109.5 . . ?
C360 C461 H46C 109.5 . . ?
H46A C461 H46C 109.5 . . ?
H46B C461 H46C 109.5 . . ?
C360 C362 H36D 109.5 . . ?
C360 C362 H36E 109.5 . . ?
H36D C362 H36E 109.5 . . ?
C360 C362 H36F 109.5 . . ?
H36D C362 H36F 109.5 . . ?
H36E C362 H36F 109.5 . . ?
C460 C462 H46D 109.5 . . ?
C460 C462 H46E 109.5 . . ?
H46D C462 H46E 109.5 . . ?
C460 C462 H46F 109.5 . . ?
H46D C462 H46F 109.5 . . ?
H46E C462 H46F 109.5 . . ?
C360 C363 H36G 109.5 . . ?
C360 C363 H36H 109.5 . . ?
H36G C363 H36H 109.5 . . ?
C360 C363 H36I 109.5 . . ?
H36G C363 H36I 109.5 . . ?
H36H C363 H36I 109.5 . . ?
C460 C463 H46G 109.5 . . ?
C460 C463 H46H 109.5 . . ?
H46G C463 H46H 109.5 . . ?
C460 C463 H46I 109.5 . . ?
H46G C463 H46I 109.5 . . ?
H46H C463 H46I 109.5 . . ?
C334 C364 H36J 109.5 . . ?
C334 C364 H36K 109.5 . . ?
H36J C364 H36K 109.5 . . ?
C334 C364 H36L 109.5 . . ?
H36J C364 H36L 109.5 . . ?
H36K C364 H36L 109.5 . . ?
C467 C464 C365 108.3(6) . . ?
C467 C464 C202 112.5(7) . . ?
C365 C464 C202 110.6(6) . . ?
C467 C464 C366 109.1(7) . . ?
C365 C464 C366 108.0(7) . . ?
C202 C464 C366 108.2(6) . . ?
C464 C365 H36M 109.5 . . ?
C464 C365 H36N 109.5 . . ?
H36M C365 H36N 109.5 . . ?
C464 C365 H36O 109.5 . . ?
H36M C365 H36O 109.5 . . ?
H36N C365 H36O 109.5 . . ?
C334 C465 H46J 109.5 . . ?
C334 C465 H46K 109.5 . . ?
H46J C465 H46K 109.5 . . ?
C334 C465 H46L 109.5 . . ?
H46J C465 H46L 109.5 . . ?
H46K C465 H46L 109.5 . . ?
C464 C366 H36P 109.5 . . ?
C464 C366 H36Q 109.5 . . ?
H36P C366 H36Q 109.5 . . ?
C464 C366 H36R 109.5 . . ?
H36P C366 H36R 109.5 . . ?
H36Q C366 H36R 109.5 . . ?
C334 C466 H46M 109.5 . . ?
C334 C466 H46N 109.5 . . ?
H46M C466 H46N 109.5 . . ?
C334 C466 H46O 109.5 . . ?
H46M C466 H46O 109.5 . . ?
H46N C466 H46O 109.5 . . ?
C368 C367 H36S 109.5 . . ?
C368 C367 H36T 109.5 . . ?
H36S C367 H36T 109.5 . . ?
C368 C367 H36U 109.5 . . ?
H36S C367 H36U 109.5 . . ?
H36T C367 H36U 109.5 . . ?
C464 C467 H46P 109.5 . . ?
C464 C467 H46Q 109.5 . . ?
H46P C467 H46Q 109.5 . . ?
C464 C467 H46R 109.5 . . ?
H46P C467 H46R 109.5 . . ?
H46Q C467 H46R 109.5 . . ?
O7 C368 C367 111.7(6) . . ?
O7 C368 H36V 109.3 . . ?
C367 C368 H36V 109.3 . . ?
O7 C368 H36W 109.3 . . ?
C367 C368 H36W 109.3 . . ?
H36V C368 H36W 107.9 . . ?
C373 C468 C369 120.0(6) . . ?
C373 C468 P7 123.0(5) . . ?
C369 C468 P7 116.9(5) . . ?
O3 C369 C370 121.8(6) . . ?
O3 C369 C468 120.5(6) . . ?
C370 C369 C468 117.6(6) . . ?
C276 C469 H46S 109.5 . . ?
C276 C469 H46T 109.5 . . ?
H46S C469 H46T 109.5 . . ?
C276 C469 H46U 109.5 . . ?
H46S C469 H46U 109.5 . . ?
H46T C469 H46U 109.5 . . ?
C471 C370 C369 120.9(7) . . ?
C471 C370 H370 119.6 . . ?
C369 C370 H370 119.6 . . ?
C276 C470 H47A 109.5 . . ?
C276 C470 H47B 109.5 . . ?
H47A C470 H47B 109.5 . . ?
C276 C470 H47C 109.5 . . ?
H47A C470 H47C 109.5 . . ?
H47B C470 H47C 109.5 . . ?
C276 C371 H37A 109.5 . . ?
C276 C371 H37B 109.5 . . ?
H37A C371 H37B 109.5 . . ?
C276 C371 H37C 109.5 . . ?
H37A C371 H37C 109.5 . . ?
H37B C371 H37C 109.5 . . ?
C472 C471 C370 122.2(7) . . ?
C472 C471 H471 118.9 . . ?
C370 C471 H471 118.9 . . ?
C374 C372 C473 109.1(7) . . ?
C374 C372 C252 112.8(8) . . ?
C473 C372 C252 110.0(7) . . ?
C374 C372 C375 108.2(9) . . ?
C473 C372 C375 109.6(10) . . ?
C252 C372 C375 107.1(7) . . ?
C373 C472 C471 117.3(6) . . ?
C373 C472 C600 121.8(6) . . ?
C471 C472 C600 120.9(7) . . ?
C472 C373 C468 122.0(6) . . ?
C472 C373 H373 119.0 . . ?
C468 C373 H373 119.0 . . ?
C372 C473 H47D 109.5 . . ?
C372 C473 H47E 109.5 . . ?
H47D C473 H47E 109.5 . . ?
C372 C473 H47F 109.5 . . ?
H47D C473 H47F 109.5 . . ?
H47E C473 H47F 109.5 . . ?
C372 C374 H37D 109.5 . . ?
C372 C374 H37E 109.5 . . ?
H37D C374 H37E 109.5 . . ?
C372 C374 H37F 109.5 . . ?
H37D C374 H37F 109.5 . . ?
H37E C374 H37F 109.5 . . ?
C372 C375 H37G 109.5 . . ?
C372 C375 H37H 109.5 . . ?
H37G C375 H37H 109.5 . . ?
C372 C375 H37I 109.5 . . ?
H37G C375 H37I 109.5 . . ?
H37H C375 H37I 109.5 . . ?
C377 C376 C379 110.7(12) . . ?
C377 C376 C378 109.1(9) . . ?
C379 C376 C378 107.4(10) . . ?
C377 C376 C303 107.9(8) . . ?
C379 C376 C303 109.7(7) . . ?
C378 C376 C303 112.0(6) . . ?
C376 C377 H37J 109.5 . . ?
C376 C377 H37K 109.5 . . ?
H37J C377 H37K 109.5 . . ?
C376 C377 H37L 109.5 . . ?
H37J C377 H37L 109.5 . . ?
H37K C377 H37L 109.5 . . ?
C376 C378 H37M 109.5 . . ?
C376 C378 H37N 109.5 . . ?
H37M C378 H37N 109.5 . . ?
C376 C378 H37O 109.5 . . ?
H37M C378 H37O 109.5 . . ?
H37N C378 H37O 109.5 . . ?
C376 C379 H37P 109.5 . . ?
C376 C379 H37Q 109.5 . . ?
H37P C379 H37Q 109.5 . . ?
C376 C379 H37R 109.5 . . ?
H37P C379 H37R 109.5 . . ?
H37Q C379 H37R 109.5 . . ?
P7 O1 Tb3 124.4(2) . . ?
P7 O1 Tb1 120.9(2) . . ?
Tb3 O1 Tb1 90.35(12) . . ?
C1U O2 Tb1 145.9(7) . . ?
C1U O2 H2 107.0 . . ?
Tb1 O2 H2 107.0 . . ?
C369 O3 Tb1 128.9(4) . . ?
P5 O4 Tb1 125.1(2) . . ?
P5 O4 Tb4 121.7(2) . . ?
Tb1 O4 Tb4 90.91(12) . . ?
C230 O5 Tb4 132.5(3) . . ?
P8 O6 Tb4 125.4(2) . . ?
P8 O6 Tb2 119.1(2) . . ?
Tb4 O6 Tb2 89.95(12) . . ?
C368 O7 Tb4 136.7(4) . . ?
C368 O7 H7 111.6 . . ?
Tb4 O7 H7 111.6 . . ?
C205 O8 Tb4 131.0(4) . . ?
C261 O9 Tb2 130.5(4) . . ?
P6 O10 Tb2 124.4(2) . . ?
P6 O10 Tb3 121.8(2) . . ?
Tb2 O10 Tb3 90.80(13) . . ?
Tb2 O11 Tb4 101.93(15) . . ?
Tb2 O11 Tb1 113.73(15) . . ?
Tb4 O11 Tb1 98.76(14) . . ?
Tb2 O11 H11 113.6 . . ?
Tb4 O11 H11 113.6 . . ?
Tb1 O11 H11 113.6 . . ?
Tb4 O12 Tb1 99.70(14) . . ?
Tb4 O12 Tb3 114.83(16) . . ?
Tb1 O12 Tb3 98.69(13) . . ?
Tb4 O12 H12 113.9 . . ?
Tb1 O12 H12 113.9 . . ?
Tb3 O12 H12 113.9 . . ?
Tb1 O13 Tb3 101.29(14) . . ?
Tb1 O13 Tb2 114.24(15) . . ?
Tb3 O13 Tb2 98.01(14) . . ?
Tb1 O13 H13 113.8 . . ?
Tb3 O13 H13 113.8 . . ?
Tb2 O13 H13 113.8 . . ?
Tb3 O14 Tb2 99.90(14) . . ?
Tb3 O14 Tb4 114.43(16) . . ?
Tb2 O14 Tb4 99.31(14) . . ?
Tb3 O14 H14 113.8 . . ?
Tb2 O14 H14 113.8 . . ?
Tb4 O14 H14 113.8 . . ?
C700 O15 Tb3 136.5(4) . . ?
C700 O15 H15 111.8 . . ?
Tb3 O15 H15 111.8 . . ?
C306 O16 Tb1 130.1(4) . . ?
C300 O17 Tb2 131.5(4) . . ?
C225 O20 H20 109.5 . . ?
C255 O21 Tb3 131.1(4) . . ?
C271 O24 H24 109.5 . . ?
C241 O30 H30 109.5 . . ?
C210 O31 H31 109.5 . . ?
O4 P5 C307 111.7(3) . . ?
O4 P5 C200 110.0(3) . . ?
C307 P5 C200 107.0(3) . . ?
O4 P5 C240 114.7(3) . . ?
C307 P5 C240 105.8(3) . . ?
C200 P5 C240 107.2(3) . . ?
O10 P6 C250 111.4(2) . . ?
O10 P6 C301 112.2(2) . . ?
C250 P6 C301 106.4(3) . . ?
O10 P6 C220 113.2(3) . . ?
C250 P6 C220 107.9(3) . . ?
C301 P6 C220 105.3(3) . . ?
O1 P7 C468 111.0(3) . . ?
O1 P7 C328 113.0(3) . . ?
C468 P7 C328 107.7(3) . . ?
O1 P7 C211 113.5(3) . . ?
C468 P7 C211 106.6(3) . . ?
C328 P7 C211 104.5(3) . . ?
O6 P8 C260 112.1(3) . . ?
O6 P8 C235 112.8(3) . . ?
C260 P8 C235 106.1(3) . . ?
O6 P8 C270 113.0(3) . . ?
C260 P8 C270 108.0(3) . . ?
C235 P8 C270 104.3(3) . . ?
O3 Tb1 O16 101.42(15) . . ?
O3 Tb1 O13 138.30(13) . . ?
O16 Tb1 O13 116.04(14) . . ?
O3 Tb1 O2 87.68(16) . . ?
O16 Tb1 O2 77.76(15) . . ?
O13 Tb1 O2 83.24(15) . . ?
O3 Tb1 O12 86.97(15) . . ?
O16 Tb1 O12 140.68(13) . . ?
O13 Tb1 O12 75.79(13) . . ?
O2 Tb1 O12 141.40(14) . . ?
O3 Tb1 O11 144.70(13) . . ?
O16 Tb1 O11 77.25(14) . . ?
O13 Tb1 O11 66.01(13) . . ?
O2 Tb1 O11 125.38(15) . . ?
O12 Tb1 O11 74.38(13) . . ?
O3 Tb1 O4 75.61(14) . . ?
O16 Tb1 O4 77.59(14) . . ?
O13 Tb1 O4 128.07(14) . . ?
O2 Tb1 O4 146.64(15) . . ?
O12 Tb1 O4 67.35(13) . . ?
O11 Tb1 O4 69.63(13) . . ?
O3 Tb1 O1 73.63(13) . . ?
O16 Tb1 O1 153.61(13) . . ?
O13 Tb1 O1 64.68(12) . . ?
O2 Tb1 O1 76.17(14) . . ?
O12 Tb1 O1 65.65(12) . . ?
O11 Tb1 O1 121.99(13) . . ?
O4 Tb1 O1 124.21(13) . . ?
O3 Tb1 Tb4 108.74(11) . . ?
O16 Tb1 Tb4 102.50(10) . . ?
O13 Tb1 Tb4 81.42(9) . . ?
O2 Tb1 Tb4 162.98(12) . . ?
O12 Tb1 Tb4 39.64(9) . . ?
O11 Tb1 Tb4 40.20(9) . . ?
O4 Tb1 Tb4 46.91(10) . . ?
O1 Tb1 Tb4 103.60(9) . . ?
O3 Tb1 Tb3 105.55(11) . . ?
O16 Tb1 Tb3 152.95(11) . . ?
O13 Tb1 Tb3 39.95(9) . . ?
O2 Tb1 Tb3 105.11(12) . . ?
O12 Tb1 Tb3 40.79(9) . . ?
O11 Tb1 Tb3 79.60(9) . . ?
O4 Tb1 Tb3 107.09(10) . . ?
O1 Tb1 Tb3 42.72(8) . . ?
Tb4 Tb1 Tb3 66.892(10) . . ?
O3 Tb1 Tb2 159.50(11) . . ?
O16 Tb1 Tb2 96.63(11) . . ?
O13 Tb1 Tb2 33.46(9) . . ?
O2 Tb1 Tb2 105.72(12) . . ?
O12 Tb1 Tb2 72.85(9) . . ?
O11 Tb1 Tb2 32.56(9) . . ?
O4 Tb1 Tb2 99.13(10) . . ?
O1 Tb1 Tb2 94.23(8) . . ?
Tb4 Tb1 Tb2 57.253(9) . . ?
Tb3 Tb1 Tb2 56.466(9) . . ?
O9 Tb2 O17 98.06(15) . . ?
O9 Tb2 O11 137.81(13) . . ?
O17 Tb2 O11 119.57(14) . . ?
O9 Tb2 O14 87.35(14) . . ?
O17 Tb2 O14 141.34(13) . . ?
O11 Tb2 O14 75.27(13) . . ?
O9 Tb2 O18 87.56(16) . . ?
O17 Tb2 O18 78.18(15) . . ?
O11 Tb2 O18 82.63(15) . . ?
O14 Tb2 O18 140.45(14) . . ?
O9 Tb2 O13 145.74(13) . . ?
O17 Tb2 O13 79.49(14) . . ?
O11 Tb2 O13 65.99(13) . . ?
O14 Tb2 O13 75.13(13) . . ?
O18 Tb2 O13 124.50(15) . . ?
O9 Tb2 O10 77.44(14) . . ?
O17 Tb2 O10 76.49(14) . . ?
O11 Tb2 O10 126.81(14) . . ?
O14 Tb2 O10 67.37(12) . . ?
O18 Tb2 O10 148.26(14) . . ?
O13 Tb2 O10 68.72(13) . . ?
O9 Tb2 O6 74.39(13) . . ?
O17 Tb2 O6 152.06(14) . . ?
O11 Tb2 O6 63.43(13) . . ?
O14 Tb2 O6 66.17(12) . . ?
O18 Tb2 O6 74.69(14) . . ?
O13 Tb2 O6 121.90(12) . . ?
O10 Tb2 O6 125.95(13) . . ?
O9 Tb2 Tb3 109.34(10) . . ?
O17 Tb2 Tb3 103.82(10) . . ?
O11 Tb2 Tb3 81.14(10) . . ?
O14 Tb2 Tb3 39.79(9) . . ?
O18 Tb2 Tb3 162.27(12) . . ?
O13 Tb2 Tb3 40.84(9) . . ?
O10 Tb2 Tb3 46.00(9) . . ?
O6 Tb2 Tb3 104.05(9) . . ?
O9 Tb2 Tb4 105.74(10) . . ?
O17 Tb2 Tb4 156.14(11) . . ?
O11 Tb2 Tb4 39.35(9) . . ?
O14 Tb2 Tb4 40.78(9) . . ?
O18 Tb2 Tb4 104.09(11) . . ?
O13 Tb2 Tb4 79.91(9) . . ?
O10 Tb2 Tb4 106.83(9) . . ?
O6 Tb2 Tb4 42.57(8) . . ?
Tb3 Tb2 Tb4 66.922(9) . . ?
O9 Tb2 Tb1 159.99(11) . . ?
O17 Tb2 Tb1 99.68(11) . . ?
O11 Tb2 Tb1 33.71(9) . . ?
O14 Tb2 Tb1 73.00(10) . . ?
O18 Tb2 Tb1 105.07(12) . . ?
O13 Tb2 Tb1 32.29(9) . . ?
O10 Tb2 Tb1 97.79(10) . . ?
O6 Tb2 Tb1 93.73(8) . . ?
Tb3 Tb2 Tb1 57.206(9) . . ?
Tb4 Tb2 Tb1 56.586(9) . . ?
O32 Tb3 O21 94.16(15) . . ?
O32 Tb3 O14 119.93(14) . . ?
O21 Tb3 O14 140.56(14) . . ?
O32 Tb3 O13 141.40(14) . . ?
O21 Tb3 O13 89.89(14) . . ?
O14 Tb3 O13 75.88(13) . . ?
O32 Tb3 O12 81.10(14) . . ?
O21 Tb3 O12 145.80(14) . . ?
O14 Tb3 O12 65.41(13) . . ?
O13 Tb3 O12 74.44(13) . . ?
O32 Tb3 O15 76.29(15) . . ?
O21 Tb3 O15 87.73(15) . . ?
O14 Tb3 O15 82.37(14) . . ?
O13 Tb3 O15 142.29(14) . . ?
O12 Tb3 O15 123.18(14) . . ?
O32 Tb3 O1 76.48(15) . . ?
O21 Tb3 O1 77.35(14) . . ?
O14 Tb3 O1 126.68(13) . . ?
O13 Tb3 O1 67.02(13) . . ?
O12 Tb3 O1 68.58(12) . . ?
O15 Tb3 O1 147.76(14) . . ?
O32 Tb3 O10 150.74(14) . . ?
O21 Tb3 O10 74.93(13) . . ?
O14 Tb3 O10 65.64(12) . . ?
O13 Tb3 O10 66.85(13) . . ?
O12 Tb3 O10 122.96(13) . . ?
O15 Tb3 O10 76.22(14) . . ?
O1 Tb3 O10 125.38(13) . . ?
O32 Tb3 Tb2 157.96(11) . . ?
O21 Tb3 Tb2 107.87(10) . . ?
O14 Tb3 Tb2 40.31(9) . . ?
O13 Tb3 Tb2 41.15(9) . . ?
O12 Tb3 Tb2 80.18(9) . . ?
O15 Tb3 Tb2 104.69(11) . . ?
O1 Tb3 Tb2 107.04(9) . . ?
O10 Tb3 Tb2 43.21(8) . . ?
O32 Tb3 Tb1 105.48(11) . . ?
O21 Tb3 Tb1 111.08(11) . . ?
O14 Tb3 Tb1 80.22(9) . . ?
O13 Tb3 Tb1 38.75(9) . . ?
O12 Tb3 Tb1 40.51(9) . . ?
O15 Tb3 Tb1 160.70(11) . . ?
O1 Tb3 Tb1 46.93(9) . . ?
O10 Tb3 Tb1 103.77(9) . . ?
Tb2 Tb3 Tb1 66.328(10) . . ?
O32 Tb3 Tb4 101.16(10) . . ?
O21 Tb3 Tb4 162.30(10) . . ?
O14 Tb3 Tb4 33.32(9) . . ?
O13 Tb3 Tb4 72.60(9) . . ?
O12 Tb3 Tb4 32.10(9) . . ?
O15 Tb3 Tb4 104.40(11) . . ?
O1 Tb3 Tb4 97.53(8) . . ?
O10 Tb3 Tb4 95.18(8) . . ?
Tb2 Tb3 Tb4 56.983(8) . . ?
Tb1 Tb3 Tb4 56.304(9) . . ?
O5 Tb4 O8 96.38(15) . . ?
O5 Tb4 O12 118.46(14) . . ?
O8 Tb4 O12 138.35(14) . . ?
O5 Tb4 O11 139.94(14) . . ?
O8 Tb4 O11 92.13(14) . . ?
O12 Tb4 O11 76.07(13) . . ?
O5 Tb4 O7 77.03(15) . . ?
O8 Tb4 O7 83.54(15) . . ?
O12 Tb4 O7 82.98(14) . . ?
O11 Tb4 O7 142.96(14) . . ?
O5 Tb4 O14 79.33(14) . . ?
O8 Tb4 O14 149.54(14) . . ?
O12 Tb4 O14 65.32(13) . . ?
O11 Tb4 O14 73.88(13) . . ?
O7 Tb4 O14 123.83(14) . . ?
O5 Tb4 O6 76.29(14) . . ?
O8 Tb4 O6 80.40(14) . . ?
O12 Tb4 O6 127.26(13) . . ?
O11 Tb4 O6 66.67(13) . . ?
O7 Tb4 O6 146.94(14) . . ?
O14 Tb4 O6 69.26(13) . . ?
O5 Tb4 O4 153.03(13) . . ?
O8 Tb4 O4 74.06(13) . . ?
O12 Tb4 O4 64.54(13) . . ?
O11 Tb4 O4 66.64(13) . . ?
O7 Tb4 O4 76.86(14) . . ?
O14 Tb4 O4 121.53(12) . . ?
O6 Tb4 O4 125.07(13) . . ?
O5 Tb4 Tb1 156.18(11) . . ?
O8 Tb4 Tb1 107.43(10) . . ?
O12 Tb4 Tb1 40.66(9) . . ?
O11 Tb4 Tb1 41.04(10) . . ?
O7 Tb4 Tb1 105.54(10) . . ?
O14 Tb4 Tb1 79.86(9) . . ?
O6 Tb4 Tb1 106.78(9) . . ?
O4 Tb4 Tb1 42.18(8) . . ?
O5 Tb4 Tb2 103.67(10) . . ?
O8 Tb4 Tb2 114.92(10) . . ?
O12 Tb4 Tb2 80.12(9) . . ?
O11 Tb4 Tb2 38.72(9) . . ?
O7 Tb4 Tb2 161.05(10) . . ?
O14 Tb4 Tb2 39.90(9) . . ?
O6 Tb4 Tb2 47.48(9) . . ?
O4 Tb4 Tb2 103.21(8) . . ?
Tb1 Tb4 Tb2 66.161(10) . . ?
O5 Tb4 Tb3 99.45(11) . . ?
O8 Tb4 Tb3 163.35(11) . . ?
O12 Tb4 Tb3 33.08(9) . . ?
O11 Tb4 Tb3 72.39(9) . . ?
O7 Tb4 Tb3 104.97(10) . . ?
O14 Tb4 Tb3 32.25(9) . . ?
O6 Tb4 Tb3 98.36(9) . . ?
O4 Tb4 Tb3 93.69(8) . . ?
Tb1 Tb4 Tb3 56.805(9) . . ?
Tb2 Tb4 Tb3 56.095(8) . . ?
C329 O32 Tb3 130.8(4) . . ?
O15 C700 C701 112.7(7) . . ?
O15 C700 H70A 109.1 . . ?
C701 C700 H70A 109.1 . . ?
O15 C700 H70B 109.1 . . ?
C701 C700 H70B 109.1 . . ?
H70A C700 H70B 107.8 . . ?
C700 C701 H70C 109.5 . . ?
C700 C701 H70D 109.5 . . ?
H70C C701 H70D 109.5 . . ?
C700 C701 H70E 109.5 . . ?
H70C C701 H70E 109.5 . . ?
H70D C701 H70E 109.5 . . ?
C308 C1A C310 116.8(6) . . ?
C308 C1A C312 120.3(6) . . ?
C310 C1A C312 122.8(6) . . ?
C603 C600 C472 111.9(9) . . ?
C604 C600 C472 112.8(10) . . ?
C603 C600 C602 110.0(8) . . ?
C472 C600 C602 106.8(7) . . ?
C603 C600 C601 110.3(7) . . ?
C472 C600 C601 112.6(7) . . ?
C602 C600 C601 105.0(7) . . ?
C604 C600 C606 109.2(8) . . ?
C472 C600 C606 108.6(9) . . ?
C604 C600 C605 108.8(8) . . ?
C472 C600 C605 112.7(8) . . ?
C606 C600 C605 104.4(7) . . ?
C600 C601 H60A 109.5 . . ?
C600 C601 H60B 109.5 . . ?
H60A C601 H60B 109.5 . . ?
C600 C601 H60C 109.5 . . ?
H60A C601 H60C 109.5 . . ?
H60B C601 H60C 109.5 . . ?
C600 C602 H60D 109.5 . . ?
C600 C602 H60E 109.5 . . ?
H60D C602 H60E 109.5 . . ?
C600 C602 H60F 109.5 . . ?
H60D C602 H60F 109.5 . . ?
H60E C602 H60F 109.5 . . ?
C600 C603 H60G 109.5 . . ?
C600 C603 H60H 109.5 . . ?
H60G C603 H60H 109.5 . . ?
C600 C603 H60I 109.5 . . ?
H60G C603 H60I 109.5 . . ?
H60H C603 H60I 109.5 . . ?
C600 C605 H60J 109.5 . . ?
C600 C605 H60K 109.5 . . ?
H60J C605 H60K 109.5 . . ?
C600 C605 H60L 109.5 . . ?
H60J C605 H60L 109.5 . . ?
H60K C605 H60L 109.5 . . ?
C600 C606 H60M 109.5 . . ?
C600 C606 H60N 109.5 . . ?
H60M C606 H60N 109.5 . . ?
C600 C606 H60O 109.5 . . ?
H60M C606 H60O 109.5 . . ?
H60N C606 H60O 109.5 . . ?
C600 C604 H60P 109.5 . . ?
C600 C604 H60Q 109.5 . . ?
H60P C604 H60Q 109.5 . . ?
C600 C604 H60R 109.5 . . ?
H60P C604 H60R 109.5 . . ?
H60Q C604 H60R 109.5 . . ?
C1P O1P H1P 109.5 . . ?
C10U O9U H9U 109.5 . . ?
C1U C2U H2U1 109.5 . . ?
C1U C2U H2U2 109.5 . . ?
H2U1 C2U H2U2 109.5 . . ?
C1U C2U H2U3 109.5 . . ?
H2U1 C2U H2U3 109.5 . . ?
H2U2 C2U H2U3 109.5 . . ?
O1P C1P C2P 106.2(10) . . ?
O1P C1P H1P1 110.5 . . ?
C2P C1P H1P1 110.5 . . ?
O1P C1P H1P2 110.5 . . ?
C2P C1P H1P2 110.5 . . ?
H1P1 C1P H1P2 108.7 . . ?
C11U C10U O9U 112.5(13) . . ?
C11U C10U H10A 109.1 . . ?
O9U C10U H10A 109.1 . . ?
C11U C10U H10B 109.1 . . ?
O9U C10U H10B 109.1 . . ?
H10A C10U H10B 107.8 . . ?
C10U C11U H11A 109.5 . . ?
C10U C11U H11B 109.5 . . ?
H11A C11U H11B 109.5 . . ?
C10U C11U H11C 109.5 . . ?
H11A C11U H11C 109.5 . . ?
H11B C11U H11C 109.5 . . ?
O2 C1U C2U 143.8(13) . . ?
O2 C1U H1U1 101.0 . . ?
C2U C1U H1U1 101.0 . . ?
O2 C1U H1U2 101.0 . . ?
C2U C1U H1U2 101.0 . . ?
H1U1 C1U H1U2 104.4 . . ?
C1P C2P H2P1 109.5 . . ?
C1P C2P H2P2 109.5 . . ?
H2P1 C2P H2P2 109.5 . . ?
C1P C2P H2P3 109.5 . . ?
H2P1 C2P H2P3 109.5 . . ?
H2P2 C2P H2P3 109.5 . . ?
C1I O1I H1I 109.5 . . ?
O1I C1I C2I 112.4(6) . . ?
O1I C1I H1I1 109.1 . . ?
C2I C1I H1I1 109.1 . . ?
O1I C1I H1I2 109.1 . . ?
C2I C1I H1I2 109.1 . . ?
H1I1 C1I H1I2 107.9 . . ?
C1I C2I H2I1 109.5 . . ?
C1I C2I H2I2 109.5 . . ?
H2I1 C2I H2I2 109.5 . . ?
C1I C2I H2I3 109.5 . . ?
H2I1 C2I H2I3 109.5 . . ?
H2I2 C2I H2I3 109.5 . . ?
C380 O18 Tb2 136.4(13) . . ?
C380 O18 H18A 103.1 . . ?
Tb2 O18 H18A 103.1 . . ?
C380 O18 H18B 103.1 . . ?
Tb2 O18 H18B 103.1 . . ?
H18A O18 H18B 105.1 . . ?
O18 C380 C381 113(2) . . ?
O18 C380 H38A 109.0 . . ?
C381 C380 H38A 109.0 . . ?
O18 C380 H38B 109.0 . . ?
C381 C380 H38B 109.0 . . ?
H38A C380 H38B 107.8 . . ?
C380 C381 H38C 109.5 . . ?
C380 C381 H38D 109.5 . . ?
H38C C381 H38D 109.5 . . ?
C380 C381 H38E 109.5 . . ?
H38C C381 H38E 109.5 . . ?
H38D C381 H38E 109.5 . . ?
C383 O382 H382 109.5 . . ?
O382 C383 C384 108.1(7) . . ?
O382 C383 H38F 110.1 . . ?
C384 C383 H38F 110.1 . . ?
O382 C383 H38G 110.1 . . ?
C384 C383 H38G 110.1 . . ?
H38F C383 H38G 108.4 . . ?
C383 C384 H38H 109.5 . . ?
C383 C384 H38I 109.5 . . ?
H38H C384 H38I 109.5 . . ?
C383 C384 H38J 109.5 . . ?
H38H C384 H38J 109.5 . . ?
H38I C384 H38J 109.5 . . ?
C401 O400 H400 109.5 . . ?
O400 C401 C402 110.8(7) . . ?
O400 C401 H40A 109.5 . . ?
C402 C401 H40A 109.5 . . ?
O400 C401 H40B 109.5 . . ?
C402 C401 H40B 109.5 . . ?
H40A C401 H40B 108.1 . . ?
C401 C402 H40C 109.5 . . ?
C401 C402 H40D 109.5 . . ?
H40C C402 H40D 109.5 . . ?
C401 C402 H40E 109.5 . . ?
H40C C402 H40E 109.5 . . ?
H40D C402 H40E 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
C205 C200 C201 C202 0.4(9) . . . . ?
P5 C200 C201 C202 -177.6(5) . . . . ?
C200 C201 C202 C203 4.4(9) . . . . ?
C200 C201 C202 C464 -174.0(6) . . . . ?
C201 C202 C203 C204 -4.8(10) . . . . ?
C464 C202 C203 C204 173.5(7) . . . . ?
C202 C203 C204 C205 0.3(11) . . . . ?
C203 C204 C205 O8 -176.8(6) . . . . ?
C203 C204 C205 C200 4.6(9) . . . . ?
C201 C200 C205 O8 176.4(5) . . . . ?
P5 C200 C205 O8 -5.5(8) . . . . ?
C201 C200 C205 C204 -5.0(9) . . . . ?
P5 C200 C205 C204 173.0(5) . . . . ?
O31 C210 C211 C212 179.1(6) . . . . ?
C215 C210 C211 C212 1.2(10) . . . . ?
O31 C210 C211 P7 4.8(10) . . . . ?
C215 C210 C211 P7 -173.1(6) . . . . ?
C210 C211 C212 C213 -1.0(11) . . . . ?
P7 C211 C212 C213 173.8(6) . . . . ?
C211 C212 C213 C214 0.2(11) . . . . ?
C211 C212 C213 C360 -178.2(7) . . . . ?
C212 C213 C214 C215 0.5(12) . . . . ?
C360 C213 C214 C215 178.9(7) . . . . ?
C213 C214 C215 C210 -0.2(12) . . . . ?
O31 C210 C215 C214 -178.6(7) . . . . ?
C211 C210 C215 C214 -0.6(11) . . . . ?
C225 C220 C221 C222 0.5(10) . . . . ?
P6 C220 C221 C222 -174.2(5) . . . . ?
C220 C221 C222 C223 0.1(11) . . . . ?
C220 C221 C222 C324 179.4(7) . . . . ?
C221 C222 C223 C224 -0.4(12) . . . . ?
C324 C222 C223 C224 -179.7(8) . . . . ?
C222 C223 C224 C225 0.1(12) . . . . ?
C223 C224 C225 O20 179.8(7) . . . . ?
C223 C224 C225 C220 0.5(11) . . . . ?
C221 C220 C225 O20 180.0(6) . . . . ?
P6 C220 C225 O20 -5.7(9) . . . . ?
C221 C220 C225 C224 -0.8(10) . . . . ?
P6 C220 C225 C224 173.5(5) . . . . ?
O5 C230 C231 C232 -179.4(6) . . . . ?
C235 C230 C231 C232 1.1(9) . . . . ?
C230 C231 C232 C233 -1.5(10) . . . . ?
C231 C232 C233 C234 0.7(10) . . . . ?
C231 C232 C233 C316 179.9(7) . . . . ?
C232 C233 C234 C235 0.5(10) . . . . ?
C316 C233 C234 C235 -178.7(6) . . . . ?
C233 C234 C235 C230 -0.9(10) . . . . ?
C233 C234 C235 P8 173.5(5) . . . . ?
O5 C230 C235 C234 -179.4(6) . . . . ?
C231 C230 C235 C234 0.1(9) . . . . ?
O5 C230 C235 P8 5.9(8) . . . . ?
C231 C230 C235 P8 -174.6(4) . . . . ?
C245 C240 C241 C242 -1.2(9) . . . . ?
P5 C240 C241 C242 169.9(5) . . . . ?
C245 C240 C241 O30 -178.9(5) . . . . ?
P5 C240 C241 O30 -7.8(8) . . . . ?
O30 C241 C242 C243 177.3(6) . . . . ?
C240 C241 C242 C243 -0.4(10) . . . . ?
C241 C242 C243 C244 2.1(11) . . . . ?
C242 C243 C244 C245 -1.9(11) . . . . ?
C242 C243 C244 C460 -178.3(8) . . . . ?
C243 C244 C245 C240 0.2(11) . . . . ?
C460 C244 C245 C240 176.5(8) . . . . ?
C241 C240 C245 C244 1.3(10) . . . . ?
P5 C240 C245 C244 -170.2(6) . . . . ?
C255 C250 C251 C252 0.1(9) . . . . ?
P6 C250 C251 C252 -175.6(5) . . . . ?
C250 C251 C252 C253 3.1(9) . . . . ?
C250 C251 C252 C372 -175.6(6) . . . . ?
C251 C252 C253 C254 -3.8(10) . . . . ?
C372 C252 C253 C254 174.9(7) . . . . ?
C252 C253 C254 C255 1.2(11) . . . . ?
C253 C254 C255 O21 -180.0(6) . . . . ?
C253 C254 C255 C250 2.1(10) . . . . ?
C251 C250 C255 O21 179.3(5) . . . . ?
P6 C250 C255 O21 -4.8(7) . . . . ?
C251 C250 C255 C254 -2.7(8) . . . . ?
P6 C250 C255 C254 173.2(5) . . . . ?
C265 C260 C261 O9 -179.1(6) . . . . ?
P8 C260 C261 O9 5.5(8) . . . . ?
C265 C260 C261 C262 2.6(9) . . . . ?
P8 C260 C261 C262 -172.8(5) . . . . ?
O9 C261 C262 C263 179.8(6) . . . . ?
C260 C261 C262 C263 -1.9(10) . . . . ?
C261 C262 C263 C264 -0.3(11) . . . . ?
C262 C263 C264 C265 1.8(11) . . . . ?
C262 C263 C264 C320 -179.4(7) . . . . ?
C263 C264 C265 C260 -1.1(10) . . . . ?
C320 C264 C265 C260 -179.8(6) . . . . ?
C261 C260 C265 C264 -1.1(10) . . . . ?
P8 C260 C265 C264 174.1(5) . . . . ?
C275 C270 C271 O24 176.0(6) . . . . ?
P8 C270 C271 O24 -0.7(9) . . . . ?
C275 C270 C271 C272 -1.6(9) . . . . ?
P8 C270 C271 C272 -178.3(5) . . . . ?
O24 C271 C272 C273 -176.1(6) . . . . ?
C270 C271 C272 C273 1.6(10) . . . . ?
C271 C272 C273 C274 -0.7(12) . . . . ?
C272 C273 C274 C275 -0.3(11) . . . . ?
C272 C273 C274 C276 176.7(7) . . . . ?
C273 C274 C275 C270 0.3(11) . . . . ?
C276 C274 C275 C270 -176.8(7) . . . . ?
C271 C270 C275 C274 0.7(10) . . . . ?
P8 C270 C275 C274 177.6(6) . . . . ?
C275 C274 C276 C469 -35.0(14) . . . . ?
C273 C274 C276 C469 148.2(13) . . . . ?
C275 C274 C276 C371 84.1(11) . . . . ?
C273 C274 C276 C371 -92.8(11) . . . . ?
C275 C274 C276 C470 -156.8(13) . . . . ?
C273 C274 C276 C470 26.4(15) . . . . ?
O17 C300 C301 C302 179.9(5) . . . . ?
C305 C300 C301 C302 0.4(9) . . . . ?
O17 C300 C301 P6 -6.1(8) . . . . ?
C305 C300 C301 P6 174.4(5) . . . . ?
C300 C301 C302 C303 0.1(9) . . . . ?
P6 C301 C302 C303 -173.6(5) . . . . ?
C301 C302 C303 C304 -0.1(10) . . . . ?
C301 C302 C303 C376 178.0(6) . . . . ?
C302 C303 C304 C305 -0.4(11) . . . . ?
C376 C303 C304 C305 -178.5(7) . . . . ?
C303 C304 C305 C300 1.0(11) . . . . ?
O17 C300 C305 C304 179.6(6) . . . . ?
C301 C300 C305 C304 -0.9(10) . . . . ?
O16 C306 C307 C308 -177.7(6) . . . . ?
C311 C306 C307 C308 3.0(9) . . . . ?
O16 C306 C307 P5 0.0(8) . . . . ?
C311 C306 C307 P5 -179.3(5) . . . . ?
C306 C307 C308 C1A -1.3(10) . . . . ?
P5 C307 C308 C1A -179.0(5) . . . . ?
C1A C310 C311 C306 0.7(11) . . . . ?
O16 C306 C311 C310 178.0(6) . . . . ?
C307 C306 C311 C310 -2.7(10) . . . . ?
C234 C233 C316 C319 62.5(8) . . . . ?
C232 C233 C316 C319 -116.7(8) . . . . ?
C234 C233 C316 C317 -177.5(7) . . . . ?
C232 C233 C316 C317 3.4(10) . . . . ?
C234 C233 C316 C318 -57.8(9) . . . . ?
C232 C233 C316 C318 123.1(8) . . . . ?
C265 C264 C320 C323 -3.5(12) . . . . ?
C263 C264 C320 C323 177.8(9) . . . . ?
C265 C264 C320 C321 -125.1(8) . . . . ?
C263 C264 C320 C321 56.2(9) . . . . ?
C265 C264 C320 C322 117.5(8) . . . . ?
C263 C264 C320 C322 -61.2(9) . . . . ?
C221 C222 C324 C326 -71.5(12) . . . . ?
C223 C222 C324 C326 107.7(12) . . . . ?
C221 C222 C324 C325 165.1(9) . . . . ?
C223 C222 C324 C325 -15.6(13) . . . . ?
C221 C222 C324 C327 48.8(11) . . . . ?
C223 C222 C324 C327 -132.0(10) . . . . ?
C333 C328 C329 O32 179.0(5) . . . . ?
P7 C328 C329 O32 5.4(7) . . . . ?
C333 C328 C329 C330 0.3(9) . . . . ?
P7 C328 C329 C330 -173.4(5) . . . . ?
O32 C329 C330 C331 -178.7(6) . . . . ?
C328 C329 C330 C331 0.1(9) . . . . ?
C329 C330 C331 C332 0.1(10) . . . . ?
C330 C331 C332 C333 -0.5(10) . . . . ?
C330 C331 C332 C334 177.0(7) . . . . ?
C329 C328 C333 C332 -0.8(9) . . . . ?
P7 C328 C333 C332 172.5(5) . . . . ?
C331 C332 C333 C328 0.9(10) . . . . ?
C334 C332 C333 C328 -176.6(6) . . . . ?
C333 C332 C334 C466 -157.8(12) . . . . ?
C331 C332 C334 C466 24.8(15) . . . . ?
C333 C332 C334 C465 -36.5(16) . . . . ?
C331 C332 C334 C465 146.1(14) . . . . ?
C333 C332 C334 C364 80.2(17) . . . . ?
C331 C332 C334 C364 -97.2(16) . . . . ?
C212 C213 C360 C362 114.7(9) . . . . ?
C214 C213 C360 C362 -63.6(10) . . . . ?
C212 C213 C360 C461 -124.7(9) . . . . ?
C214 C213 C360 C461 57.0(11) . . . . ?
C212 C213 C360 C363 -5.8(12) . . . . ?
C214 C213 C360 C363 175.9(9) . . . . ?
C245 C244 C460 C462 129.5(10) . . . . ?
C243 C244 C460 C462 -54.3(13) . . . . ?
C245 C244 C460 C361 7.0(14) . . . . ?
C243 C244 C460 C361 -176.8(9) . . . . ?
C245 C244 C460 C463 -114.9(9) . . . . ?
C243 C244 C460 C463 61.2(11) . . . . ?
C201 C202 C464 C467 -177.3(7) . . . . ?
C203 C202 C464 C467 4.5(10) . . . . ?
C201 C202 C464 C365 -56.0(9) . . . . ?
C203 C202 C464 C365 125.8(7) . . . . ?
C201 C202 C464 C366 62.1(9) . . . . ?
C203 C202 C464 C366 -116.1(8) . . . . ?
C373 C468 C369 O3 179.6(6) . . . . ?
P7 C468 C369 O3 -0.4(8) . . . . ?
C373 C468 C369 C370 2.3(9) . . . . ?
P7 C468 C369 C370 -177.7(5) . . . . ?
O3 C369 C370 C471 179.8(7) . . . . ?
C468 C369 C370 C471 -2.9(11) . . . . ?
C369 C370 C471 C472 2.5(13) . . . . ?
C253 C252 C372 C374 3.1(11) . . . . ?
C251 C252 C372 C374 -178.3(7) . . . . ?
C253 C252 C372 C473 125.1(8) . . . . ?
C251 C252 C372 C473 -56.3(10) . . . . ?
C253 C252 C372 C375 -115.8(10) . . . . ?
C251 C252 C372 C375 62.8(10) . . . . ?
C370 C471 C472 C373 -1.4(12) . . . . ?
C370 C471 C472 C600 179.2(8) . . . . ?
C471 C472 C373 C468 0.8(11) . . . . ?
C600 C472 C373 C468 -179.8(6) . . . . ?
C369 C468 C373 C472 -1.3(10) . . . . ?
P7 C468 C373 C472 178.7(5) . . . . ?
C302 C303 C376 C377 -104.1(11) . . . . ?
C304 C303 C376 C377 73.9(12) . . . . ?
C302 C303 C376 C379 135.2(11) . . . . ?
C304 C303 C376 C379 -46.7(13) . . . . ?
C302 C303 C376 C378 16.0(11) . . . . ?
C304 C303 C376 C378 -166.0(8) . . . . ?
C370 C369 O3 Tb1 -112.8(6) . . . . ?
C468 C369 O3 Tb1 70.0(8) . . . . ?
C235 C230 O5 Tb4 55.0(8) . . . . ?
C231 C230 O5 Tb4 -124.5(5) . . . . ?
C367 C368 O7 Tb4 -138.8(5) . . . . ?
C204 C205 O8 Tb4 119.8(6) . . . . ?
C200 C205 O8 Tb4 -61.7(7) . . . . ?
C260 C261 O9 Tb2 63.7(7) . . . . ?
C262 C261 O9 Tb2 -118.0(6) . . . . ?
C311 C306 O16 Tb1 123.4(6) . . . . ?
C307 C306 O16 Tb1 -55.8(8) . . . . ?
C305 C300 O17 Tb2 124.0(6) . . . . ?
C301 C300 O17 Tb2 -55.5(8) . . . . ?
C254 C255 O21 Tb3 120.7(6) . . . . ?
C250 C255 O21 Tb3 -61.4(7) . . . . ?
Tb1 O4 P5 C307 -46.9(4) . . . . ?
Tb4 O4 P5 C307 70.3(3) . . . . ?
Tb1 O4 P5 C200 -165.6(3) . . . . ?
Tb4 O4 P5 C200 -48.4(3) . . . . ?
Tb1 O4 P5 C240 73.5(3) . . . . ?
Tb4 O4 P5 C240 -169.2(2) . . . . ?
C308 C307 P5 O4 -133.5(5) . . . . ?
C306 C307 P5 O4 48.8(6) . . . . ?
C308 C307 P5 C200 -13.0(6) . . . . ?
C306 C307 P5 C200 169.3(5) . . . . ?
C308 C307 P5 C240 101.0(5) . . . . ?
C306 C307 P5 C240 -76.7(5) . . . . ?
C205 C200 P5 O4 56.8(5) . . . . ?
C201 C200 P5 O4 -125.1(5) . . . . ?
C205 C200 P5 C307 -64.7(5) . . . . ?
C201 C200 P5 C307 113.3(5) . . . . ?
C205 C200 P5 C240 -177.9(5) . . . . ?
C201 C200 P5 C240 0.2(6) . . . . ?
C245 C240 P5 O4 -153.8(5) . . . . ?
C241 C240 P5 O4 35.2(6) . . . . ?
C245 C240 P5 C307 -30.1(5) . . . . ?
C241 C240 P5 C307 158.9(5) . . . . ?
C245 C240 P5 C200 83.8(5) . . . . ?
C241 C240 P5 C200 -87.2(5) . . . . ?
Tb2 O10 P6 C250 -163.0(3) . . . . ?
Tb3 O10 P6 C250 -46.6(3) . . . . ?
Tb2 O10 P6 C301 -43.8(4) . . . . ?
Tb3 O10 P6 C301 72.5(3) . . . . ?
Tb2 O10 P6 C220 75.2(3) . . . . ?
Tb3 O10 P6 C220 -168.5(3) . . . . ?
C251 C250 P6 O10 -129.1(5) . . . . ?
C255 C250 P6 O10 55.2(5) . . . . ?
C251 C250 P6 C301 108.4(5) . . . . ?
C255 C250 P6 C301 -67.3(5) . . . . ?
C251 C250 P6 C220 -4.2(6) . . . . ?
C255 C250 P6 C220 -180.0(4) . . . . ?
C302 C301 P6 O10 -133.6(5) . . . . ?
C300 C301 P6 O10 52.4(5) . . . . ?
C302 C301 P6 C250 -11.6(6) . . . . ?
C300 C301 P6 C250 174.4(5) . . . . ?
C302 C301 P6 C220 102.8(5) . . . . ?
C300 C301 P6 C220 -71.2(5) . . . . ?
C225 C220 P6 O10 30.7(6) . . . . ?
C221 C220 P6 O10 -154.9(5) . . . . ?
C225 C220 P6 C250 -93.1(6) . . . . ?
C221 C220 P6 C250 81.3(5) . . . . ?
C225 C220 P6 C301 153.6(6) . . . . ?
C221 C220 P6 C301 -32.1(6) . . . . ?
Tb3 O1 P7 C468 161.4(2) . . . . ?
Tb1 O1 P7 C468 46.7(3) . . . . ?
Tb3 O1 P7 C328 40.3(3) . . . . ?
Tb1 O1 P7 C328 -74.5(3) . . . . ?
Tb3 O1 P7 C211 -78.5(3) . . . . ?
Tb1 O1 P7 C211 166.8(3) . . . . ?
C373 C468 P7 O1 126.5(5) . . . . ?
C369 C468 P7 O1 -53.5(5) . . . . ?
C373 C468 P7 C328 -109.3(5) . . . . ?
C369 C468 P7 C328 70.7(5) . . . . ?
C373 C468 P7 C211 2.4(6) . . . . ?
C369 C468 P7 C211 -177.6(5) . . . . ?
C333 C328 P7 O1 135.7(5) . . . . ?
C329 C328 P7 O1 -50.7(5) . . . . ?
C333 C328 P7 C468 12.7(6) . . . . ?
C329 C328 P7 C468 -173.7(4) . . . . ?
C333 C328 P7 C211 -100.4(5) . . . . ?
C329 C328 P7 C211 73.2(5) . . . . ?
C210 C211 P7 O1 -26.1(7) . . . . ?
C212 C211 P7 O1 159.5(5) . . . . ?
C210 C211 P7 C468 96.4(6) . . . . ?
C212 C211 P7 C468 -78.0(6) . . . . ?
C210 C211 P7 C328 -149.7(6) . . . . ?
C212 C211 P7 C328 35.9(6) . . . . ?
Tb4 O6 P8 C260 159.3(3) . . . . ?
Tb2 O6 P8 C260 46.1(3) . . . . ?
Tb4 O6 P8 C235 39.6(4) . . . . ?
Tb2 O6 P8 C235 -73.6(3) . . . . ?
Tb4 O6 P8 C270 -78.4(3) . . . . ?
Tb2 O6 P8 C270 168.4(3) . . . . ?
C261 C260 P8 O6 -57.3(6) . . . . ?
C265 C260 P8 O6 127.3(5) . . . . ?
C261 C260 P8 C235 66.2(5) . . . . ?
C265 C260 P8 C235 -109.1(6) . . . . ?
C261 C260 P8 C270 177.6(5) . . . . ?
C265 C260 P8 C270 2.2(6) . . . . ?
C234 C235 P8 O6 136.3(5) . . . . ?
C230 C235 P8 O6 -49.1(5) . . . . ?
C234 C235 P8 C260 13.1(6) . . . . ?
C230 C235 P8 C260 -172.2(4) . . . . ?
C234 C235 P8 C270 -100.8(6) . . . . ?
C230 C235 P8 C270 73.9(5) . . . . ?
C271 C270 P8 O6 -21.0(6) . . . . ?
C275 C270 P8 O6 162.2(5) . . . . ?
C271 C270 P8 C260 103.6(6) . . . . ?
C275 C270 P8 C260 -73.2(6) . . . . ?
C271 C270 P8 C235 -143.8(6) . . . . ?
C275 C270 P8 C235 39.4(6) . . . . ?
C330 C329 O32 Tb3 -124.0(5) . . . . ?
C328 C329 O32 Tb3 57.3(7) . . . . ?
Tb3 O15 C700 C701 -129.9(6) . . . . ?
C307 C308 C1A C310 -0.8(10) . . . . ?
C307 C308 C1A C312 175.8(6) . . . . ?
C311 C310 C1A C308 1.2(10) . . . . ?
C311 C310 C1A C312 -175.3(7) . . . . ?
C313 C312 C1A C308 175.2(7) . . . . ?
C315 C312 C1A C308 46.8(10) . . . . ?
C314 C312 C1A C308 -68.5(8) . . . . ?
C313 C312 C1A C310 -8.4(10) . . . . ?
C315 C312 C1A C310 -136.8(8) . . . . ?
C314 C312 C1A C310 107.9(8) . . . . ?
C373 C472 C600 C603 -126.2(10) . . . . ?
C471 C472 C600 C603 53.2(11) . . . . ?
C373 C472 C600 C604 59.1(12) . . . . ?
C471 C472 C600 C604 -121.5(12) . . . . ?
C373 C472 C600 C602 113.3(9) . . . . ?
C471 C472 C600 C602 -67.3(10) . . . . ?
C373 C472 C600 C601 -1.4(10) . . . . ?
C471 C472 C600 C601 178.0(8) . . . . ?
C373 C472 C600 C606 -62.0(11) . . . . ?
C471 C472 C600 C606 117.4(11) . . . . ?
C373 C472 C600 C605 -177.1(9) . . . . ?
C471 C472 C600 C605 2.3(12) . . . . ?
Tb1 O2 C1U C2U 13(3) . . . . ?
Tb2 O18 C380 C381 130(3) . . . . ?

_refine_diff_density_max         2.605
_refine_diff_density_min         -1.256
_refine_diff_density_rms         0.112



####################################################################### 
# 
# 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_mk-w-tbuph-60fob
_database_code_depnum_ccdc_archive 'CCDC 2491822'
loop_
_audit_author_name
_audit_author_address
'Marcus Korb'
;The University of Western Australia
Australia
;
_audit_update_record             
;
2025-12-11 deposited with the CCDC.	2026-02-27 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         'C128 H176 Ho4 O24 P4'
_chemical_formula_sum            'C128 H176 Ho4 O24 P4'
_chemical_formula_weight         2882.28

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ho Ho -14.9734 3.7046 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   36.6346(6)
_cell_length_b                   10.5685(2)
_cell_length_c                   34.5274(6)
_cell_angle_alpha                90
_cell_angle_beta                 103.025(2)
_cell_angle_gamma                90
_cell_volume                     13024.1(4)
_cell_formula_units_Z            4

_cell_measurement_temperature    99.98(10)
_cell_measurement_reflns_used    27412
_cell_measurement_theta_min      2.5200
_cell_measurement_theta_max      75.2690

_exptl_crystal_description       plate
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_size_max          0.125
_exptl_crystal_size_mid          0.073
_exptl_crystal_size_min          0.053
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
1 2 0 0.0660
-1 -1 1 0.0479
-9 0 22 0.0339
9 -1 -22 0.0300
-7 7 0 0.0630
24 0 -3 0.0398
-24 0 3 0.0096
19 -1 8 0.0263
-19 2 -8 0.0266
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0.9687 1.9993 0.0216 0.0234 0.0014 -0.2935
-0.9869 -1.0006 0.9898 0.0338 0.0040 0.1520
-9.0677 0.3708 22.0722 0.9986 0.0255 0.0462
8.8522 -0.7463 -22.0015 -0.9996 -0.0256 0.0093
-6.6029 6.5708 -0.1288 0.1240 0.4211 -0.8985
23.7047 -0.2403 -3.3844 -0.2822 -0.9502 -0.1324
-23.7204 -0.1398 3.4493 0.2797 0.9417 0.1871
19.3997 -0.7557 8.2818 0.2329 -0.9725 -0.0091
-18.6557 1.7045 -8.4445 -0.2307 0.9640 -0.1324
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.470
_exptl_crystal_F_000             5856
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_absorpt_coefficient_mu    5.321
_shelx_estimated_absorpt_T_min   0.545
_shelx_estimated_absorpt_T_max   0.777
_exptl_absorpt_correction_T_min  0.928
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.90a (Rigaku Oxford Diffraction, 2023)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_oxdiff_exptl_absorpt_empirical_full_min 0.477
_oxdiff_exptl_absorpt_empirical_full_max 2.291
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_diffrn_ambient_temperature      99.98(10)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_measurement_device_type  
'XtaLAB Synergy, Single source at home/near, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_reflns_number            90414
_diffrn_reflns_av_unetI/netI     0.0396
_diffrn_reflns_av_R_equivalents  0.0767
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_theta_min         2.627
_diffrn_reflns_theta_max         66.494
_diffrn_reflns_theta_full        66.494
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             11463
_reflns_number_gt                9387
_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       'CrysAlisPro 1.171.42.90a (Rigaku OD, 2023)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.90a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.90a (Rigaku OD, 2023)'
_computing_structure_solution    'SHELXS-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.0840P)²+87.5827P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_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         11463
_refine_ls_number_parameters     723
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0682
_refine_ls_R_factor_gt           0.0562
_refine_ls_wR_factor_ref         0.1611
_refine_ls_wR_factor_gt          0.1551
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

# start Validation Reply Form
_vrf_PLAT242_mk-w-tbuph-60fob    
;
PROBLEM: Low    'MainMol' Ueq as Compared to Neighbors of         C7 Check 
RESPONSE: The adjacent atoms show a slight disorder. Attempts to resolve
this disorder improved values marginally while consuming parameters. Thus
the disorder was not resolved due to its peripheral positioning. 
;
_vrf_PLAT415_mk-w-tbuph-60fob    
;
PROBLEM: Short Inter D-H..H-X       H11      ..H14      .       1.91 Ang.  
RESPONSE: H14 was modeled with AFIX 43 into a constrained position.
In reality, it may be slightly bend to accomodate for the outlined weak
CH...pi interaction.
;
_vrf_PLAT420_mk-w-tbuph-60fob    
;
PROBLEM: D-H Bond Without Acceptor  O1       --H1       .     Please Check 
RESPONSE: This is not unusual as the mu-3-hydroxido entity is located on a
central position. 
;
# end Validation Reply Form

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
C1 C 0.13183(14) 0.4764(5) 0.35990(15) 0.0354(11) Uani 1 1 d . . . . .
C2 C 0.13830(15) 0.5273(5) 0.32441(16) 0.0372(12) Uani 1 1 d . . . . .
C3 C 0.17114(15) 0.5924(5) 0.32543(17) 0.0406(13) Uani 1 1 d . . . . .
H3 H 0.176498 0.623414 0.301493 0.049 Uiso 1 1 calc R U . . .
C4 C 0.19666(16) 0.6127(6) 0.36187(18) 0.0468(14) Uani 1 1 d . . . . .
H4 H 0.218823 0.659694 0.362142 0.056 Uiso 1 1 calc R U . . .
C5 C 0.19053(15) 0.5662(6) 0.39763(17) 0.0426(13) Uani 1 1 d . . . . .
C6 C 0.15788(15) 0.4979(5) 0.39584(16) 0.0377(12) Uani 1 1 d . . . . .
H6 H 0.152981 0.464596 0.419715 0.045 Uiso 1 1 calc R U . . .
C7 C 0.21687(18) 0.5989(8) 0.43768(19) 0.0582(18) Uani 1 1 d . . . . .
C8 C 0.2183(3) 0.4910(15) 0.4664(3) 0.157(7) Uani 1 1 d . . . . .
H8A H 0.192911 0.472178 0.469463 0.236 Uiso 1 1 calc R U . . .
H8B H 0.228757 0.416090 0.456116 0.236 Uiso 1 1 calc R U . . .
H8C H 0.234123 0.514471 0.492194 0.236 Uiso 1 1 calc R U . . .
C9 C 0.2014(3) 0.7163(16) 0.4534(4) 0.169(8) Uani 1 1 d . . . . .
H9A H 0.175577 0.700280 0.455691 0.253 Uiso 1 1 calc R U . . .
H9B H 0.216844 0.737526 0.479650 0.253 Uiso 1 1 calc R U . . .
H9C H 0.201641 0.786958 0.435120 0.253 Uiso 1 1 calc R U . . .
C10 C 0.25589(19) 0.6229(8) 0.4342(2) 0.066(2) Uani 1 1 d . . . . .
H10A H 0.256162 0.692922 0.415690 0.100 Uiso 1 1 calc R U . . .
H10B H 0.271338 0.644976 0.460390 0.100 Uiso 1 1 calc R U . . .
H10C H 0.265973 0.546596 0.424311 0.100 Uiso 1 1 calc R U . . .
C11 C 0.09278(15) 0.2433(5) 0.33206(15) 0.0368(12) Uani 1 1 d . . . . .
C12 C 0.05960(15) 0.1706(5) 0.32027(16) 0.0386(12) Uani 1 1 d . . . . .
C13 C 0.06190(16) 0.0591(6) 0.29882(16) 0.0405(12) Uani 1 1 d . . . . .
H13 H 0.040086 0.009087 0.289876 0.049 Uiso 1 1 calc R U . . .
C14 C 0.09506(17) 0.0215(6) 0.29063(18) 0.0452(13) Uani 1 1 d . . . . .
H14 H 0.095244 -0.052966 0.275290 0.054 Uiso 1 1 calc R U . . .
C15 C 0.12881(16) 0.0874(6) 0.30373(18) 0.0425(13) Uani 1 1 d . . . . .
C16 C 0.12653(15) 0.1993(5) 0.32444(17) 0.0404(12) Uani 1 1 d . . . . .
H16 H 0.148679 0.247436 0.333721 0.048 Uiso 1 1 calc R U . . .
C17 C 0.16641(17) 0.0421(6) 0.2965(2) 0.0502(15) Uani 1 1 d . . . . .
C18 C 0.1615(2) -0.0759(7) 0.2703(3) 0.070(2) Uani 1 1 d . . . . .
H18A H 0.185889 -0.102870 0.266136 0.105 Uiso 1 1 calc R U . . .
H18B H 0.150549 -0.144006 0.283281 0.105 Uiso 1 1 calc R U . . .
H18C H 0.144748 -0.056491 0.244547 0.105 Uiso 1 1 calc R U . . .
C19 C 0.1926(2) 0.0129(8) 0.3368(2) 0.070(2) Uani 1 1 d . . . . .
H19A H 0.195625 0.088964 0.353483 0.105 Uiso 1 1 calc R U . . .
H19B H 0.181797 -0.055079 0.349986 0.105 Uiso 1 1 calc R U . . .
H19C H 0.217066 -0.013742 0.332750 0.105 Uiso 1 1 calc R U . . .
C20 C 0.18380(18) 0.1446(7) 0.2749(2) 0.0576(17) Uani 1 1 d . . . . .
H20A H 0.187412 0.222050 0.290957 0.086 Uiso 1 1 calc R U . . .
H20B H 0.208057 0.115199 0.270932 0.086 Uiso 1 1 calc R U . . .
H20C H 0.167058 0.162186 0.249079 0.086 Uiso 1 1 calc R U . . .
C21 C 0.08799(15) 0.3486(5) 0.40738(16) 0.0372(12) Uani 1 1 d . . . . .
C22 C 0.06855(16) 0.4169(6) 0.43138(16) 0.0425(13) Uani 1 1 d . . . . .
C23 C 0.07311(19) 0.3807(7) 0.47116(18) 0.0542(16) Uani 1 1 d . . . . .
H23 H 0.058988 0.422149 0.487351 0.065 Uiso 1 1 calc R U . . .
C24 C 0.0978(2) 0.2856(7) 0.48731(19) 0.0578(17) Uani 1 1 d . . . . .
H24 H 0.100768 0.264658 0.514596 0.069 Uiso 1 1 calc R U . . .
C25 C 0.11850(18) 0.2196(6) 0.46460(18) 0.0504(15) Uani 1 1 d . . . . .
C26 C 0.11248(17) 0.2505(6) 0.42459(17) 0.0449(13) Uani 1 1 d . . . . .
H26 H 0.125299 0.203893 0.408206 0.054 Uiso 1 1 calc R U . . .
C27 C 0.1473(2) 0.1202(7) 0.4840(2) 0.0648(19) Uani 1 1 d . . . . .
C28 C 0.1286(3) 0.0139(9) 0.5007(3) 0.095(3) Uani 1 1 d . . . . .
H28A H 0.147511 -0.048541 0.512967 0.143 Uiso 1 1 calc R U . . .
H28B H 0.116075 0.047011 0.520838 0.143 Uiso 1 1 calc R U . . .
H28C H 0.110129 -0.026408 0.479348 0.143 Uiso 1 1 calc R U . . .
C29 C 0.1693(3) 0.0669(8) 0.4548(3) 0.080(3) Uani 1 1 d . . . . .
H29A H 0.181488 0.136293 0.443806 0.120 Uiso 1 1 calc R U . . .
H29B H 0.188303 0.007556 0.468800 0.120 Uiso 1 1 calc R U . . .
H29C H 0.152084 0.022574 0.433207 0.120 Uiso 1 1 calc R U . . .
C30 C 0.1761(3) 0.1836(9) 0.5180(2) 0.084(3) Uani 1 1 d . . . . .
H30A H 0.188392 0.253388 0.507217 0.126 Uiso 1 1 calc R U . . .
H30B H 0.163236 0.216509 0.537870 0.126 Uiso 1 1 calc R U . . .
H30C H 0.194882 0.121210 0.530365 0.126 Uiso 1 1 calc R U . . .
C31 C 0.05902(14) 0.7254(5) 0.16713(16) 0.0353(11) Uani 1 1 d . . . . .
C32 C 0.05376(14) 0.7994(5) 0.19998(15) 0.0354(11) Uani 1 1 d . . . . .
C33 C 0.03208(16) 0.9079(5) 0.19148(17) 0.0399(12) Uani 1 1 d . . . . .
H33 H 0.027511 0.958066 0.212732 0.048 Uiso 1 1 calc R U . . .
C34 C 0.01683(16) 0.9451(6) 0.15229(18) 0.0449(13) Uani 1 1 d . . . . .
H34 H 0.001765 1.019106 0.147665 0.054 Uiso 1 1 calc R U . . .
C35 C 0.02305(16) 0.8766(5) 0.11963(16) 0.0386(12) Uani 1 1 d . . . . .
C36 C 0.04412(15) 0.7665(5) 0.12807(15) 0.0362(11) Uani 1 1 d . . . . .
H36 H 0.048605 0.717192 0.106611 0.043 Uiso 1 1 calc R U . . .
C37 C 0.00866(18) 0.9199(6) 0.07656(17) 0.0457(14) Uani 1 1 d . . . . .
C38 C -0.0126(3) 0.8140(8) 0.0520(2) 0.078(2) Uani 1 1 d . . . . .
H38A H -0.033869 0.789277 0.063154 0.117 Uiso 1 1 calc R U . . .
H38B H -0.021699 0.842839 0.024577 0.117 Uiso 1 1 calc R U . . .
H38C H 0.004099 0.741271 0.052438 0.117 Uiso 1 1 calc R U . . .
C39 C 0.0414(2) 0.9595(9) 0.0601(2) 0.077(2) Uani 1 1 d . . . . .
H39A H 0.054906 1.028171 0.076359 0.116 Uiso 1 1 calc R U . . .
H39B H 0.058310 0.887279 0.060557 0.116 Uiso 1 1 calc R U . . .
H39C H 0.032511 0.988847 0.032696 0.116 Uiso 1 1 calc R U . . .
C40 C -0.0177(3) 1.0345(8) 0.0749(2) 0.074(2) Uani 1 1 d . . . . .
H40A H -0.039359 1.010291 0.085540 0.111 Uiso 1 1 calc R U . . .
H40B H -0.004238 1.103858 0.090788 0.111 Uiso 1 1 calc R U . . .
H40C H -0.026356 1.062270 0.047243 0.111 Uiso 1 1 calc R U . . .
C41 C 0.07715(15) 0.4917(5) 0.13255(15) 0.0361(11) Uani 1 1 d . . . . .
C42 C 0.04101(16) 0.4427(6) 0.11660(16) 0.0393(12) Uani 1 1 d . . . . .
C43 C 0.03442(17) 0.3780(5) 0.08021(17) 0.0405(12) Uani 1 1 d . . . . .
H43 H 0.010008 0.348371 0.068205 0.049 Uiso 1 1 calc R U . . .
C44 C 0.06436(19) 0.3574(6) 0.06175(19) 0.0498(15) Uani 1 1 d . . . . .
H44 H 0.059687 0.312382 0.037316 0.060 Uiso 1 1 calc R U . . .
C45 C 0.10071(18) 0.4003(6) 0.07770(19) 0.0477(14) Uani 1 1 d . . . . .
C46 C 0.10592(17) 0.4681(6) 0.11288(18) 0.0440(13) Uani 1 1 d . . . . .
H46 H 0.130220 0.500031 0.124198 0.053 Uiso 1 1 calc R U . . .
C47 C 0.1339(2) 0.3647(7) 0.0598(2) 0.0596(18) Uani 1 1 d . . . . .
C48 C 0.1603(3) 0.4757(9) 0.0609(3) 0.089(3) Uani 1 1 d . . . . .
H48A H 0.146828 0.546107 0.045529 0.133 Uiso 1 1 calc R U . . .
H48B H 0.169831 0.502483 0.088507 0.133 Uiso 1 1 calc R U . . .
H48C H 0.181294 0.450321 0.049380 0.133 Uiso 1 1 calc R U . . .
C49 C 0.1537(3) 0.2558(10) 0.0831(3) 0.090(3) Uani 1 1 d . . . . .
H49A H 0.136224 0.185024 0.082038 0.135 Uiso 1 1 calc R U . . .
H49B H 0.174679 0.229398 0.071650 0.135 Uiso 1 1 calc R U . . .
H49C H 0.163216 0.281560 0.110777 0.135 Uiso 1 1 calc R U . . .
C50 C 0.1206(3) 0.3234(10) 0.0162(2) 0.084(3) Uani 1 1 d . . . . .
H50A H 0.107510 0.393825 0.000510 0.125 Uiso 1 1 calc R U . . .
H50B H 0.142305 0.298861 0.005721 0.125 Uiso 1 1 calc R U . . .
H50C H 0.103533 0.251221 0.014596 0.125 Uiso 1 1 calc R U . . .
C51 C 0.13294(15) 0.6168(5) 0.19187(16) 0.0375(12) Uani 1 1 d . . . . .
C52 C 0.15966(16) 0.5415(6) 0.21710(17) 0.0456(14) Uani 1 1 d . . . . .
C53 C 0.19698(17) 0.5698(8) 0.2216(2) 0.0580(18) Uani 1 1 d . . . . .
H53 H 0.215216 0.520912 0.239313 0.070 Uiso 1 1 calc R U . . .
C54 C 0.20833(17) 0.6676(8) 0.2010(2) 0.0597(18) Uani 1 1 d . . . . .
H54 H 0.234392 0.683517 0.204527 0.072 Uiso 1 1 calc R U . . .
C55 C 0.18310(16) 0.7446(6) 0.17494(17) 0.0449(13) Uani 1 1 d . . . . .
C56 C 0.14543(16) 0.7184(6) 0.17153(17) 0.0420(13) Uani 1 1 d . . . . .
H56 H 0.127326 0.770580 0.154895 0.050 Uiso 1 1 calc R U . . .
C57 C 0.19711(18) 0.8496(6) 0.1518(2) 0.0518(15) Uani 1 1 d . . . . .
C58 C 0.2242(2) 0.7929(8) 0.1285(2) 0.068(2) Uani 1 1 d . . . . .
H58A H 0.211188 0.728595 0.110043 0.102 Uiso 1 1 calc R U . . .
H58B H 0.233377 0.860043 0.113529 0.102 Uiso 1 1 calc R U . . .
H58C H 0.245487 0.754038 0.147064 0.102 Uiso 1 1 calc R U . . .
C59 C 0.2172(3) 0.9492(9) 0.1805(3) 0.091(3) Uani 1 1 d . . . . .
H59A H 0.237653 0.909649 0.199860 0.137 Uiso 1 1 calc R U . . .
H59B H 0.227337 1.014349 0.165651 0.137 Uiso 1 1 calc R U . . .
H59C H 0.199451 0.988025 0.194372 0.137 Uiso 1 1 calc R U . . .
C60 C 0.1654(2) 0.9109(7) 0.1218(3) 0.070(2) Uani 1 1 d . . . . .
H60A H 0.152390 0.846471 0.103274 0.105 Uiso 1 1 calc R U . . .
H60B H 0.147645 0.949707 0.135691 0.105 Uiso 1 1 calc R U . . .
H60C H 0.175531 0.976031 0.106970 0.105 Uiso 1 1 calc R U . . .
C61 C 0.07087(18) 0.7612(7) 0.35966(18) 0.0514(15) Uani 1 1 d . . . . .
H61A H 0.066547 0.678255 0.371203 0.062 Uiso 1 1 calc R U . . .
H61B H 0.049876 0.817887 0.361692 0.062 Uiso 1 1 calc R U . . .
C62 C 0.1074(2) 0.8170(8) 0.3829(2) 0.068(2) Uani 1 1 d . . . . .
H62A H 0.106209 0.827308 0.410786 0.102 Uiso 1 1 calc R U . . .
H62B H 0.128134 0.760239 0.381198 0.102 Uiso 1 1 calc R U . . .
H62C H 0.111485 0.899678 0.371701 0.102 Uiso 1 1 calc R U . . .
C63 C 0.08866(16) 0.2033(6) 0.19830(19) 0.0486(14) Uani 1 1 d . . . . .
H63A H 0.094593 0.143636 0.220941 0.058 Uiso 1 1 calc R U . . .
H63B H 0.101623 0.284224 0.206846 0.058 Uiso 1 1 calc R U . . .
C64 C 0.1026(2) 0.1503(7) 0.1639(2) 0.0619(18) Uani 1 1 d . . . . .
H64A H 0.129669 0.136704 0.171989 0.093 Uiso 1 1 calc R U . . .
H64B H 0.090016 0.069567 0.155742 0.093 Uiso 1 1 calc R U . . .
H64C H 0.097037 0.209986 0.141664 0.093 Uiso 1 1 calc R U . . .
O1 O 0.00104(9) 0.5928(3) 0.21320(10) 0.0346(8) Uani 1 1 d . . . . .
H1 H 0.002486 0.656485 0.192165 0.042 Uiso 1 1 calc R U . . .
O2 O 0.03561(9) 0.3806(3) 0.25968(10) 0.0331(8) Uani 1 1 d . . . . .
H2 H 0.056344 0.317164 0.266215 0.040 Uiso 1 1 calc R U . . .
O3 O 0.05594(10) 0.4672(4) 0.33597(10) 0.0361(8) Uani 1 1 d . . . . .
O4 O 0.11322(10) 0.5100(4) 0.28985(10) 0.0380(8) Uani 1 1 d . . . . .
O5 O 0.02739(10) 0.2085(3) 0.32710(11) 0.0376(8) Uani 1 1 d . . . . .
O6 O 0.04693(11) 0.5192(4) 0.41841(11) 0.0436(9) Uani 1 1 d . . . . .
H6A H 0.029950 0.498814 0.398706 0.065 Uiso 1 1 calc R U . . .
O7 O 0.07004(10) 0.5029(3) 0.20894(10) 0.0359(8) Uani 1 1 d . . . . .
O8 O 0.06767(10) 0.7625(3) 0.23712(10) 0.0369(8) Uani 1 1 d . . . . .
O9 O 0.01323(10) 0.4600(4) 0.13552(10) 0.0374(8) Uani 1 1 d . . . . .
O10 O 0.15055(11) 0.4393(4) 0.23718(12) 0.0452(9) Uani 1 1 d . . . . .
H10 H 0.127506 0.440673 0.236573 0.068 Uiso 1 1 calc R U . . .
O11 O 0.07179(11) 0.7448(4) 0.31825(11) 0.0433(9) Uani 1 1 d . . . . .
H11 H 0.081884 0.817637 0.308339 0.052 Uiso 1 1 calc R U . . .
O12 O 0.04851(10) 0.2247(4) 0.18741(12) 0.0428(9) Uani 1 1 d . . . . .
H12 H 0.036028 0.153495 0.173680 0.051 Uiso 1 1 calc R U . . .
P1 P 0.08942(4) 0.38955(13) 0.35728(4) 0.0338(3) Uani 1 1 d . . . . .
P2 P 0.08381(4) 0.57929(13) 0.17770(4) 0.0332(3) Uani 1 1 d . . . . .
Ho1 Ho 0.05541(2) 0.58915(4) 0.26828(2) 0.03525(13) Uani 1 1 d . . . . .
Ho2 Ho 0.00509(2) 0.38383(4) 0.19371(2) 0.03533(13) Uani 1 1 d . . . . .


_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
C1 C6 1.403(7) . ?
C1 C2 1.406(8) . ?
C1 P1 1.789(5) . ?
C2 O4 1.345(6) . ?
C2 C3 1.379(8) . ?
C3 C4 1.405(8) . ?
C3 H3 0.9500 . ?
C4 C5 1.394(9) . ?
C4 H4 0.9500 . ?
C5 C6 1.386(8) . ?
C5 C7 1.537(8) . ?
C6 H6 0.9500 . ?
C7 C10 1.483(9) . ?
C7 C8 1.503(13) . ?
C7 C9 1.516(13) . ?
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 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C16 1.400(8) . ?
C11 C12 1.418(8) . ?
C11 P1 1.792(6) . ?
C12 O5 1.317(7) . ?
C12 C13 1.404(8) . ?
C13 C14 1.367(8) . ?
C13 H13 0.9500 . ?
C14 C15 1.402(8) . ?
C14 H14 0.9500 . ?
C15 C16 1.395(8) . ?
C15 C17 1.531(8) . ?
C16 H16 0.9500 . ?
C17 C18 1.528(10) . ?
C17 C19 1.532(10) . ?
C17 C20 1.534(9) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.407(8) . ?
C21 C26 1.412(8) . ?
C21 P1 1.795(5) . ?
C22 O6 1.356(7) . ?
C22 C23 1.399(8) . ?
C23 C24 1.383(10) . ?
C23 H23 0.9500 . ?
C24 C25 1.394(10) . ?
C24 H24 0.9500 . ?
C25 C26 1.388(8) . ?
C25 C27 1.531(9) . ?
C26 H26 0.9500 . ?
C27 C28 1.497(12) . ?
C27 C29 1.532(12) . ?
C27 C30 1.543(11) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C36 1.405(7) . ?
C31 C32 1.426(7) . ?
C31 P2 1.787(5) . ?
C32 O8 1.327(6) . ?
C32 C33 1.388(8) . ?
C33 C34 1.399(8) . ?
C33 H33 0.9500 . ?
C34 C35 1.401(8) . ?
C34 H34 0.9500 . ?
C35 C36 1.390(8) . ?
C35 C37 1.531(8) . ?
C36 H36 0.9500 . ?
C37 C39 1.499(10) . ?
C37 C38 1.509(10) . ?
C37 C40 1.543(10) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C46 1.399(8) . ?
C41 C42 1.413(8) . ?
C41 P2 1.782(5) . ?
C42 O9 1.340(7) . ?
C42 C43 1.403(8) . ?
C43 C44 1.404(8) . ?
C43 H43 0.9500 . ?
C44 C45 1.397(9) . ?
C44 H44 0.9500 . ?
C45 C46 1.386(9) . ?
C45 C47 1.529(8) . ?
C46 H46 0.9500 . ?
C47 C49 1.495(12) . ?
C47 C48 1.516(11) . ?
C47 C50 1.537(11) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 C52 1.402(8) . ?
C51 C56 1.414(8) . ?
C51 P2 1.800(5) . ?
C52 O10 1.365(7) . ?
C52 C53 1.373(9) . ?
C53 C54 1.372(10) . ?
C53 H53 0.9500 . ?
C54 C55 1.396(9) . ?
C54 H54 0.9500 . ?
C55 C56 1.386(8) . ?
C55 C57 1.522(9) . ?
C56 H56 0.9500 . ?
C57 C59 1.516(11) . ?
C57 C60 1.519(10) . ?
C57 C58 1.535(9) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 O11 1.448(7) . ?
C61 C62 1.517(10) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 O12 1.451(7) . ?
C63 C64 1.501(9) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
O1 Ho1 2.299(3) 2 ?
O1 Ho2 2.324(4) . ?
O1 Ho1 2.425(3) . ?
O1 H1 1.0000 . ?
O2 Ho2 2.300(3) . ?
O2 Ho1 2.319(4) . ?
O2 Ho2 2.428(3) 2 ?
O2 H2 1.0000 . ?
O3 P1 1.521(4) . ?
O3 Ho2 2.407(3) 2 ?
O3 Ho1 2.665(4) . ?
O4 Ho1 2.242(3) . ?
O5 Ho2 2.232(4) 2 ?
O6 H6A 0.8400 . ?
O7 P2 1.521(4) . ?
O7 Ho1 2.411(3) . ?
O7 Ho2 2.638(4) . ?
O8 Ho1 2.221(4) . ?
O9 Ho2 2.246(4) . ?
O10 H10 0.8400 . ?
O11 Ho1 2.362(4) . ?
O11 H11 0.9500 . ?
O12 Ho2 2.358(4) . ?
O12 H12 0.9500 . ?
Ho1 Ho2 3.5491(5) . ?
Ho1 Ho2 3.5572(6) 2 ?
Ho1 Ho1 3.9707(7) 2 ?

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
C6 C1 C2 119.6(5) . . ?
C6 C1 P1 122.5(4) . . ?
C2 C1 P1 117.9(4) . . ?
O4 C2 C3 120.5(5) . . ?
O4 C2 C1 120.4(5) . . ?
C3 C2 C1 119.1(5) . . ?
C2 C3 C4 120.0(5) . . ?
C2 C3 H3 120.0 . . ?
C4 C3 H3 120.0 . . ?
C5 C4 C3 122.1(5) . . ?
C5 C4 H4 118.9 . . ?
C3 C4 H4 118.9 . . ?
C6 C5 C4 117.0(5) . . ?
C6 C5 C7 121.2(5) . . ?
C4 C5 C7 121.6(5) . . ?
C5 C6 C1 122.1(5) . . ?
C5 C6 H6 118.9 . . ?
C1 C6 H6 118.9 . . ?
C10 C7 C8 107.0(7) . . ?
C10 C7 C9 109.6(8) . . ?
C8 C7 C9 110.2(11) . . ?
C10 C7 C5 112.8(5) . . ?
C8 C7 C5 110.1(6) . . ?
C9 C7 C5 107.3(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 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C16 C11 C12 120.2(5) . . ?
C16 C11 P1 122.6(4) . . ?
C12 C11 P1 117.3(4) . . ?
O5 C12 C13 120.8(5) . . ?
O5 C12 C11 121.9(5) . . ?
C13 C12 C11 117.2(5) . . ?
C14 C13 C12 121.0(5) . . ?
C14 C13 H13 119.5 . . ?
C12 C13 H13 119.5 . . ?
C13 C14 C15 123.3(6) . . ?
C13 C14 H14 118.3 . . ?
C15 C14 H14 118.3 . . ?
C16 C15 C14 115.9(5) . . ?
C16 C15 C17 120.6(5) . . ?
C14 C15 C17 123.6(5) . . ?
C15 C16 C11 122.4(5) . . ?
C15 C16 H16 118.8 . . ?
C11 C16 H16 118.8 . . ?
C18 C17 C15 111.1(5) . . ?
C18 C17 C19 109.9(6) . . ?
C15 C17 C19 108.5(6) . . ?
C18 C17 C20 107.2(6) . . ?
C15 C17 C20 110.2(5) . . ?
C19 C17 C20 109.9(6) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 C26 119.1(5) . . ?
C22 C21 P1 124.9(4) . . ?
C26 C21 P1 115.4(4) . . ?
O6 C22 C23 118.3(6) . . ?
O6 C22 C21 123.4(5) . . ?
C23 C22 C21 118.3(6) . . ?
C24 C23 C22 121.1(6) . . ?
C24 C23 H23 119.4 . . ?
C22 C23 H23 119.4 . . ?
C23 C24 C25 121.7(6) . . ?
C23 C24 H24 119.1 . . ?
C25 C24 H24 119.1 . . ?
C26 C25 C24 117.2(6) . . ?
C26 C25 C27 122.4(6) . . ?
C24 C25 C27 120.4(6) . . ?
C25 C26 C21 122.3(6) . . ?
C25 C26 H26 118.8 . . ?
C21 C26 H26 118.8 . . ?
C28 C27 C25 110.8(7) . . ?
C28 C27 C29 109.3(7) . . ?
C25 C27 C29 112.2(6) . . ?
C28 C27 C30 109.0(7) . . ?
C25 C27 C30 108.7(6) . . ?
C29 C27 C30 106.8(7) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C36 C31 C32 120.1(5) . . ?
C36 C31 P2 122.2(4) . . ?
C32 C31 P2 117.7(4) . . ?
O8 C32 C33 121.6(5) . . ?
O8 C32 C31 121.0(5) . . ?
C33 C32 C31 117.3(5) . . ?
C32 C33 C34 121.4(5) . . ?
C32 C33 H33 119.3 . . ?
C34 C33 H33 119.3 . . ?
C33 C34 C35 122.1(5) . . ?
C33 C34 H34 118.9 . . ?
C35 C34 H34 118.9 . . ?
C36 C35 C34 116.5(5) . . ?
C36 C35 C37 120.5(5) . . ?
C34 C35 C37 123.0(5) . . ?
C35 C36 C31 122.5(5) . . ?
C35 C36 H36 118.8 . . ?
C31 C36 H36 118.8 . . ?
C39 C37 C38 110.5(7) . . ?
C39 C37 C35 108.8(5) . . ?
C38 C37 C35 110.2(5) . . ?
C39 C37 C40 108.4(6) . . ?
C38 C37 C40 108.8(6) . . ?
C35 C37 C40 110.3(5) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C46 C41 C42 119.2(5) . . ?
C46 C41 P2 123.2(4) . . ?
C42 C41 P2 117.6(4) . . ?
O9 C42 C43 120.5(5) . . ?
O9 C42 C41 120.5(5) . . ?
C43 C42 C41 119.0(5) . . ?
C42 C43 C44 119.2(6) . . ?
C42 C43 H43 120.4 . . ?
C44 C43 H43 120.4 . . ?
C45 C44 C43 122.9(6) . . ?
C45 C44 H44 118.5 . . ?
C43 C44 H44 118.5 . . ?
C46 C45 C44 116.4(5) . . ?
C46 C45 C47 121.1(6) . . ?
C44 C45 C47 122.3(6) . . ?
C45 C46 C41 123.2(6) . . ?
C45 C46 H46 118.4 . . ?
C41 C46 H46 118.4 . . ?
C49 C47 C48 110.6(8) . . ?
C49 C47 C45 107.9(6) . . ?
C48 C47 C45 111.1(6) . . ?
C49 C47 C50 108.4(7) . . ?
C48 C47 C50 107.6(7) . . ?
C45 C47 C50 111.2(6) . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C47 C49 H49A 109.5 . . ?
C47 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C47 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C47 C50 H50A 109.5 . . ?
C47 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C47 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C52 C51 C56 118.7(5) . . ?
C52 C51 P2 124.0(5) . . ?
C56 C51 P2 116.6(4) . . ?
O10 C52 C53 117.7(5) . . ?
O10 C52 C51 123.2(5) . . ?
C53 C52 C51 119.0(6) . . ?
C54 C53 C52 121.0(6) . . ?
C54 C53 H53 119.5 . . ?
C52 C53 H53 119.5 . . ?
C53 C54 C55 122.7(6) . . ?
C53 C54 H54 118.7 . . ?
C55 C54 H54 118.7 . . ?
C56 C55 C54 116.1(6) . . ?
C56 C55 C57 123.2(5) . . ?
C54 C55 C57 120.7(5) . . ?
C55 C56 C51 122.5(5) . . ?
C55 C56 H56 118.8 . . ?
C51 C56 H56 118.8 . . ?
C59 C57 C60 109.5(7) . . ?
C59 C57 C55 109.6(6) . . ?
C60 C57 C55 111.9(5) . . ?
C59 C57 C58 109.7(6) . . ?
C60 C57 C58 107.1(6) . . ?
C55 C57 C58 109.0(6) . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C57 C59 H59A 109.5 . . ?
C57 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C57 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C57 C60 H60A 109.5 . . ?
C57 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C57 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
O11 C61 C62 110.8(6) . . ?
O11 C61 H61A 109.5 . . ?
C62 C61 H61A 109.5 . . ?
O11 C61 H61B 109.5 . . ?
C62 C61 H61B 109.5 . . ?
H61A C61 H61B 108.1 . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
O12 C63 C64 111.0(5) . . ?
O12 C63 H63A 109.4 . . ?
C64 C63 H63A 109.4 . . ?
O12 C63 H63B 109.4 . . ?
C64 C63 H63B 109.4 . . ?
H63A C63 H63B 108.0 . . ?
C63 C64 H64A 109.5 . . ?
C63 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C63 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
Ho1 O1 Ho2 100.64(14) 2 . ?
Ho1 O1 Ho1 114.40(14) 2 . ?
Ho2 O1 Ho1 96.72(13) . . ?
Ho1 O1 H1 114.3 2 . ?
Ho2 O1 H1 114.3 . . ?
Ho1 O1 H1 114.3 . . ?
Ho2 O2 Ho1 100.43(13) . . ?
Ho2 O2 Ho2 114.97(14) . 2 ?
Ho1 O2 Ho2 97.05(13) . 2 ?
Ho2 O2 H2 114.1 . . ?
Ho1 O2 H2 114.1 . . ?
Ho2 O2 H2 114.1 2 . ?
P1 O3 Ho2 125.4(2) . 2 ?
P1 O3 Ho1 122.07(19) . . ?
Ho2 O3 Ho1 88.92(11) 2 . ?
C2 O4 Ho1 130.5(3) . . ?
C12 O5 Ho2 129.0(3) . 2 ?
C22 O6 H6A 109.5 . . ?
P2 O7 Ho1 125.1(2) . . ?
P2 O7 Ho2 122.69(19) . . ?
Ho1 O7 Ho2 89.22(11) . . ?
C32 O8 Ho1 129.4(3) . . ?
C42 O9 Ho2 131.0(3) . . ?
C52 O10 H10 109.5 . . ?
C61 O11 Ho1 138.2(4) . . ?
C61 O11 H11 110.9 . . ?
Ho1 O11 H11 110.9 . . ?
C63 O12 Ho2 138.8(4) . . ?
C63 O12 H12 110.6 . . ?
Ho2 O12 H12 110.6 . . ?
O3 P1 C1 110.1(2) . . ?
O3 P1 C11 111.5(2) . . ?
C1 P1 C11 108.2(2) . . ?
O3 P1 C21 113.6(2) . . ?
C1 P1 C21 106.8(2) . . ?
C11 P1 C21 106.3(3) . . ?
O7 P2 C41 110.0(2) . . ?
O7 P2 C31 111.7(2) . . ?
C41 P2 C31 107.9(3) . . ?
O7 P2 C51 113.3(2) . . ?
C41 P2 C51 106.5(3) . . ?
C31 P2 C51 107.2(3) . . ?
O8 Ho1 O4 100.93(14) . . ?
O8 Ho1 O1 114.43(13) . 2 ?
O4 Ho1 O1 139.07(13) . 2 ?
O8 Ho1 O2 144.45(12) . . ?
O4 Ho1 O2 86.15(13) . . ?
O1 Ho1 O2 77.10(12) 2 . ?
O8 Ho1 O11 74.53(13) . . ?
O4 Ho1 O11 87.23(14) . . ?
O1 Ho1 O11 83.19(13) 2 . ?
O2 Ho1 O11 140.96(13) . . ?
O8 Ho1 O7 78.01(13) . . ?
O4 Ho1 O7 76.53(12) . . ?
O1 Ho1 O7 128.99(12) 2 . ?
O2 Ho1 O7 69.80(12) . . ?
O11 Ho1 O7 144.66(13) . . ?
O8 Ho1 O1 80.02(13) . . ?
O4 Ho1 O1 144.49(12) . . ?
O1 Ho1 O1 65.57(14) 2 . ?
O2 Ho1 O1 74.74(12) . . ?
O11 Ho1 O1 126.18(13) . . ?
O7 Ho1 O1 68.91(12) . . ?
O8 Ho1 O3 149.47(12) . . ?
O4 Ho1 O3 73.07(12) . . ?
O1 Ho1 O3 66.01(11) 2 . ?
O2 Ho1 O3 65.97(11) . . ?
O11 Ho1 O3 75.29(12) . . ?
O7 Ho1 O3 127.11(12) . . ?
O1 Ho1 O3 122.54(11) . . ?
O8 Ho1 Ho2 106.35(9) . . ?
O4 Ho1 Ho2 108.07(10) . . ?
O1 Ho1 Ho2 81.92(9) 2 . ?
O2 Ho1 Ho2 39.60(8) . . ?
O11 Ho1 Ho2 163.92(10) . . ?
O7 Ho1 Ho2 48.00(9) . . ?
O1 Ho1 Ho2 40.56(9) . . ?
O3 Ho1 Ho2 103.91(8) . . ?
O8 Ho1 Ho2 153.21(9) . 2 ?
O4 Ho1 Ho2 105.68(10) . 2 ?
O1 Ho1 Ho2 39.94(9) 2 2 ?
O2 Ho1 Ho2 42.64(8) . 2 ?
O11 Ho1 Ho2 103.44(9) . 2 ?
O7 Ho1 Ho2 111.05(9) . 2 ?
O1 Ho1 Ho2 80.16(9) . 2 ?
O3 Ho1 Ho2 42.57(7) . 2 ?
Ho2 Ho1 Ho2 68.268(14) . 2 ?
O8 Ho1 Ho1 98.62(9) . 2 ?
O4 Ho1 Ho1 157.98(10) . 2 ?
O1 Ho1 Ho1 33.79(8) 2 2 ?
O2 Ho1 Ho1 72.02(8) . 2 ?
O11 Ho1 Ho1 107.79(10) . 2 ?
O7 Ho1 Ho1 97.88(9) . 2 ?
O1 Ho1 Ho1 31.81(8) . 2 ?
O3 Ho1 Ho1 94.80(8) . 2 ?
Ho2 Ho1 Ho1 56.128(10) . 2 ?
Ho2 Ho1 Ho1 55.934(10) 2 2 ?
O5 Ho2 O9 100.25(14) 2 . ?
O5 Ho2 O2 114.29(13) 2 . ?
O9 Ho2 O2 139.32(13) . . ?
O5 Ho2 O1 144.92(12) 2 . ?
O9 Ho2 O1 87.05(13) . . ?
O2 Ho2 O1 77.05(12) . . ?
O5 Ho2 O12 72.54(13) 2 . ?
O9 Ho2 O12 86.83(14) . . ?
O2 Ho2 O12 83.88(13) . . ?
O1 Ho2 O12 142.47(13) . . ?
O5 Ho2 O3 77.89(13) 2 2 ?
O9 Ho2 O3 77.63(12) . 2 ?
O2 Ho2 O3 128.66(12) . 2 ?
O1 Ho2 O3 70.21(12) . 2 ?
O12 Ho2 O3 143.41(13) . 2 ?
O5 Ho2 O2 80.75(12) 2 2 ?
O9 Ho2 O2 145.41(12) . 2 ?
O2 Ho2 O2 65.01(14) . 2 ?
O1 Ho2 O2 74.49(12) . 2 ?
O12 Ho2 O2 125.37(13) . 2 ?
O3 Ho2 O2 68.72(12) 2 2 ?
O5 Ho2 O7 148.41(12) 2 . ?
O9 Ho2 O7 73.25(12) . . ?
O2 Ho2 O7 66.07(11) . . ?
O1 Ho2 O7 66.57(11) . . ?
O12 Ho2 O7 76.21(12) . . ?
O3 Ho2 O7 128.31(12) 2 . ?
O2 Ho2 O7 122.39(11) 2 . ?
O5 Ho2 Ho1 153.29(10) 2 . ?
O9 Ho2 Ho1 106.14(10) . . ?
O2 Ho2 Ho1 39.98(9) . . ?
O1 Ho2 Ho1 42.72(8) . . ?
O12 Ho2 Ho1 104.60(9) . . ?
O3 Ho2 Ho1 111.46(9) 2 . ?
O2 Ho2 Ho1 79.86(8) 2 . ?
O7 Ho2 Ho1 42.78(8) . . ?
O5 Ho2 Ho1 107.10(9) 2 2 ?
O9 Ho2 Ho1 109.32(10) . 2 ?
O2 Ho2 Ho1 81.26(9) . 2 ?
O1 Ho2 Ho1 39.42(9) . 2 ?
O12 Ho2 Ho1 163.40(10) . 2 ?
O3 Ho2 Ho1 48.51(9) 2 2 ?
O2 Ho2 Ho1 40.30(9) 2 2 ?
O7 Ho2 Ho1 104.16(8) . 2 ?
Ho1 Ho2 Ho1 67.939(13) . 2 ?

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
C6 C1 C2 O4 -178.5(5) . . . . ?
P1 C1 C2 O4 -0.3(7) . . . . ?
C6 C1 C2 C3 3.2(8) . . . . ?
P1 C1 C2 C3 -178.6(4) . . . . ?
O4 C2 C3 C4 178.3(5) . . . . ?
C1 C2 C3 C4 -3.3(8) . . . . ?
C2 C3 C4 C5 1.7(9) . . . . ?
C3 C4 C5 C6 0.1(9) . . . . ?
C3 C4 C5 C7 -174.5(6) . . . . ?
C4 C5 C6 C1 -0.3(9) . . . . ?
C7 C5 C6 C1 174.4(6) . . . . ?
C2 C1 C6 C5 -1.3(8) . . . . ?
P1 C1 C6 C5 -179.5(5) . . . . ?
C6 C5 C7 C10 156.4(7) . . . . ?
C4 C5 C7 C10 -29.2(10) . . . . ?
C6 C5 C7 C8 37.0(10) . . . . ?
C4 C5 C7 C8 -148.6(9) . . . . ?
C6 C5 C7 C9 -82.9(11) . . . . ?
C4 C5 C7 C9 91.5(10) . . . . ?
C16 C11 C12 O5 179.6(5) . . . . ?
P1 C11 C12 O5 0.5(7) . . . . ?
C16 C11 C12 C13 -3.9(8) . . . . ?
P1 C11 C12 C13 177.0(4) . . . . ?
O5 C12 C13 C14 178.0(5) . . . . ?
C11 C12 C13 C14 1.5(8) . . . . ?
C12 C13 C14 C15 2.1(9) . . . . ?
C13 C14 C15 C16 -3.0(9) . . . . ?
C13 C14 C15 C17 176.7(6) . . . . ?
C14 C15 C16 C11 0.5(9) . . . . ?
C17 C15 C16 C11 -179.2(6) . . . . ?
C12 C11 C16 C15 3.0(8) . . . . ?
P1 C11 C16 C15 -178.0(5) . . . . ?
C16 C15 C17 C18 -175.1(6) . . . . ?
C14 C15 C17 C18 5.2(9) . . . . ?
C16 C15 C17 C19 63.9(8) . . . . ?
C14 C15 C17 C19 -115.8(7) . . . . ?
C16 C15 C17 C20 -56.5(8) . . . . ?
C14 C15 C17 C20 123.9(7) . . . . ?
C26 C21 C22 O6 174.3(5) . . . . ?
P1 C21 C22 O6 3.4(8) . . . . ?
C26 C21 C22 C23 -2.8(8) . . . . ?
P1 C21 C22 C23 -173.7(5) . . . . ?
O6 C22 C23 C24 -173.2(6) . . . . ?
C21 C22 C23 C24 4.0(10) . . . . ?
C22 C23 C24 C25 -1.6(11) . . . . ?
C23 C24 C25 C26 -1.9(10) . . . . ?
C23 C24 C25 C27 176.4(7) . . . . ?
C24 C25 C26 C21 3.1(10) . . . . ?
C27 C25 C26 C21 -175.2(6) . . . . ?
C22 C21 C26 C25 -0.8(9) . . . . ?
P1 C21 C26 C25 171.0(5) . . . . ?
C26 C25 C27 C28 -119.4(8) . . . . ?
C24 C25 C27 C28 62.4(9) . . . . ?
C26 C25 C27 C29 3.1(10) . . . . ?
C24 C25 C27 C29 -175.2(7) . . . . ?
C26 C25 C27 C30 120.9(8) . . . . ?
C24 C25 C27 C30 -57.3(10) . . . . ?
C36 C31 C32 O8 -179.9(5) . . . . ?
P2 C31 C32 O8 1.8(7) . . . . ?
C36 C31 C32 C33 3.1(8) . . . . ?
P2 C31 C32 C33 -175.3(4) . . . . ?
O8 C32 C33 C34 -178.7(5) . . . . ?
C31 C32 C33 C34 -1.6(8) . . . . ?
C32 C33 C34 C35 -1.1(9) . . . . ?
C33 C34 C35 C36 2.3(9) . . . . ?
C33 C34 C35 C37 -176.1(5) . . . . ?
C34 C35 C36 C31 -0.8(8) . . . . ?
C37 C35 C36 C31 177.7(5) . . . . ?
C32 C31 C36 C35 -1.9(8) . . . . ?
P2 C31 C36 C35 176.4(4) . . . . ?
C36 C35 C37 C39 -68.1(8) . . . . ?
C34 C35 C37 C39 110.3(7) . . . . ?
C36 C35 C37 C38 53.1(8) . . . . ?
C34 C35 C37 C38 -128.5(7) . . . . ?
C36 C35 C37 C40 173.2(6) . . . . ?
C34 C35 C37 C40 -8.4(9) . . . . ?
C46 C41 C42 O9 177.6(5) . . . . ?
P2 C41 C42 O9 -1.4(7) . . . . ?
C46 C41 C42 C43 -3.7(8) . . . . ?
P2 C41 C42 C43 177.3(4) . . . . ?
O9 C42 C43 C44 -177.8(5) . . . . ?
C41 C42 C43 C44 3.5(8) . . . . ?
C42 C43 C44 C45 -0.9(10) . . . . ?
C43 C44 C45 C46 -1.4(10) . . . . ?
C43 C44 C45 C47 173.0(6) . . . . ?
C44 C45 C46 C41 1.3(9) . . . . ?
C47 C45 C46 C41 -173.2(6) . . . . ?
C42 C41 C46 C45 1.3(9) . . . . ?
P2 C41 C46 C45 -179.8(5) . . . . ?
C46 C45 C47 C49 76.8(9) . . . . ?
C44 C45 C47 C49 -97.3(8) . . . . ?
C46 C45 C47 C48 -44.6(10) . . . . ?
C44 C45 C47 C48 141.3(7) . . . . ?
C46 C45 C47 C50 -164.5(7) . . . . ?
C44 C45 C47 C50 21.4(10) . . . . ?
C56 C51 C52 O10 -178.1(5) . . . . ?
P2 C51 C52 O10 -7.8(9) . . . . ?
C56 C51 C52 C53 0.8(9) . . . . ?
P2 C51 C52 C53 171.2(5) . . . . ?
O10 C52 C53 C54 177.0(7) . . . . ?
C51 C52 C53 C54 -2.0(11) . . . . ?
C52 C53 C54 C55 1.0(12) . . . . ?
C53 C54 C55 C56 1.2(11) . . . . ?
C53 C54 C55 C57 -178.3(7) . . . . ?
C54 C55 C56 C51 -2.4(9) . . . . ?
C57 C55 C56 C51 177.1(6) . . . . ?
C52 C51 C56 C55 1.4(9) . . . . ?
P2 C51 C56 C55 -169.6(5) . . . . ?
C56 C55 C57 C59 115.3(8) . . . . ?
C54 C55 C57 C59 -65.2(9) . . . . ?
C56 C55 C57 C60 -6.3(9) . . . . ?
C54 C55 C57 C60 173.1(7) . . . . ?
C56 C55 C57 C58 -124.6(7) . . . . ?
C54 C55 C57 C58 54.8(8) . . . . ?
C3 C2 O4 Ho1 -112.0(5) . . . . ?
C1 C2 O4 Ho1 69.6(7) . . . . ?
C13 C12 O5 Ho2 -116.3(5) . . . 2 ?
C11 C12 O5 Ho2 60.0(7) . . . 2 ?
C33 C32 O8 Ho1 115.4(5) . . . . ?
C31 C32 O8 Ho1 -61.5(6) . . . . ?
C43 C42 O9 Ho2 113.9(5) . . . . ?
C41 C42 O9 Ho2 -67.5(7) . . . . ?
C62 C61 O11 Ho1 135.2(5) . . . . ?
C64 C63 O12 Ho2 -133.8(5) . . . . ?
Ho2 O3 P1 C1 160.8(2) 2 . . . ?
Ho1 O3 P1 C1 46.1(3) . . . . ?
Ho2 O3 P1 C11 40.6(3) 2 . . . ?
Ho1 O3 P1 C11 -74.1(3) . . . . ?
Ho2 O3 P1 C21 -79.5(3) 2 . . . ?
Ho1 O3 P1 C21 165.8(2) . . . . ?
C6 C1 P1 O3 126.3(5) . . . . ?
C2 C1 P1 O3 -51.8(5) . . . . ?
C6 C1 P1 C11 -111.5(5) . . . . ?
C2 C1 P1 C11 70.3(5) . . . . ?
C6 C1 P1 C21 2.5(5) . . . . ?
C2 C1 P1 C21 -175.6(4) . . . . ?
C16 C11 P1 O3 133.6(4) . . . . ?
C12 C11 P1 O3 -47.3(5) . . . . ?
C16 C11 P1 C1 12.3(5) . . . . ?
C12 C11 P1 C1 -168.6(4) . . . . ?
C16 C11 P1 C21 -102.0(5) . . . . ?
C12 C11 P1 C21 77.0(5) . . . . ?
C22 C21 P1 O3 -24.9(6) . . . . ?
C26 C21 P1 O3 163.8(4) . . . . ?
C22 C21 P1 C1 96.7(5) . . . . ?
C26 C21 P1 C1 -74.6(5) . . . . ?
C22 C21 P1 C11 -148.0(5) . . . . ?
C26 C21 P1 C11 40.8(5) . . . . ?
Ho1 O7 P2 C41 -161.8(2) . . . . ?
Ho2 O7 P2 C41 -46.3(3) . . . . ?
Ho1 O7 P2 C31 -42.0(3) . . . . ?
Ho2 O7 P2 C31 73.5(3) . . . . ?
Ho1 O7 P2 C51 79.2(3) . . . . ?
Ho2 O7 P2 C51 -165.3(2) . . . . ?
C46 C41 P2 O7 -126.6(5) . . . . ?
C42 C41 P2 O7 52.4(5) . . . . ?
C46 C41 P2 C31 111.4(5) . . . . ?
C42 C41 P2 C31 -69.6(5) . . . . ?
C46 C41 P2 C51 -3.4(6) . . . . ?
C42 C41 P2 C51 175.5(4) . . . . ?
C36 C31 P2 O7 -132.2(4) . . . . ?
C32 C31 P2 O7 46.1(5) . . . . ?
C36 C31 P2 C41 -11.2(5) . . . . ?
C32 C31 P2 C41 167.2(4) . . . . ?
C36 C31 P2 C51 103.1(5) . . . . ?
C32 C31 P2 C51 -78.5(5) . . . . ?
C52 C51 P2 O7 29.0(6) . . . . ?
C56 C51 P2 O7 -160.5(4) . . . . ?
C52 C51 P2 C41 -92.1(5) . . . . ?
C56 C51 P2 C41 78.5(5) . . . . ?
C52 C51 P2 C31 152.6(5) . . . . ?
C56 C51 P2 C31 -36.8(5) . . . . ?

_refine_diff_density_max         1.397
_refine_diff_density_min         -0.957
_refine_diff_density_rms         0.110

####################################################################### 
# 
# 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_MK-B-73-small
_database_code_depnum_ccdc_archive 'CCDC 2491821'
loop_
_audit_author_name
_audit_author_address
'Marcus Korb'
;The University of Western Australia
Australia
;
_audit_update_record             
;
2025-09-27 deposited with the CCDC.	2026-02-27 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         
'C124.75 H169.93 Dy4 O24 P4, 5.34(C2 H6 O) [+ solvent]'
_chemical_formula_sum            'C135.43 H201.97 Dy4 O29.34 P4'
_chemical_formula_weight         3073.35

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 '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/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   15.42910(10)
_cell_length_b                   35.2632(3)
_cell_length_c                   28.8975(3)
_cell_angle_alpha                90
_cell_angle_beta                 98.7970(10)
_cell_angle_gamma                90
_cell_volume                     15537.6(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100.01(10)
_cell_measurement_reflns_used    40980
_cell_measurement_theta_min      2.8810
_cell_measurement_theta_max      73.8800

_exptl_crystal_description       plate
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_size_max          0.170
_exptl_crystal_size_mid          0.094
_exptl_crystal_size_min          0.028
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1 0 1 0.0635
1 0 2 0.0488
0 0 1 0.0666
0 0 -1 0.0200
-1 0 -1 0.0446
-1 22 -3 0.0131
1 -22 3 0.0150
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-0.9998 0.0030 0.9974 -0.0279 -0.0183 0.1016
0.9950 -0.0012 1.9987 0.1374 0.0786 0.0009
-0.0016 0.0006 0.9987 0.0365 0.0201 0.0341
0.0016 -0.0006 -0.9987 -0.0365 -0.0201 -0.0341
-0.9966 0.0018 -1.0000 -0.1009 -0.0585 0.0333
-1.2610 22.2310 -3.3843 -0.6879 0.7257 -0.0090
1.2610 -22.2310 3.3843 0.6879 -0.7257 0.0090
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_dciffrn   1.314
_exptl_crystal_F_000             6293
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_absorpt_coefficient_mu    11.007
_shelx_estimated_absorpt_T_min   0.256
_shelx_estimated_absorpt_T_max   0.734
_exptl_absorpt_correction_T_min  0.630
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.129a (Rigaku Oxford Diffraction, 2024)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_oxdiff_exptl_absorpt_empirical_full_min 0.598
_oxdiff_exptl_absorpt_empirical_full_max 2.590
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_diffrn_ambient_temperature      100.01(10)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_measurement_device_type  
'XtaLAB Synergy, Single source at home/near, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_reflns_number            193736
_diffrn_reflns_av_unetI/netI     0.0450
_diffrn_reflns_av_R_equivalents  0.0781
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         2.945
_diffrn_reflns_theta_max         66.498
_diffrn_reflns_theta_full        66.498
_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             27376
_reflns_number_gt                22219
_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.
 
 Structure factors included contributions from the .fab file.
 
 _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       
'CrysAlisPro system (CCD 43.129a 64-bit (release 29-06-2024))'
_computing_cell_refinement       'CrysAlisPro 1.171.43.129a (Rigaku OD, 2024)'
_computing_data_reduction        'CrysAlisPro 1.171.43.129a (Rigaku OD, 2024)'
_computing_structure_solution    'SHELXT-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.0547P)²+4.9751P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         27376
_refine_ls_number_parameters     1640
_refine_ls_number_restraints     16
_refine_ls_R_factor_all          0.0527
_refine_ls_R_factor_gt           0.0387
_refine_ls_wR_factor_ref         0.0980
_refine_ls_wR_factor_gt          0.0936
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

# start Validation Reply Form
_vrf_PLAT213_MK-B-73-small       
;
PROBLEM: Atom C30             has ADP max/min Ratio .....        4.3 prolat
RESPONSE: the structure contained two or three additional molecules of
ethanol, which were removed using the squeeze procedure. The remaining
packing solvent is slightly disordered. However, attempts to refine them
over two sets of sites failed, due to the complexity of the strucutre. 
Hence, short interactions between such molecules can be observed and 
ellipsoids of the involved carbon atoms are slightly increased. 
;
_vrf_PLAT220_MK-B-73-small       
;
PROBLEM: NonSolvent   Resd 1  C   Ueq(max)/Ueq(min) Range        9.2 Ratio 
RESPONSE: see above
;
_vrf_PLAT242_MK-B-73-small       
;
PROBLEM: Low    'MainMol' Ueq as Compared to Neighbors of        C27 Check 
RESPONSE: see above
;
_vrf_PLAT417_MK-B-73-small       
;
PROBLEM: Short Inter D-H..H-D       H22      ..H27      .       1.80 Ang.  
RESPONSE: see above
;
_vrf_PLAT420_MK-B-73-small       
;
PROBLEM: D-H Bond Without Acceptor  O17      --H17      .     Please Check 
RESPONSE: see above
;
# end Validation Reply Form

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
C1 C 0.2311(3) 0.36463(11) 0.85097(13) 0.0318(8) Uani 1 1 d . . . . .
C2 C 0.2950(3) 0.35968(11) 0.82152(14) 0.0332(8) Uani 1 1 d . . . . .
C3 C 0.3517(3) 0.32872(12) 0.82978(16) 0.0412(10) Uani 1 1 d . . . . .
H3 H 0.393893 0.324142 0.809686 0.049 Uiso 1 1 calc R U . . .
C4 C 0.3467(3) 0.30473(12) 0.86706(16) 0.0434(10) Uani 1 1 d . . . . .
H4 H 0.386172 0.283946 0.872022 0.052 Uiso 1 1 calc R U . . .
C5 C 0.2857(3) 0.30976(12) 0.89792(15) 0.0407(10) Uani 1 1 d . . . . .
C6 C 0.2283(3) 0.33989(12) 0.88868(14) 0.0366(9) Uani 1 1 d . . . . .
H6 H 0.185475 0.343968 0.908559 0.044 Uiso 1 1 calc R U . . .
C7 C 0.2846(3) 0.28219(13) 0.93870(17) 0.0484(11) Uani 1 1 d . . . . .
C8 C 0.2664(5) 0.24231(16) 0.9185(2) 0.0760(17) Uani 1 1 d . . . . .
H8A H 0.265423 0.224193 0.944128 0.114 Uiso 1 1 calc R U . . .
H8B H 0.209465 0.242049 0.898082 0.114 Uiso 1 1 calc R U . . .
H8C H 0.312554 0.235180 0.900346 0.114 Uiso 1 1 calc R U . . .
C9 C 0.3747(4) 0.28213(18) 0.9696(2) 0.0748(17) Uani 1 1 d . . . . .
H9A H 0.373943 0.264458 0.995748 0.112 Uiso 1 1 calc R U . . .
H9B H 0.419519 0.274171 0.951012 0.112 Uiso 1 1 calc R U . . .
H9C H 0.388213 0.307706 0.981913 0.112 Uiso 1 1 calc R U . . .
C10 C 0.2143(5) 0.2927(2) 0.9685(2) 0.103(3) Uani 1 1 d . . . . .
H10A H 0.215589 0.274512 0.994212 0.154 Uiso 1 1 calc R U . . .
H10B H 0.225888 0.318267 0.981395 0.154 Uiso 1 1 calc R U . . .
H10C H 0.156464 0.292191 0.949033 0.154 Uiso 1 1 calc R U . . .
C11 C 0.0869(3) 0.38654(11) 0.78180(14) 0.0339(9) Uani 1 1 d . . . . .
C12 C 0.0263(2) 0.41283(12) 0.75864(14) 0.0347(9) Uani 1 1 d . . . . .
C13 C -0.0298(3) 0.40023(13) 0.71881(15) 0.0401(9) Uani 1 1 d . . . . .
H13 H -0.070727 0.417376 0.702168 0.048 Uiso 1 1 calc R U . . .
C14 C -0.0265(3) 0.36310(13) 0.70333(15) 0.0417(10) Uani 1 1 d . . . . .
H14 H -0.065924 0.355359 0.676484 0.050 Uiso 1 1 calc R U . . .
C15 C 0.0331(3) 0.33664(12) 0.72598(15) 0.0395(9) Uani 1 1 d . . . . .
C16 C 0.0889(3) 0.34969(12) 0.76520(15) 0.0386(9) Uani 1 1 d . . . . .
H16 H 0.130375 0.332525 0.781379 0.046 Uiso 1 1 calc R U . . .
C17 C 0.0379(3) 0.29533(13) 0.70956(17) 0.0475(11) Uani 1 1 d . . . . .
C18 C 0.1310(4) 0.28678(17) 0.7003(2) 0.0750(18) Uani 1 1 d . . . . .
H18A H 0.172923 0.291888 0.728637 0.113 Uiso 1 1 calc R U . . .
H18B H 0.135076 0.260061 0.691491 0.113 Uiso 1 1 calc R U . . .
H18C H 0.144689 0.302900 0.674714 0.113 Uiso 1 1 calc R U . . .
C19 C -0.0249(4) 0.28706(16) 0.66480(19) 0.0614(13) Uani 1 1 d . . . . .
H19A H -0.085136 0.292327 0.669832 0.092 Uiso 1 1 calc R U . . .
H19B H -0.010232 0.303185 0.639488 0.092 Uiso 1 1 calc R U . . .
H19C H -0.019845 0.260346 0.656266 0.092 Uiso 1 1 calc R U . . .
C20 C 0.0149(4) 0.26884(15) 0.7484(2) 0.0644(14) Uani 1 1 d . . . . .
H20A H 0.054752 0.273774 0.777548 0.097 Uiso 1 1 calc R U . . .
H20B H -0.045686 0.273552 0.753276 0.097 Uiso 1 1 calc R U . . .
H20C H 0.020838 0.242380 0.739014 0.097 Uiso 1 1 calc R U . . .
C21 C 0.0774(3) 0.40026(12) 0.87763(15) 0.0373(9) Uani 1 1 d . . . . .
C22 C 0.0783(3) 0.42600(13) 0.91476(15) 0.0411(10) Uani 1 1 d . . . . .
C23 C 0.0175(3) 0.42098(15) 0.94529(16) 0.0503(12) Uani 1 1 d . . . . .
H23 H 0.016194 0.438533 0.970123 0.060 Uiso 1 1 calc R U . . .
C24 C -0.0406(3) 0.39120(16) 0.94024(18) 0.0561(13) Uani 1 1 d . . . . .
H24 H -0.081146 0.388761 0.961721 0.067 Uiso 1 1 calc R U . . .
C25 C -0.0420(3) 0.36435(14) 0.90450(18) 0.0500(12) Uani 1 1 d . . . . .
C26 C 0.0176(3) 0.36994(13) 0.87367(16) 0.0433(10) Uani 1 1 d . . . . .
H26 H 0.017965 0.352435 0.848716 0.052 Uiso 1 1 calc R U . . .
C27 C -0.1029(3) 0.32995(16) 0.8998(2) 0.0590(14) Uani 1 1 d . . . . .
C28 C -0.1285(8) 0.3183(4) 0.8507(3) 0.210(8) Uani 1 1 d . . . . .
H28A H -0.075834 0.312640 0.836800 0.315 Uiso 1 1 calc R U . . .
H28B H -0.165467 0.295575 0.849393 0.315 Uiso 1 1 calc R U . . .
H28C H -0.161325 0.338828 0.833110 0.315 Uiso 1 1 calc R U . . .
C29 C -0.0567(6) 0.2972(2) 0.9243(4) 0.137(4) Uani 1 1 d . . . . .
H29A H -0.002601 0.292267 0.911410 0.205 Uiso 1 1 calc R U . . .
H29B H -0.042351 0.302857 0.957762 0.205 Uiso 1 1 calc R U . . .
H29C H -0.094621 0.274783 0.919840 0.205 Uiso 1 1 calc R U . . .
C30 C -0.1846(6) 0.3380(2) 0.9185(6) 0.229(9) Uani 1 1 d . . . . .
H30A H -0.170457 0.345871 0.951279 0.344 Uiso 1 1 calc R U . . .
H30B H -0.216750 0.358293 0.900165 0.344 Uiso 1 1 calc R U . . .
H30C H -0.220891 0.315039 0.916448 0.344 Uiso 1 1 calc R U . . .
C281 C -0.1040(3) 0.58256(16) 0.77041(18) 0.0587(13) Uani 1 1 d . . . . .
H28D H -0.118479 0.608100 0.758245 0.088 Uiso 1 1 calc R U . . .
H28E H -0.155382 0.566076 0.762849 0.088 Uiso 1 1 calc R U . . .
H28F H -0.086897 0.583722 0.804462 0.088 Uiso 1 1 calc R U . . .
C31 C 0.3927(2) 0.41777(11) 0.61977(13) 0.0314(8) Uani 1 1 d . . . . .
C32 C 0.3584(2) 0.45194(12) 0.59858(14) 0.0349(9) Uani 1 1 d . . . . .
C33 C 0.3516(3) 0.45437(14) 0.54995(14) 0.0427(10) Uani 1 1 d . . . . .
H33 H 0.331602 0.477309 0.534714 0.051 Uiso 1 1 calc R U . . .
C34 C 0.3733(3) 0.42435(15) 0.52356(15) 0.0464(11) Uani 1 1 d . . . . .
H34 H 0.367018 0.427150 0.490523 0.056 Uiso 1 1 calc R U . . .
C35 C 0.4040(3) 0.39007(14) 0.54344(15) 0.0427(10) Uani 1 1 d . . . . .
C36 C 0.4142(3) 0.38765(12) 0.59215(15) 0.0384(9) Uani 1 1 d . . . . .
H36 H 0.436472 0.364868 0.607003 0.046 Uiso 1 1 calc R U . . .
C37 C 0.4253(4) 0.35549(16) 0.51524(18) 0.0598(14) Uani 1 1 d . . . . .
C38 C 0.4078(5) 0.3625(2) 0.4633(2) 0.104(3) Uani 1 1 d . . . . .
H38A H 0.346746 0.370561 0.454235 0.156 Uiso 1 1 calc R U . . .
H38B H 0.447109 0.382451 0.455213 0.156 Uiso 1 1 calc R U . . .
H38C H 0.418079 0.339134 0.446660 0.156 Uiso 1 1 calc R U . . .
C039 C 0.1366(4) 0.49818(15) 0.49572(18) 0.0571(13) Uani 1 1 d . . . . .
H03A H 0.165773 0.494160 0.468276 0.086 Uiso 1 1 calc R U . . .
H03B H 0.083834 0.513583 0.486802 0.086 Uiso 1 1 calc R U . . .
H03C H 0.176639 0.511339 0.520100 0.086 Uiso 1 1 calc R U . . .
C39 C 0.3631(7) 0.3232(2) 0.5254(3) 0.139(4) Uani 1 1 d . . . . .
H39A H 0.302119 0.331178 0.515755 0.209 Uiso 1 1 calc R U . . .
H39B H 0.374926 0.300528 0.507840 0.209 Uiso 1 1 calc R U . . .
H39C H 0.372751 0.317577 0.558972 0.209 Uiso 1 1 calc R U . . .
C40 C 0.5178(5) 0.3432(2) 0.5300(2) 0.095(2) Uani 1 1 d . . . . .
H40A H 0.528052 0.338757 0.563828 0.143 Uiso 1 1 calc R U . . .
H40B H 0.528546 0.319742 0.513585 0.143 Uiso 1 1 calc R U . . .
H40C H 0.557576 0.363059 0.522139 0.143 Uiso 1 1 calc R U . . .
C41 C 0.5013(2) 0.44807(11) 0.70034(14) 0.0331(8) Uani 1 1 d . . . . .
C42 C 0.5233(2) 0.45467(12) 0.74849(14) 0.0343(9) Uani 1 1 d . . . . .
C43 C 0.5981(3) 0.47704(14) 0.76301(15) 0.0427(10) Uani 1 1 d . . . . .
H43 H 0.614688 0.482571 0.795326 0.051 Uiso 1 1 calc R U . . .
C44 C 0.6475(3) 0.49102(14) 0.73096(17) 0.0477(11) Uani 1 1 d . . . . .
H44 H 0.698242 0.505572 0.741985 0.057 Uiso 1 1 calc R U . . .
C45 C 0.6257(3) 0.48463(13) 0.68287(15) 0.0396(10) Uani 1 1 d . . . . .
C46 C 0.5515(3) 0.46296(12) 0.66832(14) 0.0351(9) Uani 1 1 d . . . . .
H46 H 0.534441 0.458138 0.635862 0.042 Uiso 1 1 calc R U . . .
C47 C 0.6840(3) 0.49961(15) 0.64763(17) 0.0526(12) Uani 1 1 d . . . . .
C48 C 0.6358(4) 0.5010(2) 0.5984(2) 0.0763(19) Uani 1 1 d . . . . .
H48A H 0.614194 0.475559 0.588939 0.114 Uiso 1 1 calc R U . . .
H48B H 0.586205 0.518495 0.596834 0.114 Uiso 1 1 calc R U . . .
H48C H 0.675701 0.509696 0.577277 0.114 Uiso 1 1 calc R U . . .
C49 C 0.7170(8) 0.5383(3) 0.6620(3) 0.168(6) Uani 1 1 d . . . . .
H49A H 0.748400 0.537462 0.694179 0.252 Uiso 1 1 calc R U . . .
H49B H 0.756849 0.547082 0.640932 0.252 Uiso 1 1 calc R U . . .
H49C H 0.667353 0.555881 0.660489 0.252 Uiso 1 1 calc R U . . .
C50 C 0.7604(5) 0.4721(3) 0.6490(3) 0.136(4) Uani 1 1 d . . . . .
H50A H 0.738005 0.446827 0.639472 0.205 Uiso 1 1 calc R U . . .
H50B H 0.799563 0.480838 0.627485 0.205 Uiso 1 1 calc R U . . .
H50C H 0.792880 0.470937 0.680870 0.205 Uiso 1 1 calc R U . . .
C51 C 0.4549(3) 0.36961(12) 0.69910(13) 0.0347(9) Uani 1 1 d . . . . .
C52 C 0.4032(3) 0.33928(12) 0.70913(15) 0.0399(10) Uani 1 1 d . . . . .
C53 C 0.4416(3) 0.30343(13) 0.71754(17) 0.0494(11) Uani 1 1 d . . . . .
H53 H 0.406678 0.282562 0.724293 0.059 Uiso 1 1 calc R U . . .
C54 C 0.5296(3) 0.29823(14) 0.71609(18) 0.0518(12) Uani 1 1 d . . . . .
H54 H 0.554405 0.273714 0.721869 0.062 Uiso 1 1 calc R U . . .
C55 C 0.5829(3) 0.32804(13) 0.70636(16) 0.0458(11) Uani 1 1 d . . . . .
C56 C 0.5441(3) 0.36350(13) 0.69822(15) 0.0400(10) Uani 1 1 d . . . . .
H56 H 0.579579 0.384316 0.691841 0.048 Uiso 1 1 calc R U . . .
C57 C 0.6818(3) 0.32332(15) 0.70475(19) 0.0572(13) Uani 1 1 d . . . . .
C58 C 0.7344(4) 0.3543(2) 0.7333(3) 0.101(3) Uani 1 1 d . . . . .
H58A H 0.725374 0.352552 0.766060 0.152 Uiso 1 1 calc R U . . .
H58B H 0.796876 0.351155 0.731394 0.152 Uiso 1 1 calc R U . . .
H58C H 0.714769 0.379240 0.720754 0.152 Uiso 1 1 calc R U . . .
C59 C 0.6955(5) 0.3259(3) 0.6544(3) 0.134(4) Uani 1 1 d . . . . .
H59A H 0.672413 0.350171 0.641222 0.201 Uiso 1 1 calc R U . . .
H59B H 0.758314 0.324344 0.652625 0.201 Uiso 1 1 calc R U . . .
H59C H 0.664677 0.305031 0.636587 0.201 Uiso 1 1 calc R U . . .
C60 C 0.7174(4) 0.2858(2) 0.7259(3) 0.093(2) Uani 1 1 d . . . . .
H60A H 0.708104 0.284410 0.758619 0.140 Uiso 1 1 calc R U . . .
H60B H 0.686607 0.264762 0.708249 0.140 Uiso 1 1 calc R U . . .
H60C H 0.780244 0.284075 0.724288 0.140 Uiso 1 1 calc R U . . .
C61 C 0.2843(2) 0.62733(11) 0.66158(13) 0.0317(8) Uani 1 1 d . . . . .
C62 C 0.2773(3) 0.63571(11) 0.70832(14) 0.0353(9) Uani 1 1 d . . . . .
C63 C 0.3058(3) 0.67142(13) 0.72599(16) 0.0491(12) Uani 1 1 d . . . . .
H63 H 0.301879 0.677689 0.757575 0.059 Uiso 1 1 calc R U . . .
C64 C 0.3396(3) 0.69751(14) 0.69787(17) 0.0534(12) Uani 1 1 d . . . . .
H64 H 0.358181 0.721509 0.710641 0.064 Uiso 1 1 calc R U . . .
C65 C 0.3473(3) 0.68975(12) 0.65118(16) 0.0445(11) Uani 1 1 d . . . . .
C66 C 0.3185(3) 0.65429(12) 0.63372(15) 0.0390(9) Uani 1 1 d . . . . .
H66 H 0.322224 0.648270 0.602038 0.047 Uiso 1 1 calc R U . . .
C67 C 0.3831(3) 0.71914(13) 0.62032(17) 0.0543(13) Uani 1 1 d D . . . .
C68 C 0.3892(8) 0.7032(3) 0.5703(3) 0.057(3) Uani 0.502(12) 1 d D . P A 1
H68A H 0.331481 0.693966 0.555868 0.085 Uiso 0.502(12) 1 calc R U P A 1
H68B H 0.408459 0.723413 0.550934 0.085 Uiso 0.502(12) 1 calc R U P A 1
H68C H 0.431517 0.682312 0.572901 0.085 Uiso 0.502(12) 1 calc R U P A 1
C69 C 0.4681(8) 0.7330(4) 0.6422(5) 0.095(6) Uani 0.502(12) 1 d D . P A 1
H69A H 0.489788 0.751803 0.621823 0.142 Uiso 0.502(12) 1 calc R U P A 1
H69B H 0.462565 0.744729 0.672384 0.142 Uiso 0.502(12) 1 calc R U P A 1
H69C H 0.509516 0.711760 0.647328 0.142 Uiso 0.502(12) 1 calc R U P A 1
C70 C 0.3142(8) 0.7515(3) 0.6108(5) 0.071(4) Uani 0.502(12) 1 d D . P A 1
H70A H 0.257950 0.740879 0.596063 0.107 Uiso 0.502(12) 1 calc R U P A 1
H70B H 0.306780 0.763587 0.640489 0.107 Uiso 0.502(12) 1 calc R U P A 1
H70C H 0.334316 0.770316 0.589932 0.107 Uiso 0.502(12) 1 calc R U P A 1
C69' C 0.4136(10) 0.7565(3) 0.6480(4) 0.077(5) Uani 0.498(12) 1 d D . P A 2
H69D H 0.455338 0.750031 0.675934 0.115 Uiso 0.498(12) 1 calc R U P A 2
H69E H 0.441822 0.773364 0.627869 0.115 Uiso 0.498(12) 1 calc R U P A 2
H69F H 0.362540 0.769212 0.657329 0.115 Uiso 0.498(12) 1 calc R U P A 2
C68' C 0.4706(9) 0.7034(3) 0.6068(6) 0.097(7) Uani 0.498(12) 1 d D . P A 2
H68D H 0.511370 0.697558 0.635375 0.145 Uiso 0.498(12) 1 calc R U P A 2
H68E H 0.458478 0.680355 0.588075 0.145 Uiso 0.498(12) 1 calc R U P A 2
H68F H 0.496779 0.722554 0.588607 0.145 Uiso 0.498(12) 1 calc R U P A 2
C70' C 0.3218(10) 0.7281(4) 0.5792(5) 0.109(8) Uani 0.498(12) 1 d D . P A 2
H70D H 0.347532 0.746985 0.560528 0.163 Uiso 0.498(12) 1 calc R U P A 2
H70E H 0.308065 0.705016 0.560536 0.163 Uiso 0.498(12) 1 calc R U P A 2
H70F H 0.267857 0.738236 0.588454 0.163 Uiso 0.498(12) 1 calc R U P A 2
C71 C 0.1300(3) 0.58084(12) 0.63535(13) 0.0345(9) Uani 1 1 d . . . . .
C72 C 0.0881(3) 0.54577(12) 0.62332(13) 0.0356(9) Uani 1 1 d . . . . .
C73 C -0.0040(3) 0.54556(14) 0.61391(15) 0.0433(10) Uani 1 1 d . . . . .
H73 H -0.033945 0.522318 0.606330 0.052 Uiso 1 1 calc R U . . .
C74 C -0.0515(3) 0.57837(14) 0.61546(15) 0.0449(11) Uani 1 1 d . . . . .
H74 H -0.113639 0.577297 0.608332 0.054 Uiso 1 1 calc R U . . .
C75 C -0.0109(3) 0.61350(13) 0.62729(15) 0.0428(10) Uani 1 1 d . . . . .
C76 C 0.0806(3) 0.61376(13) 0.63729(14) 0.0389(9) Uani 1 1 d . . . . .
H76 H 0.109937 0.637015 0.645653 0.047 Uiso 1 1 calc R U . . .
C77 C -0.0643(3) 0.65041(15) 0.62715(19) 0.0571(13) Uani 1 1 d . . . . .
C78 C -0.0718(11) 0.6675(4) 0.5810(4) 0.278(12) Uani 1 1 d . . . . .
H78A H -0.013078 0.672239 0.573298 0.417 Uiso 1 1 calc R U . . .
H78B H -0.103600 0.650261 0.557768 0.417 Uiso 1 1 calc R U . . .
H78C H -0.103782 0.691520 0.580818 0.417 Uiso 1 1 calc R U . . .
C79 C -0.1518(6) 0.6438(2) 0.6375(5) 0.176(6) Uani 1 1 d . . . . .
H79A H -0.148194 0.632212 0.668591 0.264 Uiso 1 1 calc R U . . .
H79B H -0.183336 0.667920 0.637010 0.264 Uiso 1 1 calc R U . . .
H79C H -0.183154 0.626661 0.613960 0.264 Uiso 1 1 calc R U . . .
C80 C -0.0225(7) 0.6776(3) 0.6619(6) 0.265(11) Uani 1 1 d . . . . .
H80A H 0.037227 0.682848 0.656019 0.397 Uiso 1 1 calc R U . . .
H80B H -0.056439 0.701174 0.659516 0.397 Uiso 1 1 calc R U . . .
H80C H -0.020322 0.666886 0.693337 0.397 Uiso 1 1 calc R U . . .
C81 C 0.2679(3) 0.57858(12) 0.58069(13) 0.0335(8) Uani 1 1 d . . . . .
C91 C 0.0800(3) 0.57552(11) 0.87406(13) 0.0318(8) Uani 1 1 d . . . . .
C82 C 0.3412(3) 0.56153(12) 0.56657(14) 0.0401(10) Uani 1 1 d . . . . .
C92 C 0.0545(2) 0.53712(11) 0.87834(13) 0.0317(8) Uani 1 1 d . . . . .
C93 C -0.0182(3) 0.53081(13) 0.90070(14) 0.0410(10) Uani 1 1 d . . . . .
H93 H -0.034721 0.505534 0.906706 0.049 Uiso 1 1 calc R U . . .
C83 C 0.3527(3) 0.56442(14) 0.51982(16) 0.0496(11) Uani 1 1 d . . . . .
H83 H 0.402131 0.552807 0.509766 0.059 Uiso 1 1 calc R U . . .
C84 C 0.2937(3) 0.58374(15) 0.48814(15) 0.0527(12) Uani 1 1 d . . . . .
H84 H 0.303902 0.585318 0.456595 0.063 Uiso 1 1 calc R U . . .
C94 C -0.0671(3) 0.56085(13) 0.91435(15) 0.0424(10) Uani 1 1 d . . . . .
H94 H -0.116407 0.555364 0.929248 0.051 Uiso 1 1 calc R U . . .
C85 C 0.2195(3) 0.60116(14) 0.50029(15) 0.0463(11) Uani 1 1 d . . . . .
C95 C -0.0466(3) 0.59864(13) 0.90706(14) 0.0399(10) Uani 1 1 d . . . . .
C96 C 0.0298(3) 0.60498(12) 0.88784(13) 0.0361(9) Uani 1 1 d . . . . .
H96 H 0.048207 0.630353 0.884038 0.043 Uiso 1 1 calc R U . . .
C86 C 0.2082(3) 0.59794(12) 0.54720(14) 0.0393(9) Uani 1 1 d . . . . .
H86 H 0.158055 0.609298 0.556874 0.047 Uiso 1 1 calc R U . . .
C97 C -0.1037(3) 0.63256(15) 0.91725(17) 0.0504(12) Uani 1 1 d . . . . .
C87 C 0.1543(3) 0.62335(16) 0.46437(16) 0.0540(12) Uani 1 1 d . . . . .
C100 C -0.0495(4) 0.66106(15) 0.94947(19) 0.0588(13) Uani 1 1 d . . . . .
H10D H 0.000509 0.669563 0.934938 0.088 Uiso 1 1 calc R U . . .
H10E H -0.086136 0.682910 0.954538 0.088 Uiso 1 1 calc R U . . .
H10F H -0.028085 0.648959 0.979583 0.088 Uiso 1 1 calc R U . . .
C88 C 0.0754(4) 0.6380(3) 0.4855(2) 0.100(3) Uani 1 1 d . . . . .
H88A H 0.044062 0.616549 0.496706 0.150 Uiso 1 1 calc R U . . .
H88B H 0.095863 0.655014 0.511734 0.150 Uiso 1 1 calc R U . . .
H88C H 0.035908 0.651876 0.461545 0.150 Uiso 1 1 calc R U . . .
C99 C -0.1812(3) 0.61979(17) 0.9408(2) 0.0644(15) Uani 1 1 d . . . . .
H99A H -0.216741 0.601478 0.920600 0.097 Uiso 1 1 calc R U . . .
H99B H -0.159186 0.607879 0.970946 0.097 Uiso 1 1 calc R U . . .
H99C H -0.217237 0.641830 0.945901 0.097 Uiso 1 1 calc R U . . .
C89 C 0.2022(4) 0.65664(19) 0.4472(2) 0.083(2) Uani 1 1 d . . . . .
H89A H 0.225508 0.672805 0.473797 0.125 Uiso 1 1 calc R U . . .
H89B H 0.250673 0.647365 0.431956 0.125 Uiso 1 1 calc R U . . .
H89C H 0.161562 0.671343 0.424697 0.125 Uiso 1 1 calc R U . . .
C98 C -0.1384(4) 0.65249(17) 0.87090(19) 0.0667(16) Uani 1 1 d . . . . .
H98A H -0.173353 0.634591 0.849804 0.100 Uiso 1 1 calc R U . . .
H98B H -0.175087 0.674067 0.876967 0.100 Uiso 1 1 calc R U . . .
H98C H -0.088912 0.661543 0.856330 0.100 Uiso 1 1 calc R U . . .
C90 C 0.1169(5) 0.5974(2) 0.4238(2) 0.094(2) Uani 1 1 d . . . . .
H90A H 0.086241 0.576051 0.435792 0.140 Uiso 1 1 calc R U . . .
H90B H 0.075720 0.611705 0.401123 0.140 Uiso 1 1 calc R U . . .
H90C H 0.164831 0.587727 0.408381 0.140 Uiso 1 1 calc R U . . .
C101 C 0.2661(3) 0.56524(11) 0.89299(13) 0.0303(8) Uani 1 1 d . . . . .
C102 C 0.3513(3) 0.56259(11) 0.87958(13) 0.0318(8) Uani 1 1 d . . . . .
C103 C 0.4178(3) 0.54703(13) 0.91291(15) 0.0395(10) Uani 1 1 d . . . . .
H103 H 0.474749 0.543540 0.904936 0.047 Uiso 1 1 calc R U . . .
C104 C 0.4020(3) 0.53671(13) 0.95707(14) 0.0411(10) Uani 1 1 d . . . . .
H104 H 0.448975 0.526632 0.978659 0.049 Uiso 1 1 calc R U . . .
C105 C 0.3199(3) 0.54048(12) 0.97119(13) 0.0340(9) Uani 1 1 d . . . . .
C106 C 0.2535(3) 0.55442(11) 0.93773(13) 0.0322(8) Uani 1 1 d . . . . .
H106 H 0.196357 0.556705 0.945826 0.039 Uiso 1 1 calc R U . . .
C107 C 0.3026(3) 0.53222(14) 1.02136(14) 0.0423(10) Uani 1 1 d . . . . .
C108 C 0.2201(4) 0.50918(17) 1.02120(17) 0.0617(14) Uani 1 1 d . . . . .
H10G H 0.171015 0.521908 1.001783 0.093 Uiso 1 1 calc R U . . .
H10H H 0.228307 0.483917 1.008417 0.093 Uiso 1 1 calc R U . . .
H10I H 0.207517 0.506771 1.053290 0.093 Uiso 1 1 calc R U . . .
C109 C 0.2884(4) 0.57128(16) 1.04381(17) 0.0595(13) Uani 1 1 d . . . . .
H10J H 0.341175 0.586846 1.044349 0.089 Uiso 1 1 calc R U . . .
H10K H 0.238342 0.584138 1.025371 0.089 Uiso 1 1 calc R U . . .
H10L H 0.276735 0.567515 1.075888 0.089 Uiso 1 1 calc R U . . .
C110 C 0.3804(4) 0.51362(17) 1.05097(17) 0.0589(13) Uani 1 1 d . . . . .
H11A H 0.432872 0.529182 1.050396 0.088 Uiso 1 1 calc R U . . .
H11B H 0.368998 0.511240 1.083281 0.088 Uiso 1 1 calc R U . . .
H11C H 0.389788 0.488385 1.038409 0.088 Uiso 1 1 calc R U . . .
C111 C 0.1962(3) 0.63451(11) 0.85177(13) 0.0335(9) Uani 1 1 d . . . . .
C112 C 0.1602(3) 0.65811(12) 0.81469(14) 0.0356(9) Uani 1 1 d . . . . .
C113 C 0.1641(3) 0.69713(13) 0.82072(16) 0.0450(10) Uani 1 1 d . . . . .
H113 H 0.139872 0.713295 0.795758 0.054 Uiso 1 1 calc R U . . .
C114 C 0.2028(3) 0.71265(13) 0.86256(16) 0.0511(12) Uani 1 1 d . . . . .
H114 H 0.203876 0.739446 0.865973 0.061 Uiso 1 1 calc R U . . .
C115 C 0.2408(3) 0.69002(13) 0.90042(16) 0.0497(11) Uani 1 1 d . . . . .
C116 C 0.2360(3) 0.65109(13) 0.89385(15) 0.0423(10) Uani 1 1 d . . . . .
H116 H 0.260602 0.635010 0.918812 0.051 Uiso 1 1 calc R U . . .
C117 C 0.2814(5) 0.70849(16) 0.94661(19) 0.0797(19) Uani 1 1 d . . . . .
C119 C 0.2056(7) 0.7299(2) 0.9668(3) 0.127(3) Uani 1 1 d . . . . .
H11D H 0.160192 0.711645 0.972139 0.190 Uiso 1 1 calc R U . . .
H11E H 0.229467 0.742110 0.996472 0.190 Uiso 1 1 calc R U . . .
H11F H 0.179982 0.749138 0.944352 0.190 Uiso 1 1 calc R U . . .
C120 C 0.3477(7) 0.7372(2) 0.9393(3) 0.135(4) Uani 1 1 d . . . . .
H12A H 0.320957 0.756190 0.916704 0.203 Uiso 1 1 calc R U . . .
H12B H 0.369473 0.749693 0.969129 0.203 Uiso 1 1 calc R U . . .
H12C H 0.396561 0.724912 0.927203 0.203 Uiso 1 1 calc R U . . .
C118 C 0.3236(6) 0.67911(19) 0.9818(2) 0.105(3) Uani 1 1 d . . . . .
H11G H 0.279951 0.659958 0.986804 0.158 Uiso 1 1 calc R U . . .
H11H H 0.372521 0.666866 0.969662 0.158 Uiso 1 1 calc R U . . .
H11I H 0.345432 0.691647 1.011588 0.158 Uiso 1 1 calc R U . . .
C200 C 0.5675(5) 0.3756(2) 0.8618(3) 0.097(3) Uani 1 1 d . . . . .
H20D H 0.611030 0.368589 0.889330 0.116 Uiso 1 1 calc R U . B 1
H20E H 0.510627 0.364444 0.866661 0.116 Uiso 1 1 calc R U . B 1
C201 C 0.5909(7) 0.3597(3) 0.8253(4) 0.078(3) Uani 0.680(13) 1 d . . P C 1
H20F H 0.594665 0.332203 0.830031 0.118 Uiso 0.680(13) 1 calc R U P C 1
H20G H 0.547410 0.365377 0.797774 0.118 Uiso 0.680(13) 1 calc R U P C 1
H20H H 0.648231 0.369539 0.820537 0.118 Uiso 0.680(13) 1 calc R U P C 1
C301 C 0.5767(15) 0.3503(6) 0.8915(9) 0.093(8) Uani 0.320(13) 1 d . . P C 2
H30D H 0.580353 0.325717 0.876054 0.139 Uiso 0.320(13) 1 calc R U P C 2
H30E H 0.630713 0.354717 0.913461 0.139 Uiso 0.320(13) 1 calc R U P C 2
H30F H 0.526469 0.350314 0.908501 0.139 Uiso 0.320(13) 1 calc R U P C 2
C202 C 0.1114(4) 0.46047(15) 0.51409(17) 0.0558(12) Uani 1 1 d . . . . .
H20I H 0.072000 0.447074 0.489089 0.067 Uiso 1 1 calc R U . . .
H20J H 0.164796 0.444830 0.522384 0.067 Uiso 1 1 calc R U . . .
C205 C 0.1571(4) 0.39389(16) 0.6372(2) 0.0663(14) Uani 1 1 d D . . . .
H20K H 0.099859 0.386768 0.646118 0.080 Uiso 1 1 calc R U . D 1
H20L H 0.203545 0.386031 0.662898 0.080 Uiso 1 1 calc R U . D 1
C206 C 0.1693(4) 0.37260(19) 0.5930(3) 0.057(2) Uani 0.774(11) 1 d . . P E 1
H20M H 0.166563 0.345251 0.598688 0.085 Uiso 0.774(11) 1 calc R U P E 1
H20N H 0.122721 0.379757 0.567563 0.085 Uiso 0.774(11) 1 calc R U P E 1
H20O H 0.226472 0.379019 0.584355 0.085 Uiso 0.774(11) 1 calc R U P E 1
C306 C 0.1928(12) 0.3559(4) 0.6357(6) 0.040(6) Uani 0.226(11) 1 d D . P E 2
H30G H 0.150720 0.337510 0.644723 0.060 Uiso 0.226(11) 1 calc R U P E 2
H30H H 0.203878 0.350307 0.603938 0.060 Uiso 0.226(11) 1 calc R U P E 2
H30I H 0.247882 0.354192 0.657584 0.060 Uiso 0.226(11) 1 calc R U P E 2
C207 C -0.1587(4) 0.4711(2) 0.8167(2) 0.0737(17) Uani 1 1 d . . . . .
H20P H -0.204981 0.489115 0.822595 0.088 Uiso 1 1 calc R U . . .
H20Q H -0.107504 0.474797 0.841467 0.088 Uiso 1 1 calc R U . . .
C208 C -0.1918(5) 0.4316(2) 0.8193(3) 0.088(2) Uani 1 1 d . . . . .
H20R H -0.208278 0.427239 0.850284 0.132 Uiso 1 1 calc R U . . .
H20S H -0.243199 0.428019 0.795217 0.132 Uiso 1 1 calc R U . . .
H20T H -0.145767 0.413708 0.814081 0.132 Uiso 1 1 calc R U . . .
O1 O 0.19482(16) 0.43971(7) 0.83180(9) 0.0300(5) Uani 1 1 d . . . . .
O2 O 0.29881(17) 0.38332(7) 0.78558(9) 0.0342(6) Uani 1 1 d . . . . .
O3 O 0.02288(17) 0.44837(8) 0.77417(10) 0.0357(6) Uani 1 1 d . . . . .
O4 O 0.13623(19) 0.45545(8) 0.92287(10) 0.0408(7) Uani 1 1 d . . . . .
H4A H 0.170096 0.455201 0.902716 0.061 Uiso 1 1 calc R U . . .
O5 O 0.33045(16) 0.42609(7) 0.70252(9) 0.0309(6) Uani 1 1 d . . . . .
O6 O 0.33615(17) 0.48059(8) 0.62449(9) 0.0338(6) Uani 1 1 d . . . . .
O7 O 0.47622(17) 0.44063(8) 0.77965(9) 0.0342(6) Uani 1 1 d . . . . .
O8 O 0.31522(19) 0.34235(8) 0.71102(11) 0.0429(7) Uani 1 1 d . . . . .
H8 H 0.299018 0.364826 0.705281 0.064 Uiso 1 1 calc R U . . .
O9 O 0.29107(16) 0.55044(7) 0.67164(9) 0.0301(6) Uani 1 1 d . . . . .
O10 O 0.24435(18) 0.61031(7) 0.73543(9) 0.0344(6) Uani 1 1 d . . . . .
O11 O 0.13465(17) 0.51423(8) 0.62058(9) 0.0343(6) Uani 1 1 d . . . . .
O12 O 0.40323(19) 0.54232(9) 0.59671(10) 0.0420(7) Uani 1 1 d . . . . .
H12 H 0.389442 0.542584 0.623721 0.063 Uiso 1 1 calc R U . . .
O13 O 0.17572(16) 0.56550(7) 0.80373(8) 0.0301(6) Uani 1 1 d . . . . .
O14 O 0.09910(17) 0.50871(8) 0.86225(9) 0.0333(6) Uani 1 1 d . . . . .
O15 O 0.36635(17) 0.57364(8) 0.83761(9) 0.0343(6) Uani 1 1 d . . . . .
O16 O 0.11936(19) 0.64435(8) 0.77263(10) 0.0412(7) Uani 1 1 d . . . . .
H16A H 0.120918 0.620540 0.773050 0.062 Uiso 1 1 calc R U . . .
O17 O 0.19248(15) 0.45410(7) 0.73772(8) 0.0271(5) Uani 1 1 d . . . . .
H17 H 0.159678 0.429988 0.729354 0.033 Uiso 1 1 calc R U . . .
O18 O 0.27823(16) 0.50172(7) 0.81108(9) 0.0294(5) Uani 1 1 d . . . . .
H18 H 0.296266 0.506014 0.845410 0.035 Uiso 1 1 calc R U . . .
O19 O 0.17088(15) 0.52539(7) 0.72543(8) 0.0272(5) Uani 1 1 d . . . . .
H19 H 0.126476 0.543458 0.709050 0.033 Uiso 1 1 calc R U . . .
O20 O 0.35013(16) 0.49870(7) 0.73664(8) 0.0289(5) Uani 1 1 d . . . . .
H20 H 0.409731 0.500373 0.727208 0.035 Uiso 1 1 calc R U . . .
O21 O 0.39353(18) 0.43953(9) 0.86320(9) 0.0415(8) Uani 1 1 d . . . . .
H21A H 0.39358(18) 0.4239(9) 0.8732(6) 0.050 Uiso 1 1 calc R U . . .
H21B H 0.4101(10) 0.4536(8) 0.8741(6) 0.050 Uiso 1 1 calc R U . . .
O22 O 0.16018(18) 0.43390(8) 0.63204(10) 0.0391(6) Uani 1 1 d . . . . .
H22 H 0.122191 0.442363 0.605016 0.047 Uiso 1 1 calc R U . . .
O23 O -0.00583(17) 0.52941(8) 0.76522(10) 0.0377(6) Uani 1 1 d . . . . .
H23A H -0.056204 0.514451 0.767503 0.045 Uiso 1 1 calc R U . . .
O25 O 0.5586(2) 0.41512(10) 0.86142(11) 0.0548(8) Uani 1 1 d . . . . .
H25 H 0.551685 0.422957 0.833652 0.082 Uiso 1 1 calc R U . . .
O27 O 0.0682(2) 0.46418(10) 0.55446(10) 0.0493(8) Uani 1 1 d . . . . .
H27 H 0.087770 0.483293 0.569990 0.074 Uiso 1 1 calc R U . . .
O29 O -0.1339(2) 0.47903(10) 0.77253(14) 0.0597(9) Uani 1 1 d . . . . .
H29 H -0.094199 0.463936 0.767572 0.090 Uiso 1 1 calc R U . . .
P1 P 0.15217(6) 0.40129(3) 0.83546(3) 0.0315(2) Uani 1 1 d . . . . .
P2 P 0.41243(6) 0.41627(3) 0.68214(3) 0.0300(2) Uani 1 1 d . . . . .
P3 P 0.24720(6) 0.58180(3) 0.64018(3) 0.0313(2) Uani 1 1 d . . . . .
P4 P 0.17971(6) 0.58395(3) 0.85150(3) 0.0297(2) Uani 1 1 d . . . . .
Dy1 Dy 0.12614(2) 0.49455(2) 0.78882(2) 0.02844(6) Uani 1 1 d . . . . .
Dy2 Dy 0.33064(2) 0.44544(2) 0.78425(2) 0.02832(6) Uani 1 1 d . . . . .
Dy3 Dy 0.23633(2) 0.48538(2) 0.67392(2) 0.02873(6) Uani 1 1 d . . . . .
Dy4 Dy 0.30067(2) 0.55522(2) 0.76418(2) 0.02884(6) Uani 1 1 d . . . . .
C212 C 0.2843(11) 0.2196(5) 0.7794(5) 0.145(6) Uani 0.7 1 d D . P . .
H21C H 0.221458 0.217641 0.780956 0.217 Uiso 0.7 1 calc R U P . .
H21D H 0.317562 0.206042 0.805985 0.217 Uiso 0.7 1 calc R U P . .
H21E H 0.301702 0.246349 0.780657 0.217 Uiso 0.7 1 calc R U P . .
C211 C 0.3034(11) 0.2020(6) 0.7336(8) 0.282(18) Uani 0.7 1 d D . P . .
H21F H 0.291442 0.174463 0.731047 0.339 Uiso 0.7 1 calc R U P . .
H21G H 0.275268 0.215568 0.705218 0.339 Uiso 0.7 1 calc R U P . .
O500 O 0.3951(10) 0.2112(5) 0.7472(6) 0.227(8) Uani 0.7 1 d D . P . .
H500 H 0.410799 0.205423 0.775398 0.341 Uiso 0.7 1 calc R U P . .
O60 O 0.3158(2) 0.43817(11) 0.93957(12) 0.0585(9) Uani 0.95 1 d . . P . .
H60 H 0.265736 0.447604 0.939120 0.088 Uiso 0.95 1 calc R U P . .
C400 C 0.3313(4) 0.41058(17) 0.97576(18) 0.0600(14) Uani 0.95 1 d . . P . .
H40D H 0.286410 0.390369 0.970292 0.072 Uiso 0.95 1 calc R U P . .
H40E H 0.327596 0.422533 1.006396 0.072 Uiso 0.95 1 calc R U P . .
C401 C 0.4191(4) 0.3942(2) 0.9761(3) 0.0792(19) Uani 0.95 1 d . . P . .
H40F H 0.430300 0.375179 1.000978 0.119 Uiso 0.95 1 calc R U P . .
H40G H 0.422163 0.382291 0.945787 0.119 Uiso 0.95 1 calc R U P . .
H40H H 0.463229 0.414362 0.981786 0.119 Uiso 0.95 1 calc R U P . .
C280 C -0.0296(3) 0.56693(13) 0.74848(16) 0.0436(10) Uani 1 1 d . . . . .
H28G H -0.046666 0.566224 0.714043 0.052 Uiso 1 1 calc R U . . .
H28H H 0.021863 0.583881 0.755683 0.052 Uiso 1 1 calc R U . . .
O24 O 0.43776(18) 0.57737(9) 0.74986(10) 0.0393(6) Uani 1 1 d . . . F 1
H24A H 0.436192 0.604419 0.758866 0.047 Uiso 1 1 calc R U . F 1
H24B H 0.478696 0.565300 0.775339 0.047 Uiso 1 1 calc R U . F 1
C600 C 0.4874(9) 0.5783(4) 0.7129(4) 0.033(3) Uani 0.31 1 d . . P F 1
H60D H 0.449038 0.570861 0.683678 0.039 Uiso 0.31 1 calc R U P F 1
H60E H 0.534673 0.559171 0.719136 0.039 Uiso 0.31 1 calc R U P F 1
C608 C 0.5288(10) 0.6169(5) 0.7052(6) 0.053(4) Uani 0.31 1 d . . P F 1
H60F H 0.561995 0.615065 0.678994 0.079 Uiso 0.31 1 calc R U P F 1
H60G H 0.482477 0.635966 0.698114 0.079 Uiso 0.31 1 calc R U P F 1
H60H H 0.568274 0.624254 0.733638 0.079 Uiso 0.31 1 calc R U P F 1
O24X O 0.5038(3) 0.57736(16) 0.67057(18) 0.0619(13) Uani 0.69 1 d . . P G 2
H24X H 0.476375 0.563857 0.649236 0.093 Uiso 0.69 1 calc R U P G 2
C603 C 0.5369(6) 0.6098(3) 0.6506(4) 0.082(3) Uani 0.69 1 d . . P G 2
H60I H 0.487922 0.624998 0.633910 0.099 Uiso 0.69 1 calc R U P G 2
H60J H 0.575371 0.602109 0.627833 0.099 Uiso 0.69 1 calc R U P G 2
C601 C 0.5875(11) 0.6329(4) 0.6884(6) 0.150(6) Uani 0.69 1 d . . P G 2
H60K H 0.610677 0.655468 0.674817 0.225 Uiso 0.69 1 calc R U P G 2
H60L H 0.548958 0.640612 0.710737 0.225 Uiso 0.69 1 calc R U P G 2
H60M H 0.636166 0.617787 0.704677 0.225 Uiso 0.69 1 calc R U P G 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
C1 C6 1.402(6) . ?
C1 C2 1.409(5) . ?
C1 P1 1.786(4) . ?
C2 O2 1.340(5) . ?
C2 C3 1.396(6) . ?
C3 C4 1.381(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.403(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.383(6) . ?
C5 C7 1.530(6) . ?
C6 H6 0.9500 . ?
C7 C10 1.530(7) . ?
C7 C8 1.532(8) . ?
C7 C9 1.533(8) . ?
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 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C16 1.387(6) . ?
C11 C12 1.411(6) . ?
C11 P1 1.792(4) . ?
C12 O3 1.335(5) . ?
C12 C13 1.403(6) . ?
C13 C14 1.387(6) . ?
C13 H13 0.9500 . ?
C14 C15 1.400(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.392(6) . ?
C15 C17 1.537(6) . ?
C16 H16 0.9500 . ?
C17 C19 1.521(7) . ?
C17 C18 1.531(7) . ?
C17 C20 1.543(7) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.404(6) . ?
C21 C26 1.405(6) . ?
C21 P1 1.802(4) . ?
C22 O4 1.367(6) . ?
C22 C23 1.394(6) . ?
C23 C24 1.374(8) . ?
C23 H23 0.9500 . ?
C24 C25 1.399(8) . ?
C24 H24 0.9500 . ?
C25 C26 1.389(6) . ?
C25 C27 1.528(7) . ?
C26 H26 0.9500 . ?
C27 C30 1.473(9) . ?
C27 C28 1.473(11) . ?
C27 C29 1.479(9) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C281 C280 1.499(6) . ?
C281 H28D 0.9800 . ?
C281 H28E 0.9800 . ?
C281 H28F 0.9800 . ?
C31 C36 1.399(5) . ?
C31 C32 1.417(6) . ?
C31 P2 1.782(4) . ?
C32 O6 1.333(5) . ?
C32 C33 1.396(6) . ?
C33 C34 1.375(6) . ?
C33 H33 0.9500 . ?
C34 C35 1.390(7) . ?
C34 H34 0.9500 . ?
C35 C36 1.395(6) . ?
C35 C37 1.530(6) . ?
C36 H36 0.9500 . ?
C37 C40 1.490(9) . ?
C37 C38 1.504(8) . ?
C37 C39 1.544(10) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C039 C202 1.505(7) . ?
C039 H03A 0.9800 . ?
C039 H03B 0.9800 . ?
C039 H03C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C46 1.396(5) . ?
C41 C42 1.400(6) . ?
C41 P2 1.788(4) . ?
C42 O7 1.336(5) . ?
C42 C43 1.407(6) . ?
C43 C44 1.377(6) . ?
C43 H43 0.9500 . ?
C44 C45 1.397(6) . ?
C44 H44 0.9500 . ?
C45 C46 1.388(6) . ?
C45 C47 1.550(6) . ?
C46 H46 0.9500 . ?
C47 C49 1.495(9) . ?
C47 C48 1.502(8) . ?
C47 C50 1.523(9) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 C52 1.391(6) . ?
C51 C56 1.398(6) . ?
C51 P2 1.811(4) . ?
C52 O8 1.371(5) . ?
C52 C53 1.401(6) . ?
C53 C54 1.376(7) . ?
C53 H53 0.9500 . ?
C54 C55 1.390(7) . ?
C54 H54 0.9500 . ?
C55 C56 1.391(6) . ?
C55 C57 1.544(7) . ?
C56 H56 0.9500 . ?
C57 C59 1.504(8) . ?
C57 C60 1.524(8) . ?
C57 C58 1.527(9) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 C66 1.400(6) . ?
C61 C62 1.403(5) . ?
C61 P3 1.783(4) . ?
C62 O10 1.341(5) . ?
C62 C63 1.404(6) . ?
C63 C64 1.381(6) . ?
C63 H63 0.9500 . ?
C64 C65 1.400(6) . ?
C64 H64 0.9500 . ?
C65 C66 1.395(6) . ?
C65 C67 1.524(6) . ?
C66 H66 0.9500 . ?
C67 C70' 1.436(12) . ?
C67 C69 1.452(11) . ?
C67 C70 1.554(10) . ?
C67 C68' 1.563(11) . ?
C67 C68 1.566(10) . ?
C67 C69' 1.574(10) . ?
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 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C69' H69D 0.9800 . ?
C69' H69E 0.9800 . ?
C69' H69F 0.9800 . ?
C68' H68D 0.9800 . ?
C68' H68E 0.9800 . ?
C68' H68F 0.9800 . ?
C70' H70D 0.9800 . ?
C70' H70E 0.9800 . ?
C70' H70F 0.9800 . ?
C71 C76 1.395(6) . ?
C71 C72 1.414(6) . ?
C71 P3 1.792(4) . ?
C72 O11 1.332(5) . ?
C72 C73 1.406(6) . ?
C73 C74 1.374(6) . ?
C73 H73 0.9500 . ?
C74 C75 1.407(7) . ?
C74 H74 0.9500 . ?
C75 C76 1.397(6) . ?
C75 C77 1.540(6) . ?
C76 H76 0.9500 . ?
C77 C79 1.446(9) . ?
C77 C78 1.452(10) . ?
C77 C80 1.464(11) . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C81 C82 1.396(6) . ?
C81 C86 1.406(6) . ?
C81 P3 1.799(4) . ?
C91 C96 1.389(5) . ?
C91 C92 1.420(6) . ?
C91 P4 1.786(4) . ?
C82 O12 1.371(5) . ?
C82 C83 1.393(6) . ?
C92 O14 1.338(5) . ?
C92 C93 1.396(5) . ?
C93 C94 1.392(6) . ?
C93 H93 0.9500 . ?
C83 C84 1.369(7) . ?
C83 H83 0.9500 . ?
C84 C85 1.391(7) . ?
C84 H84 0.9500 . ?
C94 C95 1.393(6) . ?
C94 H94 0.9500 . ?
C85 C86 1.398(6) . ?
C85 C87 1.543(7) . ?
C95 C96 1.396(6) . ?
C95 C97 1.541(6) . ?
C96 H96 0.9500 . ?
C86 H86 0.9500 . ?
C97 C100 1.529(7) . ?
C97 C99 1.531(7) . ?
C97 C98 1.535(7) . ?
C87 C89 1.511(8) . ?
C87 C90 1.530(8) . ?
C87 C88 1.533(8) . ?
C100 H10D 0.9800 . ?
C100 H10E 0.9800 . ?
C100 H10F 0.9800 . ?
C88 H88A 0.9800 . ?
C88 H88B 0.9800 . ?
C88 H88C 0.9800 . ?
C99 H99A 0.9800 . ?
C99 H99B 0.9800 . ?
C99 H99C 0.9800 . ?
C89 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 H89C 0.9800 . ?
C98 H98A 0.9800 . ?
C98 H98B 0.9800 . ?
C98 H98C 0.9800 . ?
C90 H90A 0.9800 . ?
C90 H90B 0.9800 . ?
C90 H90C 0.9800 . ?
C101 C106 1.390(5) . ?
C101 C102 1.429(5) . ?
C101 P4 1.778(4) . ?
C102 O15 1.328(5) . ?
C102 C103 1.407(6) . ?
C103 C104 1.384(6) . ?
C103 H103 0.9500 . ?
C104 C105 1.395(6) . ?
C104 H104 0.9500 . ?
C105 C106 1.387(6) . ?
C105 C107 1.541(5) . ?
C106 H106 0.9500 . ?
C107 C108 1.510(7) . ?
C107 C110 1.513(7) . ?
C107 C109 1.552(7) . ?
C108 H10G 0.9800 . ?
C108 H10H 0.9800 . ?
C108 H10I 0.9800 . ?
C109 H10J 0.9800 . ?
C109 H10K 0.9800 . ?
C109 H10L 0.9800 . ?
C110 H11A 0.9800 . ?
C110 H11B 0.9800 . ?
C110 H11C 0.9800 . ?
C111 C116 1.403(6) . ?
C111 C112 1.403(6) . ?
C111 P4 1.801(4) . ?
C112 O16 1.369(5) . ?
C112 C113 1.387(6) . ?
C113 C114 1.378(7) . ?
C113 H113 0.9500 . ?
C114 C115 1.408(7) . ?
C114 H114 0.9500 . ?
C115 C116 1.386(6) . ?
C115 C117 1.531(7) . ?
C116 H116 0.9500 . ?
C117 C120 1.478(10) . ?
C117 C118 1.526(9) . ?
C117 C119 1.577(11) . ?
C119 H11D 0.9800 . ?
C119 H11E 0.9800 . ?
C119 H11F 0.9800 . ?
C120 H12A 0.9800 . ?
C120 H12B 0.9800 . ?
C120 H12C 0.9800 . ?
C118 H11G 0.9800 . ?
C118 H11H 0.9800 . ?
C118 H11I 0.9800 . ?
C200 C301 1.229(19) . ?
C200 C201 1.293(11) . ?
C200 O25 1.402(8) . ?
C200 H20D 0.9900 . ?
C200 H20E 0.9900 . ?
C201 H20F 0.9800 . ?
C201 H20G 0.9800 . ?
C201 H20H 0.9800 . ?
C301 H30D 0.9800 . ?
C301 H30E 0.9800 . ?
C301 H30F 0.9800 . ?
C202 O27 1.435(5) . ?
C202 H20I 0.9900 . ?
C202 H20J 0.9900 . ?
C205 O22 1.420(6) . ?
C205 C306 1.452(14) . ?
C205 C206 1.516(8) . ?
C205 H20K 0.9900 . ?
C205 H20L 0.9900 . ?
C206 H20M 0.9800 . ?
C206 H20N 0.9800 . ?
C206 H20O 0.9800 . ?
C306 H30G 0.9800 . ?
C306 H30H 0.9800 . ?
C306 H30I 0.9800 . ?
C207 O29 1.416(7) . ?
C207 C208 1.487(9) . ?
C207 H20P 0.9900 . ?
C207 H20Q 0.9900 . ?
C208 H20R 0.9800 . ?
C208 H20S 0.9800 . ?
C208 H20T 0.9800 . ?
O1 P1 1.517(3) . ?
O1 Dy1 2.450(2) . ?
O1 Dy2 2.683(2) . ?
O2 Dy2 2.247(3) . ?
O3 Dy1 2.272(3) . ?
O4 H4A 0.8400 . ?
O5 P2 1.515(3) . ?
O5 Dy2 2.458(2) . ?
O5 Dy3 2.607(3) . ?
O6 Dy3 2.261(2) . ?
O7 Dy2 2.277(2) . ?
O8 H8 0.8400 . ?
O9 P3 1.523(3) . ?
O9 Dy3 2.449(3) . ?
O9 Dy4 2.661(2) . ?
O10 Dy4 2.236(3) . ?
O11 Dy3 2.266(3) . ?
O12 H12 0.8400 . ?
O13 P4 1.519(3) . ?
O13 Dy4 2.414(2) . ?
O13 Dy1 2.632(3) . ?
O14 Dy1 2.280(2) . ?
O15 Dy4 2.301(3) . ?
O16 H16A 0.8400 . ?
O17 Dy3 2.336(2) . ?
O17 Dy2 2.360(2) . ?
O17 Dy1 2.393(2) . ?
O17 H17 1.0000 . ?
O18 Dy2 2.321(2) . ?
O18 Dy1 2.350(3) . ?
O18 Dy4 2.379(2) . ?
O18 H18 1.0000 . ?
O19 Dy1 2.324(2) . ?
O19 Dy4 2.384(2) . ?
O19 Dy3 2.384(2) . ?
O19 H19 1.0000 . ?
O20 Dy4 2.318(2) . ?
O20 Dy3 2.370(2) . ?
O20 Dy2 2.374(2) . ?
O20 H20 1.0000 . ?
O21 Dy2 2.348(3) . ?
O21 H21A 0.62(3) . ?
O21 H21B 0.62(4) . ?
O22 Dy3 2.389(3) . ?
O22 H22 0.9500 . ?
O23 C280 1.437(5) . ?
O23 Dy1 2.387(3) . ?
O23 H23A 0.9500 . ?
O25 H25 0.8400 . ?
O27 H27 0.8400 . ?
O29 H29 0.8400 . ?
Dy1 Dy4 3.5947(3) . ?
Dy1 Dy2 3.6191(3) . ?
Dy1 Dy3 3.9681(3) . ?
Dy2 Dy3 3.5841(3) . ?
Dy2 Dy4 3.9310(3) . ?
Dy3 Dy4 3.6141(3) . ?
Dy4 O24 2.350(3) . ?
C212 C211 1.531(16) . ?
C212 H21C 0.9800 . ?
C212 H21D 0.9800 . ?
C212 H21E 0.9800 . ?
C211 O500 1.446(5) . ?
C211 H21F 0.9900 . ?
C211 H21G 0.9900 . ?
O500 H500 0.8400 . ?
O60 C400 1.421(6) . ?
O60 H60 0.8400 . ?
C400 C401 1.470(8) . ?
C400 H40D 0.9900 . ?
C400 H40E 0.9900 . ?
C401 H40F 0.9800 . ?
C401 H40G 0.9800 . ?
C401 H40H 0.9800 . ?
C280 H28G 0.9900 . ?
C280 H28H 0.9900 . ?
O24 C600 1.405(12) . ?
O24 H24A 0.9900 . ?
O24 H24B 0.9900 . ?
C600 C608 1.534(19) . ?
C600 H60D 0.9900 . ?
C600 H60E 0.9900 . ?
C608 H60F 0.9800 . ?
C608 H60G 0.9800 . ?
C608 H60H 0.9800 . ?
O24X C603 1.412(10) . ?
O24X H24X 0.8400 . ?
C603 C601 1.483(17) . ?
C603 H60I 0.9900 . ?
C603 H60J 0.9900 . ?
C601 H60K 0.9800 . ?
C601 H60L 0.9800 . ?
C601 H60M 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
C6 C1 C2 120.0(4) . . ?
C6 C1 P1 123.0(3) . . ?
C2 C1 P1 116.9(3) . . ?
O2 C2 C3 121.2(3) . . ?
O2 C2 C1 120.6(3) . . ?
C3 C2 C1 118.1(4) . . ?
C4 C3 C2 120.3(4) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C3 C4 C5 122.8(4) . . ?
C3 C4 H4 118.6 . . ?
C5 C4 H4 118.6 . . ?
C6 C5 C4 116.5(4) . . ?
C6 C5 C7 123.7(4) . . ?
C4 C5 C7 119.8(4) . . ?
C5 C6 C1 122.2(4) . . ?
C5 C6 H6 118.9 . . ?
C1 C6 H6 118.9 . . ?
C5 C7 C10 111.8(4) . . ?
C5 C7 C8 108.2(4) . . ?
C10 C7 C8 109.5(5) . . ?
C5 C7 C9 109.5(4) . . ?
C10 C7 C9 109.2(5) . . ?
C8 C7 C9 108.5(5) . . ?
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 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C16 C11 C12 120.0(4) . . ?
C16 C11 P1 122.1(3) . . ?
C12 C11 P1 117.6(3) . . ?
O3 C12 C13 121.5(4) . . ?
O3 C12 C11 121.0(4) . . ?
C13 C12 C11 117.5(4) . . ?
C14 C13 C12 121.0(4) . . ?
C14 C13 H13 119.5 . . ?
C12 C13 H13 119.5 . . ?
C13 C14 C15 122.2(4) . . ?
C13 C14 H14 118.9 . . ?
C15 C14 H14 118.9 . . ?
C16 C15 C14 116.1(4) . . ?
C16 C15 C17 120.8(4) . . ?
C14 C15 C17 123.1(4) . . ?
C11 C16 C15 123.2(4) . . ?
C11 C16 H16 118.4 . . ?
C15 C16 H16 118.4 . . ?
C19 C17 C18 107.8(4) . . ?
C19 C17 C15 112.9(4) . . ?
C18 C17 C15 109.4(4) . . ?
C19 C17 C20 108.3(4) . . ?
C18 C17 C20 109.6(5) . . ?
C15 C17 C20 108.8(4) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 C26 118.9(4) . . ?
C22 C21 P1 124.9(3) . . ?
C26 C21 P1 116.1(3) . . ?
O4 C22 C23 118.3(4) . . ?
O4 C22 C21 123.5(3) . . ?
C23 C22 C21 118.2(4) . . ?
C24 C23 C22 121.4(5) . . ?
C24 C23 H23 119.3 . . ?
C22 C23 H23 119.3 . . ?
C23 C24 C25 122.1(4) . . ?
C23 C24 H24 118.9 . . ?
C25 C24 H24 118.9 . . ?
C26 C25 C24 116.1(5) . . ?
C26 C25 C27 120.9(5) . . ?
C24 C25 C27 122.9(4) . . ?
C25 C26 C21 123.1(5) . . ?
C25 C26 H26 118.4 . . ?
C21 C26 H26 118.4 . . ?
C30 C27 C28 106.8(9) . . ?
C30 C27 C29 110.5(8) . . ?
C28 C27 C29 106.3(8) . . ?
C30 C27 C25 111.4(5) . . ?
C28 C27 C25 112.3(5) . . ?
C29 C27 C25 109.4(5) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C280 C281 H28D 109.5 . . ?
C280 C281 H28E 109.5 . . ?
H28D C281 H28E 109.5 . . ?
C280 C281 H28F 109.5 . . ?
H28D C281 H28F 109.5 . . ?
H28E C281 H28F 109.5 . . ?
C36 C31 C32 120.3(4) . . ?
C36 C31 P2 122.4(3) . . ?
C32 C31 P2 117.2(3) . . ?
O6 C32 C33 122.2(4) . . ?
O6 C32 C31 120.9(3) . . ?
C33 C32 C31 116.9(4) . . ?
C34 C33 C32 121.6(4) . . ?
C34 C33 H33 119.2 . . ?
C32 C33 H33 119.2 . . ?
C33 C34 C35 122.4(4) . . ?
C33 C34 H34 118.8 . . ?
C35 C34 H34 118.8 . . ?
C34 C35 C36 116.7(4) . . ?
C34 C35 C37 124.1(4) . . ?
C36 C35 C37 119.2(4) . . ?
C35 C36 C31 122.0(4) . . ?
C35 C36 H36 119.0 . . ?
C31 C36 H36 119.0 . . ?
C40 C37 C38 110.5(5) . . ?
C40 C37 C35 110.7(4) . . ?
C38 C37 C35 112.3(5) . . ?
C40 C37 C39 109.1(7) . . ?
C38 C37 C39 106.8(6) . . ?
C35 C37 C39 107.2(5) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C202 C039 H03A 109.5 . . ?
C202 C039 H03B 109.5 . . ?
H03A C039 H03B 109.5 . . ?
C202 C039 H03C 109.5 . . ?
H03A C039 H03C 109.5 . . ?
H03B C039 H03C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C46 C41 C42 121.4(4) . . ?
C46 C41 P2 121.3(3) . . ?
C42 C41 P2 117.1(3) . . ?
O7 C42 C41 122.3(4) . . ?
O7 C42 C43 120.8(4) . . ?
C41 C42 C43 116.9(4) . . ?
C44 C43 C42 120.8(4) . . ?
C44 C43 H43 119.6 . . ?
C42 C43 H43 119.6 . . ?
C43 C44 C45 122.6(4) . . ?
C43 C44 H44 118.7 . . ?
C45 C44 H44 118.7 . . ?
C46 C45 C44 116.8(4) . . ?
C46 C45 C47 121.5(4) . . ?
C44 C45 C47 121.6(4) . . ?
C45 C46 C41 121.5(4) . . ?
C45 C46 H46 119.3 . . ?
C41 C46 H46 119.3 . . ?
C49 C47 C48 109.5(6) . . ?
C49 C47 C50 110.2(7) . . ?
C48 C47 C50 108.3(5) . . ?
C49 C47 C45 109.6(4) . . ?
C48 C47 C45 112.4(4) . . ?
C50 C47 C45 106.9(5) . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C47 C49 H49A 109.5 . . ?
C47 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C47 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C47 C50 H50A 109.5 . . ?
C47 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C47 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C52 C51 C56 118.9(4) . . ?
C52 C51 P2 124.1(3) . . ?
C56 C51 P2 116.9(3) . . ?
O8 C52 C51 123.4(4) . . ?
O8 C52 C53 117.3(4) . . ?
C51 C52 C53 119.3(4) . . ?
C54 C53 C52 120.5(4) . . ?
C54 C53 H53 119.7 . . ?
C52 C53 H53 119.7 . . ?
C53 C54 C55 121.5(4) . . ?
C53 C54 H54 119.3 . . ?
C55 C54 H54 119.3 . . ?
C54 C55 C56 117.5(4) . . ?
C54 C55 C57 122.9(4) . . ?
C56 C55 C57 119.6(4) . . ?
C55 C56 C51 122.3(4) . . ?
C55 C56 H56 118.8 . . ?
C51 C56 H56 118.8 . . ?
C59 C57 C60 110.2(6) . . ?
C59 C57 C58 109.7(6) . . ?
C60 C57 C58 106.1(6) . . ?
C59 C57 C55 107.9(5) . . ?
C60 C57 C55 112.2(5) . . ?
C58 C57 C55 110.7(4) . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C57 C59 H59A 109.5 . . ?
C57 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C57 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C57 C60 H60A 109.5 . . ?
C57 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C57 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C66 C61 C62 120.1(4) . . ?
C66 C61 P3 122.8(3) . . ?
C62 C61 P3 117.1(3) . . ?
O10 C62 C61 120.9(4) . . ?
O10 C62 C63 120.8(4) . . ?
C61 C62 C63 118.2(4) . . ?
C64 C63 C62 120.6(4) . . ?
C64 C63 H63 119.7 . . ?
C62 C63 H63 119.7 . . ?
C63 C64 C65 122.2(4) . . ?
C63 C64 H64 118.9 . . ?
C65 C64 H64 118.9 . . ?
C66 C65 C64 117.0(4) . . ?
C66 C65 C67 121.4(4) . . ?
C64 C65 C67 121.5(4) . . ?
C65 C66 C61 121.9(4) . . ?
C65 C66 H66 119.1 . . ?
C61 C66 H66 119.1 . . ?
C70' C67 C65 112.4(7) . . ?
C69 C67 C65 110.9(6) . . ?
C69 C67 C70 112.3(8) . . ?
C65 C67 C70 107.6(5) . . ?
C70' C67 C68' 110.9(9) . . ?
C65 C67 C68' 108.0(6) . . ?
C69 C67 C68 110.2(7) . . ?
C65 C67 C68 112.0(5) . . ?
C70 C67 C68 103.7(7) . . ?
C70' C67 C69' 110.2(8) . . ?
C65 C67 C69' 112.2(5) . . ?
C68' C67 C69' 102.7(7) . . ?
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 . . ?
C67 C70 H70A 109.5 . . ?
C67 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
C67 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C67 C69' H69D 109.5 . . ?
C67 C69' H69E 109.5 . . ?
H69D C69' H69E 109.5 . . ?
C67 C69' H69F 109.5 . . ?
H69D C69' H69F 109.5 . . ?
H69E C69' H69F 109.5 . . ?
C67 C68' H68D 109.5 . . ?
C67 C68' H68E 109.5 . . ?
H68D C68' H68E 109.5 . . ?
C67 C68' H68F 109.5 . . ?
H68D C68' H68F 109.5 . . ?
H68E C68' H68F 109.5 . . ?
C67 C70' H70D 109.5 . . ?
C67 C70' H70E 109.5 . . ?
H70D C70' H70E 109.5 . . ?
C67 C70' H70F 109.5 . . ?
H70D C70' H70F 109.5 . . ?
H70E C70' H70F 109.5 . . ?
C76 C71 C72 120.4(4) . . ?
C76 C71 P3 122.2(3) . . ?
C72 C71 P3 116.9(3) . . ?
O11 C72 C73 121.5(4) . . ?
O11 C72 C71 121.0(4) . . ?
C73 C72 C71 117.6(4) . . ?
C74 C73 C72 121.2(4) . . ?
C74 C73 H73 119.4 . . ?
C72 C73 H73 119.4 . . ?
C73 C74 C75 122.0(4) . . ?
C73 C74 H74 119.0 . . ?
C75 C74 H74 119.0 . . ?
C76 C75 C74 117.0(4) . . ?
C76 C75 C77 121.2(4) . . ?
C74 C75 C77 121.7(4) . . ?
C71 C76 C75 121.9(4) . . ?
C71 C76 H76 119.1 . . ?
C75 C76 H76 119.1 . . ?
C79 C77 C78 108.2(9) . . ?
C79 C77 C80 107.0(8) . . ?
C78 C77 C80 108.8(11) . . ?
C79 C77 C75 112.3(5) . . ?
C78 C77 C75 108.7(5) . . ?
C80 C77 C75 111.8(5) . . ?
C77 C78 H78A 109.5 . . ?
C77 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
C77 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C77 C79 H79A 109.5 . . ?
C77 C79 H79B 109.5 . . ?
H79A C79 H79B 109.5 . . ?
C77 C79 H79C 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C77 C80 H80A 109.5 . . ?
C77 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
C77 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C82 C81 C86 118.8(4) . . ?
C82 C81 P3 125.2(3) . . ?
C86 C81 P3 115.7(3) . . ?
C96 C91 C92 120.9(3) . . ?
C96 C91 P4 121.9(3) . . ?
C92 C91 P4 117.1(3) . . ?
O12 C82 C83 118.2(4) . . ?
O12 C82 C81 123.1(4) . . ?
C83 C82 C81 118.8(4) . . ?
O14 C92 C93 122.3(4) . . ?
O14 C92 C91 121.3(3) . . ?
C93 C92 C91 116.4(3) . . ?
C94 C93 C92 121.2(4) . . ?
C94 C93 H93 119.4 . . ?
C92 C93 H93 119.4 . . ?
C84 C83 C82 121.0(4) . . ?
C84 C83 H83 119.5 . . ?
C82 C83 H83 119.5 . . ?
C83 C84 C85 122.6(4) . . ?
C83 C84 H84 118.7 . . ?
C85 C84 H84 118.7 . . ?
C93 C94 C95 122.7(4) . . ?
C93 C94 H94 118.7 . . ?
C95 C94 H94 118.7 . . ?
C84 C85 C86 116.0(4) . . ?
C84 C85 C87 122.1(4) . . ?
C86 C85 C87 121.9(4) . . ?
C94 C95 C96 116.0(4) . . ?
C94 C95 C97 124.3(4) . . ?
C96 C95 C97 119.6(4) . . ?
C91 C96 C95 122.4(4) . . ?
C91 C96 H96 118.8 . . ?
C95 C96 H96 118.8 . . ?
C85 C86 C81 122.8(4) . . ?
C85 C86 H86 118.6 . . ?
C81 C86 H86 118.6 . . ?
C100 C97 C99 108.3(4) . . ?
C100 C97 C98 108.4(5) . . ?
C99 C97 C98 109.3(4) . . ?
C100 C97 C95 110.6(4) . . ?
C99 C97 C95 111.4(4) . . ?
C98 C97 C95 108.8(4) . . ?
C89 C87 C90 111.1(5) . . ?
C89 C87 C88 109.1(6) . . ?
C90 C87 C88 106.1(6) . . ?
C89 C87 C85 108.3(4) . . ?
C90 C87 C85 110.0(5) . . ?
C88 C87 C85 112.3(4) . . ?
C97 C100 H10D 109.5 . . ?
C97 C100 H10E 109.5 . . ?
H10D C100 H10E 109.5 . . ?
C97 C100 H10F 109.5 . . ?
H10D C100 H10F 109.5 . . ?
H10E C100 H10F 109.5 . . ?
C87 C88 H88A 109.5 . . ?
C87 C88 H88B 109.5 . . ?
H88A C88 H88B 109.5 . . ?
C87 C88 H88C 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
C97 C99 H99A 109.5 . . ?
C97 C99 H99B 109.5 . . ?
H99A C99 H99B 109.5 . . ?
C97 C99 H99C 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
C87 C89 H89A 109.5 . . ?
C87 C89 H89B 109.5 . . ?
H89A C89 H89B 109.5 . . ?
C87 C89 H89C 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
C97 C98 H98A 109.5 . . ?
C97 C98 H98B 109.5 . . ?
H98A C98 H98B 109.5 . . ?
C97 C98 H98C 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
C87 C90 H90A 109.5 . . ?
C87 C90 H90B 109.5 . . ?
H90A C90 H90B 109.5 . . ?
C87 C90 H90C 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
C106 C101 C102 120.0(4) . . ?
C106 C101 P4 122.2(3) . . ?
C102 C101 P4 117.8(3) . . ?
O15 C102 C103 121.9(3) . . ?
O15 C102 C101 121.7(4) . . ?
C103 C102 C101 116.4(3) . . ?
C104 C103 C102 121.4(4) . . ?
C104 C103 H103 119.3 . . ?
C102 C103 H103 119.3 . . ?
C103 C104 C105 122.7(4) . . ?
C103 C104 H104 118.6 . . ?
C105 C104 H104 118.6 . . ?
C106 C105 C104 115.9(4) . . ?
C106 C105 C107 120.5(3) . . ?
C104 C105 C107 123.5(4) . . ?
C105 C106 C101 123.6(4) . . ?
C105 C106 H106 118.2 . . ?
C101 C106 H106 118.2 . . ?
C108 C107 C110 111.4(4) . . ?
C108 C107 C105 111.5(4) . . ?
C110 C107 C105 112.2(4) . . ?
C108 C107 C109 107.8(4) . . ?
C110 C107 C109 107.4(4) . . ?
C105 C107 C109 106.3(4) . . ?
C107 C108 H10G 109.5 . . ?
C107 C108 H10H 109.5 . . ?
H10G C108 H10H 109.5 . . ?
C107 C108 H10I 109.5 . . ?
H10G C108 H10I 109.5 . . ?
H10H C108 H10I 109.5 . . ?
C107 C109 H10J 109.5 . . ?
C107 C109 H10K 109.5 . . ?
H10J C109 H10K 109.5 . . ?
C107 C109 H10L 109.5 . . ?
H10J C109 H10L 109.5 . . ?
H10K C109 H10L 109.5 . . ?
C107 C110 H11A 109.5 . . ?
C107 C110 H11B 109.5 . . ?
H11A C110 H11B 109.5 . . ?
C107 C110 H11C 109.5 . . ?
H11A C110 H11C 109.5 . . ?
H11B C110 H11C 109.5 . . ?
C116 C111 C112 119.0(4) . . ?
C116 C111 P4 117.3(3) . . ?
C112 C111 P4 123.0(3) . . ?
O16 C112 C113 117.9(4) . . ?
O16 C112 C111 122.9(4) . . ?
C113 C112 C111 119.2(4) . . ?
C114 C113 C112 120.6(4) . . ?
C114 C113 H113 119.7 . . ?
C112 C113 H113 119.7 . . ?
C113 C114 C115 122.0(4) . . ?
C113 C114 H114 119.0 . . ?
C115 C114 H114 119.0 . . ?
C116 C115 C114 116.6(4) . . ?
C116 C115 C117 123.2(5) . . ?
C114 C115 C117 120.2(4) . . ?
C115 C116 C111 122.6(4) . . ?
C115 C116 H116 118.7 . . ?
C111 C116 H116 118.7 . . ?
C120 C117 C118 109.1(7) . . ?
C120 C117 C115 111.5(5) . . ?
C118 C117 C115 111.6(5) . . ?
C120 C117 C119 107.1(7) . . ?
C118 C117 C119 110.0(6) . . ?
C115 C117 C119 107.3(6) . . ?
C117 C119 H11D 109.5 . . ?
C117 C119 H11E 109.5 . . ?
H11D C119 H11E 109.5 . . ?
C117 C119 H11F 109.5 . . ?
H11D C119 H11F 109.5 . . ?
H11E C119 H11F 109.5 . . ?
C117 C120 H12A 109.5 . . ?
C117 C120 H12B 109.5 . . ?
H12A C120 H12B 109.5 . . ?
C117 C120 H12C 109.5 . . ?
H12A C120 H12C 109.5 . . ?
H12B C120 H12C 109.5 . . ?
C117 C118 H11G 109.5 . . ?
C117 C118 H11H 109.5 . . ?
H11G C118 H11H 109.5 . . ?
C117 C118 H11I 109.5 . . ?
H11G C118 H11I 109.5 . . ?
H11H C118 H11I 109.5 . . ?
C301 C200 O25 136.7(16) . . ?
C201 C200 O25 117.6(9) . . ?
C201 C200 H20D 107.9 . . ?
O25 C200 H20D 107.9 . . ?
C201 C200 H20E 107.9 . . ?
O25 C200 H20E 107.9 . . ?
H20D C200 H20E 107.2 . . ?
C200 C201 H20F 109.5 . . ?
C200 C201 H20G 109.5 . . ?
H20F C201 H20G 109.5 . . ?
C200 C201 H20H 109.5 . . ?
H20F C201 H20H 109.5 . . ?
H20G C201 H20H 109.5 . . ?
C200 C301 H30D 109.5 . . ?
C200 C301 H30E 109.5 . . ?
H30D C301 H30E 109.5 . . ?
C200 C301 H30F 109.5 . . ?
H30D C301 H30F 109.5 . . ?
H30E C301 H30F 109.5 . . ?
O27 C202 C039 112.5(4) . . ?
O27 C202 H20I 109.1 . . ?
C039 C202 H20I 109.1 . . ?
O27 C202 H20J 109.1 . . ?
C039 C202 H20J 109.1 . . ?
H20I C202 H20J 107.8 . . ?
O22 C205 C306 153.5(9) . . ?
O22 C205 C206 113.2(5) . . ?
O22 C205 H20K 108.9 . . ?
C206 C205 H20K 108.9 . . ?
O22 C205 H20L 108.9 . . ?
C206 C205 H20L 108.9 . . ?
H20K C205 H20L 107.8 . . ?
C205 C206 H20M 109.5 . . ?
C205 C206 H20N 109.5 . . ?
H20M C206 H20N 109.5 . . ?
C205 C206 H20O 109.5 . . ?
H20M C206 H20O 109.5 . . ?
H20N C206 H20O 109.5 . . ?
C205 C306 H30G 109.5 . . ?
C205 C306 H30H 109.5 . . ?
H30G C306 H30H 109.5 . . ?
C205 C306 H30I 109.5 . . ?
H30G C306 H30I 109.5 . . ?
H30H C306 H30I 109.5 . . ?
O29 C207 C208 111.9(5) . . ?
O29 C207 H20P 109.2 . . ?
C208 C207 H20P 109.2 . . ?
O29 C207 H20Q 109.2 . . ?
C208 C207 H20Q 109.2 . . ?
H20P C207 H20Q 107.9 . . ?
C207 C208 H20R 109.5 . . ?
C207 C208 H20S 109.5 . . ?
H20R C208 H20S 109.5 . . ?
C207 C208 H20T 109.5 . . ?
H20R C208 H20T 109.5 . . ?
H20S C208 H20T 109.5 . . ?
P1 O1 Dy1 125.57(15) . . ?
P1 O1 Dy2 118.95(13) . . ?
Dy1 O1 Dy2 89.54(8) . . ?
C2 O2 Dy2 130.9(2) . . ?
C12 O3 Dy1 132.3(2) . . ?
C22 O4 H4A 109.5 . . ?
P2 O5 Dy2 123.96(15) . . ?
P2 O5 Dy3 121.19(14) . . ?
Dy2 O5 Dy3 90.04(8) . . ?
C32 O6 Dy3 132.1(2) . . ?
C42 O7 Dy2 130.9(2) . . ?
C52 O8 H8 109.5 . . ?
P3 O9 Dy3 124.93(15) . . ?
P3 O9 Dy4 120.35(13) . . ?
Dy3 O9 Dy4 89.93(8) . . ?
C62 O10 Dy4 129.6(2) . . ?
C72 O11 Dy3 131.1(2) . . ?
C82 O12 H12 109.5 . . ?
P4 O13 Dy4 124.77(15) . . ?
P4 O13 Dy1 121.77(13) . . ?
Dy4 O13 Dy1 90.74(8) . . ?
C92 O14 Dy1 131.6(2) . . ?
C102 O15 Dy4 130.2(2) . . ?
C112 O16 H16A 109.5 . . ?
Dy3 O17 Dy2 99.52(9) . . ?
Dy3 O17 Dy1 114.11(10) . . ?
Dy2 O17 Dy1 99.20(9) . . ?
Dy3 O17 H17 114.1 . . ?
Dy2 O17 H17 114.1 . . ?
Dy1 O17 H17 114.1 . . ?
Dy2 O18 Dy1 101.59(10) . . ?
Dy2 O18 Dy4 113.54(10) . . ?
Dy1 O18 Dy4 98.96(9) . . ?
Dy2 O18 H18 113.7 . . ?
Dy1 O18 H18 113.7 . . ?
Dy4 O18 H18 113.7 . . ?
Dy1 O19 Dy4 99.53(9) . . ?
Dy1 O19 Dy3 114.85(10) . . ?
Dy4 O19 Dy3 98.55(8) . . ?
Dy1 O19 H19 114.0 . . ?
Dy4 O19 H19 114.0 . . ?
Dy3 O19 H19 114.0 . . ?
Dy4 O20 Dy3 100.88(9) . . ?
Dy4 O20 Dy2 113.80(10) . . ?
Dy3 O20 Dy2 98.14(9) . . ?
Dy4 O20 H20 114.1 . . ?
Dy3 O20 H20 114.1 . . ?
Dy2 O20 H20 114.1 . . ?
Dy2 O21 H21A 120.0 . . ?
Dy2 O21 H21B 120.0 . . ?
H21A O21 H21B 120.0 . . ?
C205 O22 Dy3 136.4(3) . . ?
C205 O22 H22 111.8 . . ?
Dy3 O22 H22 111.8 . . ?
C280 O23 Dy1 137.1(2) . . ?
C280 O23 H23A 111.4 . . ?
Dy1 O23 H23A 111.4 . . ?
C200 O25 H25 109.5 . . ?
C202 O27 H27 109.5 . . ?
C207 O29 H29 109.5 . . ?
O1 P1 C1 112.19(17) . . ?
O1 P1 C11 113.02(17) . . ?
C1 P1 C11 106.16(18) . . ?
O1 P1 C21 113.24(18) . . ?
C1 P1 C21 107.36(18) . . ?
C11 P1 C21 104.26(19) . . ?
O5 P2 C31 111.29(16) . . ?
O5 P2 C41 113.03(16) . . ?
C31 P2 C41 106.46(18) . . ?
O5 P2 C51 113.05(17) . . ?
C31 P2 C51 107.41(18) . . ?
C41 P2 C51 105.13(19) . . ?
O9 P3 C61 110.90(17) . . ?
O9 P3 C71 112.58(17) . . ?
C61 P3 C71 108.11(18) . . ?
O9 P3 C81 113.40(17) . . ?
C61 P3 C81 107.07(18) . . ?
C71 P3 C81 104.38(18) . . ?
O13 P4 C101 112.08(16) . . ?
O13 P4 C91 110.07(17) . . ?
C101 P4 C91 106.91(18) . . ?
O13 P4 C111 114.48(16) . . ?
C101 P4 C111 105.87(19) . . ?
C91 P4 C111 107.01(18) . . ?
O3 Dy1 O14 96.17(10) . . ?
O3 Dy1 O19 118.21(9) . . ?
O14 Dy1 O19 138.58(9) . . ?
O3 Dy1 O18 140.40(9) . . ?
O14 Dy1 O18 92.23(9) . . ?
O19 Dy1 O18 76.17(9) . . ?
O3 Dy1 O23 76.86(10) . . ?
O14 Dy1 O23 83.32(10) . . ?
O19 Dy1 O23 82.93(9) . . ?
O18 Dy1 O23 142.68(9) . . ?
O3 Dy1 O17 79.15(9) . . ?
O14 Dy1 O17 149.48(9) . . ?
O19 Dy1 O17 65.54(8) . . ?
O18 Dy1 O17 74.31(8) . . ?
O23 Dy1 O17 123.87(9) . . ?
O3 Dy1 O1 76.43(9) . . ?
O14 Dy1 O1 80.07(9) . . ?
O19 Dy1 O1 127.69(8) . . ?
O18 Dy1 O1 67.04(8) . . ?
O23 Dy1 O1 146.64(9) . . ?
O17 Dy1 O1 69.49(8) . . ?
O3 Dy1 O13 152.82(8) . . ?
O14 Dy1 O13 74.30(8) . . ?
O19 Dy1 O13 64.56(8) . . ?
O18 Dy1 O13 66.41(8) . . ?
O23 Dy1 O13 76.77(9) . . ?
O17 Dy1 O13 121.77(8) . . ?
O1 Dy1 O13 125.09(8) . . ?
O3 Dy1 Dy4 156.17(7) . . ?
O14 Dy1 Dy4 107.66(7) . . ?
O19 Dy1 Dy4 40.86(6) . . ?
O18 Dy1 Dy4 40.82(6) . . ?
O23 Dy1 Dy4 105.60(7) . . ?
O17 Dy1 Dy4 80.12(6) . . ?
O1 Dy1 Dy4 106.93(6) . . ?
O13 Dy1 Dy4 42.19(5) . . ?
O3 Dy1 Dy2 103.92(7) . . ?
O14 Dy1 Dy2 115.05(7) . . ?
O19 Dy1 Dy2 80.18(6) . . ?
O18 Dy1 Dy2 38.91(6) . . ?
O23 Dy1 Dy2 161.14(7) . . ?
O17 Dy1 Dy2 40.06(6) . . ?
O1 Dy1 Dy2 47.85(6) . . ?
O13 Dy1 Dy2 103.15(5) . . ?
Dy4 Dy1 Dy2 66.037(6) . . ?
O3 Dy1 Dy3 99.42(7) . . ?
O14 Dy1 Dy3 163.65(7) . . ?
O19 Dy1 Dy3 33.04(6) . . ?
O18 Dy1 Dy3 72.55(6) . . ?
O23 Dy1 Dy3 105.00(7) . . ?
O17 Dy1 Dy3 32.50(6) . . ?
O1 Dy1 Dy3 98.77(6) . . ?
O13 Dy1 Dy3 93.64(5) . . ?
Dy4 Dy1 Dy3 56.837(6) . . ?
Dy2 Dy1 Dy3 56.152(6) . . ?
O2 Dy2 O7 98.53(10) . . ?
O2 Dy2 O18 137.73(9) . . ?
O7 Dy2 O18 118.73(9) . . ?
O2 Dy2 O21 87.46(10) . . ?
O7 Dy2 O21 77.60(9) . . ?
O18 Dy2 O21 82.23(9) . . ?
O2 Dy2 O17 87.42(9) . . ?
O7 Dy2 O17 142.16(8) . . ?
O18 Dy2 O17 75.48(9) . . ?
O21 Dy2 O17 140.20(9) . . ?
O2 Dy2 O20 145.95(9) . . ?
O7 Dy2 O20 79.14(9) . . ?
O18 Dy2 O20 66.33(9) . . ?
O21 Dy2 O20 124.28(10) . . ?
O17 Dy2 O20 75.58(8) . . ?
O2 Dy2 O5 77.14(9) . . ?
O7 Dy2 O5 77.25(9) . . ?
O18 Dy2 O5 127.53(9) . . ?
O21 Dy2 O5 148.05(9) . . ?
O17 Dy2 O5 67.67(8) . . ?
O20 Dy2 O5 69.18(9) . . ?
O2 Dy2 O1 74.22(8) . . ?
O7 Dy2 O1 151.52(9) . . ?
O18 Dy2 O1 63.52(8) . . ?
O21 Dy2 O1 74.62(9) . . ?
O17 Dy2 O1 66.01(8) . . ?
O20 Dy2 O1 122.30(8) . . ?
O5 Dy2 O1 125.79(8) . . ?
O2 Dy2 Dy3 109.76(7) . . ?
O7 Dy2 Dy3 104.32(7) . . ?
O18 Dy2 Dy3 81.16(6) . . ?
O21 Dy2 Dy3 161.89(7) . . ?
O17 Dy2 Dy3 39.99(6) . . ?
O20 Dy2 Dy3 40.88(6) . . ?
O5 Dy2 Dy3 46.66(6) . . ?
O1 Dy2 Dy3 104.03(5) . . ?
O2 Dy2 Dy1 105.78(7) . . ?
O7 Dy2 Dy1 155.68(7) . . ?
O18 Dy2 Dy1 39.50(6) . . ?
O21 Dy2 Dy1 103.89(7) . . ?
O17 Dy2 Dy1 40.74(6) . . ?
O20 Dy2 Dy1 80.28(6) . . ?
O5 Dy2 Dy1 107.15(6) . . ?
O1 Dy2 Dy1 42.60(5) . . ?
Dy3 Dy2 Dy1 66.852(6) . . ?
O2 Dy2 Dy4 160.33(7) . . ?
O7 Dy2 Dy4 99.19(7) . . ?
O18 Dy2 Dy4 33.70(6) . . ?
O21 Dy2 Dy4 104.64(7) . . ?
O17 Dy2 Dy4 73.32(6) . . ?
O20 Dy2 Dy4 32.65(6) . . ?
O5 Dy2 Dy4 98.56(6) . . ?
O1 Dy2 Dy4 93.80(5) . . ?
Dy3 Dy2 Dy4 57.268(6) . . ?
Dy1 Dy2 Dy4 56.683(6) . . ?
O6 Dy3 O11 94.09(9) . . ?
O6 Dy3 O17 140.43(9) . . ?
O11 Dy3 O17 119.68(9) . . ?
O6 Dy3 O20 90.08(9) . . ?
O11 Dy3 O20 141.84(9) . . ?
O17 Dy3 O20 76.12(9) . . ?
O6 Dy3 O19 146.39(9) . . ?
O11 Dy3 O19 81.00(9) . . ?
O17 Dy3 O19 65.50(8) . . ?
O20 Dy3 O19 74.95(8) . . ?
O6 Dy3 O22 87.30(10) . . ?
O11 Dy3 O22 76.16(10) . . ?
O17 Dy3 O22 82.05(9) . . ?
O20 Dy3 O22 141.98(9) . . ?
O19 Dy3 O22 122.92(9) . . ?
O6 Dy3 O9 77.41(9) . . ?
O11 Dy3 O9 76.51(9) . . ?
O17 Dy3 O9 127.33(8) . . ?
O20 Dy3 O9 67.45(9) . . ?
O19 Dy3 O9 69.09(8) . . ?
O22 Dy3 O9 147.48(9) . . ?
O6 Dy3 O5 74.94(9) . . ?
O11 Dy3 O5 150.47(9) . . ?
O17 Dy3 O5 65.52(8) . . ?
O20 Dy3 O5 66.73(8) . . ?
O19 Dy3 O5 123.05(8) . . ?
O22 Dy3 O5 76.00(9) . . ?
O9 Dy3 O5 125.60(8) . . ?
O6 Dy3 Dy2 108.03(7) . . ?
O11 Dy3 Dy2 157.87(6) . . ?
O17 Dy3 Dy2 40.49(6) . . ?
O20 Dy3 Dy2 40.98(6) . . ?
O19 Dy3 Dy2 80.23(6) . . ?
O22 Dy3 Dy2 104.68(7) . . ?
O9 Dy3 Dy2 107.29(6) . . ?
O5 Dy3 Dy2 43.30(5) . . ?
O6 Dy3 Dy4 111.61(7) . . ?
O11 Dy3 Dy4 105.67(7) . . ?
O17 Dy3 Dy4 80.38(6) . . ?
O20 Dy3 Dy4 39.04(6) . . ?
O19 Dy3 Dy4 40.72(6) . . ?
O22 Dy3 Dy4 160.57(7) . . ?
O9 Dy3 Dy4 47.41(6) . . ?
O5 Dy3 Dy4 103.86(6) . . ?
Dy2 Dy3 Dy4 66.198(6) . . ?
O6 Dy3 Dy1 162.74(7) . . ?
O11 Dy3 Dy1 101.07(6) . . ?
O17 Dy3 Dy1 33.39(6) . . ?
O20 Dy3 Dy1 72.90(6) . . ?
O19 Dy3 Dy1 32.11(6) . . ?
O22 Dy3 Dy1 104.21(7) . . ?
O9 Dy3 Dy1 98.04(6) . . ?
O5 Dy3 Dy1 95.12(5) . . ?
Dy2 Dy3 Dy1 56.995(6) . . ?
Dy4 Dy3 Dy1 56.368(5) . . ?
O10 Dy4 O15 100.87(10) . . ?
O10 Dy4 O20 138.52(9) . . ?
O15 Dy4 O20 115.96(9) . . ?
O10 Dy4 O24 87.42(10) . . ?
O15 Dy4 O24 77.72(9) . . ?
O20 Dy4 O24 82.70(10) . . ?
O10 Dy4 O18 144.94(9) . . ?
O15 Dy4 O18 77.32(9) . . ?
O20 Dy4 O18 66.30(8) . . ?
O24 Dy4 O18 125.26(10) . . ?
O10 Dy4 O19 87.59(9) . . ?
O15 Dy4 O19 141.04(8) . . ?
O20 Dy4 O19 75.90(9) . . ?
O24 Dy4 O19 141.06(9) . . ?
O18 Dy4 O19 74.50(9) . . ?
O10 Dy4 O13 75.66(9) . . ?
O15 Dy4 O13 77.99(9) . . ?
O20 Dy4 O13 128.34(9) . . ?
O24 Dy4 O13 147.02(10) . . ?
O18 Dy4 O13 69.69(8) . . ?
O19 Dy4 O13 67.32(8) . . ?
O10 Dy4 O9 73.91(8) . . ?
O15 Dy4 O9 153.34(8) . . ?
O20 Dy4 O9 64.60(8) . . ?
O24 Dy4 O9 75.96(9) . . ?
O18 Dy4 O9 122.12(8) . . ?
O19 Dy4 O9 65.56(8) . . ?
O13 Dy4 O9 124.03(8) . . ?
O10 Dy4 Dy1 109.29(7) . . ?
O15 Dy4 Dy1 102.89(6) . . ?
O20 Dy4 Dy1 81.50(6) . . ?
O24 Dy4 Dy1 162.62(8) . . ?
O18 Dy4 Dy1 40.22(6) . . ?
O19 Dy4 Dy1 39.62(5) . . ?
O13 Dy4 Dy1 47.07(6) . . ?
O9 Dy4 Dy1 103.48(6) . . ?
O10 Dy4 Dy3 106.00(7) . . ?
O15 Dy4 Dy3 153.08(7) . . ?
O20 Dy4 Dy3 40.08(6) . . ?
O24 Dy4 Dy3 104.75(7) . . ?
O18 Dy4 Dy3 79.80(6) . . ?
O19 Dy4 Dy3 40.72(5) . . ?
O13 Dy4 Dy3 107.03(6) . . ?
O9 Dy4 Dy3 42.66(6) . . ?
Dy1 Dy4 Dy3 66.795(6) . . ?
O10 Dy4 Dy2 160.18(7) . . ?
O15 Dy4 Dy2 96.70(7) . . ?
O20 Dy4 Dy2 33.55(6) . . ?
O24 Dy4 Dy2 105.34(8) . . ?
O18 Dy4 Dy2 32.77(6) . . ?
O19 Dy4 Dy2 72.92(6) . . ?
O13 Dy4 Dy2 99.34(6) . . ?
O9 Dy4 Dy2 94.19(5) . . ?
Dy1 Dy4 Dy2 57.280(6) . . ?
Dy3 Dy4 Dy2 56.535(6) . . ?
C211 C212 H21C 109.5 . . ?
C211 C212 H21D 109.5 . . ?
H21C C212 H21D 109.5 . . ?
C211 C212 H21E 109.5 . . ?
H21C C212 H21E 109.5 . . ?
H21D C212 H21E 109.5 . . ?
O500 C211 C212 89.1(13) . . ?
O500 C211 H21F 113.8 . . ?
C212 C211 H21F 113.8 . . ?
O500 C211 H21G 113.8 . . ?
C212 C211 H21G 113.8 . . ?
H21F C211 H21G 111.0 . . ?
C211 O500 H500 109.5 . . ?
C400 O60 H60 109.5 . . ?
O60 C400 C401 108.9(5) . . ?
O60 C400 H40D 109.9 . . ?
C401 C400 H40D 109.9 . . ?
O60 C400 H40E 109.9 . . ?
C401 C400 H40E 109.9 . . ?
H40D C400 H40E 108.3 . . ?
C400 C401 H40F 109.5 . . ?
C400 C401 H40G 109.5 . . ?
H40F C401 H40G 109.5 . . ?
C400 C401 H40H 109.5 . . ?
H40F C401 H40H 109.5 . . ?
H40G C401 H40H 109.5 . . ?
O23 C280 C281 111.6(4) . . ?
O23 C280 H28G 109.3 . . ?
C281 C280 H28G 109.3 . . ?
O23 C280 H28H 109.3 . . ?
C281 C280 H28H 109.3 . . ?
H28G C280 H28H 108.0 . . ?
C600 O24 Dy4 138.7(6) . . ?
C600 O24 H24A 102.4 . . ?
Dy4 O24 H24A 102.4 . . ?
C600 O24 H24B 102.4 . . ?
Dy4 O24 H24B 102.4 . . ?
H24A O24 H24B 104.9 . . ?
O24 C600 C608 114.7(10) . . ?
O24 C600 H60D 108.6 . . ?
C608 C600 H60D 108.6 . . ?
O24 C600 H60E 108.6 . . ?
C608 C600 H60E 108.6 . . ?
H60D C600 H60E 107.6 . . ?
C600 C608 H60F 109.5 . . ?
C600 C608 H60G 109.5 . . ?
H60F C608 H60G 109.5 . . ?
C600 C608 H60H 109.5 . . ?
H60F C608 H60H 109.5 . . ?
H60G C608 H60H 109.5 . . ?
C603 O24X H24X 109.5 . . ?
O24X C603 C601 109.1(9) . . ?
O24X C603 H60I 109.9 . . ?
C601 C603 H60I 109.9 . . ?
O24X C603 H60J 109.9 . . ?
C601 C603 H60J 109.9 . . ?
H60I C603 H60J 108.3 . . ?
C603 C601 H60K 109.5 . . ?
C603 C601 H60L 109.5 . . ?
H60K C601 H60L 109.5 . . ?
C603 C601 H60M 109.5 . . ?
H60K C601 H60M 109.5 . . ?
H60L C601 H60M 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
C6 C1 C2 O2 -179.5(4) . . . . ?
P1 C1 C2 O2 4.3(5) . . . . ?
C6 C1 C2 C3 3.0(6) . . . . ?
P1 C1 C2 C3 -173.2(3) . . . . ?
O2 C2 C3 C4 180.0(4) . . . . ?
C1 C2 C3 C4 -2.5(6) . . . . ?
C2 C3 C4 C5 0.3(7) . . . . ?
C3 C4 C5 C6 1.4(7) . . . . ?
C3 C4 C5 C7 -179.5(4) . . . . ?
C4 C5 C6 C1 -0.9(7) . . . . ?
C7 C5 C6 C1 180.0(4) . . . . ?
C2 C1 C6 C5 -1.3(6) . . . . ?
P1 C1 C6 C5 174.7(3) . . . . ?
C6 C5 C7 C10 -1.6(8) . . . . ?
C4 C5 C7 C10 179.3(5) . . . . ?
C6 C5 C7 C8 119.0(5) . . . . ?
C4 C5 C7 C8 -60.1(6) . . . . ?
C6 C5 C7 C9 -122.8(5) . . . . ?
C4 C5 C7 C9 58.1(6) . . . . ?
C16 C11 C12 O3 179.6(3) . . . . ?
P1 C11 C12 O3 5.4(5) . . . . ?
C16 C11 C12 C13 -0.5(5) . . . . ?
P1 C11 C12 C13 -174.8(3) . . . . ?
O3 C12 C13 C14 -179.2(4) . . . . ?
C11 C12 C13 C14 1.0(6) . . . . ?
C12 C13 C14 C15 -0.9(6) . . . . ?
C13 C14 C15 C16 0.3(6) . . . . ?
C13 C14 C15 C17 179.9(4) . . . . ?
C12 C11 C16 C15 0.0(6) . . . . ?
P1 C11 C16 C15 173.9(3) . . . . ?
C14 C15 C16 C11 0.2(6) . . . . ?
C17 C15 C16 C11 -179.4(4) . . . . ?
C16 C15 C17 C19 -177.1(4) . . . . ?
C14 C15 C17 C19 3.3(6) . . . . ?
C16 C15 C17 C18 -57.0(6) . . . . ?
C14 C15 C17 C18 123.4(5) . . . . ?
C16 C15 C17 C20 62.6(5) . . . . ?
C14 C15 C17 C20 -116.9(5) . . . . ?
C26 C21 C22 O4 177.1(4) . . . . ?
P1 C21 C22 O4 0.8(6) . . . . ?
C26 C21 C22 C23 -2.1(6) . . . . ?
P1 C21 C22 C23 -178.4(3) . . . . ?
O4 C22 C23 C24 -177.6(4) . . . . ?
C21 C22 C23 C24 1.6(7) . . . . ?
C22 C23 C24 C25 0.1(8) . . . . ?
C23 C24 C25 C26 -1.3(7) . . . . ?
C23 C24 C25 C27 176.8(5) . . . . ?
C24 C25 C26 C21 0.8(7) . . . . ?
C27 C25 C26 C21 -177.4(4) . . . . ?
C22 C21 C26 C25 0.9(6) . . . . ?
P1 C21 C26 C25 177.5(4) . . . . ?
C26 C25 C27 C30 -152.5(8) . . . . ?
C24 C25 C27 C30 29.4(10) . . . . ?
C26 C25 C27 C28 -32.9(9) . . . . ?
C24 C25 C27 C28 149.1(8) . . . . ?
C26 C25 C27 C29 85.0(7) . . . . ?
C24 C25 C27 C29 -93.1(7) . . . . ?
C36 C31 C32 O6 178.8(3) . . . . ?
P2 C31 C32 O6 -4.7(5) . . . . ?
C36 C31 C32 C33 -3.0(6) . . . . ?
P2 C31 C32 C33 173.6(3) . . . . ?
O6 C32 C33 C34 -178.8(4) . . . . ?
C31 C32 C33 C34 3.0(6) . . . . ?
C32 C33 C34 C35 -0.7(7) . . . . ?
C33 C34 C35 C36 -1.6(7) . . . . ?
C33 C34 C35 C37 177.4(4) . . . . ?
C34 C35 C36 C31 1.5(6) . . . . ?
C37 C35 C36 C31 -177.5(4) . . . . ?
C32 C31 C36 C35 0.8(6) . . . . ?
P2 C31 C36 C35 -175.6(3) . . . . ?
C34 C35 C37 C40 123.1(6) . . . . ?
C36 C35 C37 C40 -57.9(7) . . . . ?
C34 C35 C37 C38 -0.9(7) . . . . ?
C36 C35 C37 C38 178.1(5) . . . . ?
C34 C35 C37 C39 -117.9(7) . . . . ?
C36 C35 C37 C39 61.1(7) . . . . ?
C46 C41 C42 O7 -179.9(4) . . . . ?
P2 C41 C42 O7 -5.5(5) . . . . ?
C46 C41 C42 C43 0.2(6) . . . . ?
P2 C41 C42 C43 174.6(3) . . . . ?
O7 C42 C43 C44 179.0(4) . . . . ?
C41 C42 C43 C44 -1.1(6) . . . . ?
C42 C43 C44 C45 1.3(7) . . . . ?
C43 C44 C45 C46 -0.6(7) . . . . ?
C43 C44 C45 C47 -178.1(5) . . . . ?
C44 C45 C46 C41 -0.4(6) . . . . ?
C47 C45 C46 C41 177.1(4) . . . . ?
C42 C41 C46 C45 0.6(6) . . . . ?
P2 C41 C46 C45 -173.6(3) . . . . ?
C46 C45 C47 C49 143.2(7) . . . . ?
C44 C45 C47 C49 -39.4(8) . . . . ?
C46 C45 C47 C48 21.2(7) . . . . ?
C44 C45 C47 C48 -161.4(5) . . . . ?
C46 C45 C47 C50 -97.4(6) . . . . ?
C44 C45 C47 C50 80.0(7) . . . . ?
C56 C51 C52 O8 179.7(4) . . . . ?
P2 C51 C52 O8 -5.6(6) . . . . ?
C56 C51 C52 C53 -0.7(6) . . . . ?
P2 C51 C52 C53 173.9(3) . . . . ?
O8 C52 C53 C54 179.8(4) . . . . ?
C51 C52 C53 C54 0.2(7) . . . . ?
C52 C53 C54 C55 0.0(8) . . . . ?
C53 C54 C55 C56 0.2(7) . . . . ?
C53 C54 C55 C57 179.6(5) . . . . ?
C54 C55 C56 C51 -0.7(7) . . . . ?
C57 C55 C56 C51 179.9(4) . . . . ?
C52 C51 C56 C55 1.0(6) . . . . ?
P2 C51 C56 C55 -174.1(3) . . . . ?
C54 C55 C57 C59 108.2(7) . . . . ?
C56 C55 C57 C59 -72.4(7) . . . . ?
C54 C55 C57 C60 -13.4(8) . . . . ?
C56 C55 C57 C60 166.0(5) . . . . ?
C54 C55 C57 C58 -131.8(6) . . . . ?
C56 C55 C57 C58 47.7(7) . . . . ?
C66 C61 C62 O10 179.7(4) . . . . ?
P3 C61 C62 O10 0.3(5) . . . . ?
C66 C61 C62 C63 -0.4(6) . . . . ?
P3 C61 C62 C63 -179.8(3) . . . . ?
O10 C62 C63 C64 -179.9(4) . . . . ?
C61 C62 C63 C64 0.2(7) . . . . ?
C62 C63 C64 C65 -0.3(8) . . . . ?
C63 C64 C65 C66 0.5(8) . . . . ?
C63 C64 C65 C67 178.8(5) . . . . ?
C64 C65 C66 C61 -0.8(7) . . . . ?
C67 C65 C66 C61 -179.0(4) . . . . ?
C62 C61 C66 C65 0.7(6) . . . . ?
P3 C61 C66 C65 -179.9(3) . . . . ?
C66 C65 C67 C70' 56.5(10) . . . . ?
C64 C65 C67 C70' -121.6(10) . . . . ?
C66 C65 C67 C69 -127.9(9) . . . . ?
C64 C65 C67 C69 54.0(10) . . . . ?
C66 C65 C67 C70 109.0(7) . . . . ?
C64 C65 C67 C70 -69.2(8) . . . . ?
C66 C65 C67 C68' -66.1(8) . . . . ?
C64 C65 C67 C68' 115.8(8) . . . . ?
C66 C65 C67 C68 -4.4(8) . . . . ?
C64 C65 C67 C68 177.5(6) . . . . ?
C66 C65 C67 C69' -178.6(7) . . . . ?
C64 C65 C67 C69' 3.3(9) . . . . ?
C76 C71 C72 O11 178.9(3) . . . . ?
P3 C71 C72 O11 6.7(5) . . . . ?
C76 C71 C72 C73 -0.4(5) . . . . ?
P3 C71 C72 C73 -172.5(3) . . . . ?
O11 C72 C73 C74 -178.1(4) . . . . ?
C71 C72 C73 C74 1.2(6) . . . . ?
C72 C73 C74 C75 -1.2(7) . . . . ?
C73 C74 C75 C76 0.3(6) . . . . ?
C73 C74 C75 C77 177.7(4) . . . . ?
C72 C71 C76 C75 -0.4(6) . . . . ?
P3 C71 C76 C75 171.3(3) . . . . ?
C74 C75 C76 C71 0.5(6) . . . . ?
C77 C75 C76 C71 -176.9(4) . . . . ?
C76 C75 C77 C79 -153.4(8) . . . . ?
C74 C75 C77 C79 29.3(9) . . . . ?
C76 C75 C77 C78 87.0(10) . . . . ?
C74 C75 C77 C78 -90.3(10) . . . . ?
C76 C75 C77 C80 -33.2(10) . . . . ?
C74 C75 C77 C80 149.5(9) . . . . ?
C86 C81 C82 O12 179.5(4) . . . . ?
P3 C81 C82 O12 5.5(6) . . . . ?
C86 C81 C82 C83 0.2(6) . . . . ?
P3 C81 C82 C83 -173.8(4) . . . . ?
C96 C91 C92 O14 175.4(4) . . . . ?
P4 C91 C92 O14 -5.9(5) . . . . ?
C96 C91 C92 C93 -5.5(6) . . . . ?
P4 C91 C92 C93 173.2(3) . . . . ?
O14 C92 C93 C94 -175.7(4) . . . . ?
C91 C92 C93 C94 5.2(6) . . . . ?
O12 C82 C83 C84 -179.0(5) . . . . ?
C81 C82 C83 C84 0.3(7) . . . . ?
C82 C83 C84 C85 -0.5(8) . . . . ?
C92 C93 C94 C95 -0.5(7) . . . . ?
C83 C84 C85 C86 0.1(8) . . . . ?
C83 C84 C85 C87 179.1(5) . . . . ?
C93 C94 C95 C96 -4.1(7) . . . . ?
C93 C94 C95 C97 173.8(4) . . . . ?
C92 C91 C96 C95 1.0(6) . . . . ?
P4 C91 C96 C95 -177.7(3) . . . . ?
C94 C95 C96 C91 3.8(6) . . . . ?
C97 C95 C96 C91 -174.2(4) . . . . ?
C84 C85 C86 C81 0.4(7) . . . . ?
C87 C85 C86 C81 -178.5(4) . . . . ?
C82 C81 C86 C85 -0.6(7) . . . . ?
P3 C81 C86 C85 174.0(4) . . . . ?
C94 C95 C97 C100 126.0(5) . . . . ?
C96 C95 C97 C100 -56.2(6) . . . . ?
C94 C95 C97 C99 5.5(7) . . . . ?
C96 C95 C97 C99 -176.7(4) . . . . ?
C94 C95 C97 C98 -115.1(5) . . . . ?
C96 C95 C97 C98 62.8(6) . . . . ?
C84 C85 C87 C89 -62.7(7) . . . . ?
C86 C85 C87 C89 116.2(6) . . . . ?
C84 C85 C87 C90 58.9(7) . . . . ?
C86 C85 C87 C90 -122.2(6) . . . . ?
C84 C85 C87 C88 176.9(6) . . . . ?
C86 C85 C87 C88 -4.3(8) . . . . ?
C106 C101 C102 O15 -178.1(4) . . . . ?
P4 C101 C102 O15 0.0(5) . . . . ?
C106 C101 C102 C103 3.0(6) . . . . ?
P4 C101 C102 C103 -178.9(3) . . . . ?
O15 C102 C103 C104 177.9(4) . . . . ?
C101 C102 C103 C104 -3.2(6) . . . . ?
C102 C103 C104 C105 0.9(7) . . . . ?
C103 C104 C105 C106 1.6(7) . . . . ?
C103 C104 C105 C107 -174.9(4) . . . . ?
C104 C105 C106 C101 -1.7(6) . . . . ?
C107 C105 C106 C101 174.9(4) . . . . ?
C102 C101 C106 C105 -0.6(6) . . . . ?
P4 C101 C106 C105 -178.6(3) . . . . ?
C106 C105 C107 C108 48.7(6) . . . . ?
C104 C105 C107 C108 -135.0(5) . . . . ?
C106 C105 C107 C110 174.3(4) . . . . ?
C104 C105 C107 C110 -9.3(6) . . . . ?
C106 C105 C107 C109 -68.6(5) . . . . ?
C104 C105 C107 C109 107.8(5) . . . . ?
C116 C111 C112 O16 -179.3(4) . . . . ?
P4 C111 C112 O16 -9.0(5) . . . . ?
C116 C111 C112 C113 -0.5(6) . . . . ?
P4 C111 C112 C113 169.7(3) . . . . ?
O16 C112 C113 C114 178.7(4) . . . . ?
C111 C112 C113 C114 -0.1(6) . . . . ?
C112 C113 C114 C115 0.9(7) . . . . ?
C113 C114 C115 C116 -1.1(7) . . . . ?
C113 C114 C115 C117 -178.8(5) . . . . ?
C114 C115 C116 C111 0.5(7) . . . . ?
C117 C115 C116 C111 178.0(5) . . . . ?
C112 C111 C116 C115 0.3(6) . . . . ?
P4 C111 C116 C115 -170.5(4) . . . . ?
C116 C115 C117 C120 128.3(7) . . . . ?
C114 C115 C117 C120 -54.2(9) . . . . ?
C116 C115 C117 C118 6.0(9) . . . . ?
C114 C115 C117 C118 -176.6(6) . . . . ?
C116 C115 C117 C119 -114.7(6) . . . . ?
C114 C115 C117 C119 62.7(7) . . . . ?
C3 C2 O2 Dy2 -117.0(4) . . . . ?
C1 C2 O2 Dy2 65.6(5) . . . . ?
C13 C12 O3 Dy1 -124.3(3) . . . . ?
C11 C12 O3 Dy1 55.5(5) . . . . ?
C33 C32 O6 Dy3 120.7(4) . . . . ?
C31 C32 O6 Dy3 -61.2(5) . . . . ?
C41 C42 O7 Dy2 -54.5(5) . . . . ?
C43 C42 O7 Dy2 125.4(4) . . . . ?
C61 C62 O10 Dy4 69.1(5) . . . . ?
C63 C62 O10 Dy4 -110.8(4) . . . . ?
C73 C72 O11 Dy3 -124.1(4) . . . . ?
C71 C72 O11 Dy3 56.6(5) . . . . ?
C93 C92 O14 Dy1 120.0(4) . . . . ?
C91 C92 O14 Dy1 -61.0(5) . . . . ?
C103 C102 O15 Dy4 122.9(4) . . . . ?
C101 C102 O15 Dy4 -55.9(5) . . . . ?
C306 C205 O22 Dy3 -73(2) . . . . ?
C206 C205 O22 Dy3 -129.4(4) . . . . ?
Dy1 O1 P1 C1 159.29(17) . . . . ?
Dy2 O1 P1 C1 46.7(2) . . . . ?
Dy1 O1 P1 C11 39.3(2) . . . . ?
Dy2 O1 P1 C11 -73.32(19) . . . . ?
Dy1 O1 P1 C21 -79.0(2) . . . . ?
Dy2 O1 P1 C21 168.40(17) . . . . ?
C6 C1 P1 O1 127.2(3) . . . . ?
C2 C1 P1 O1 -56.7(3) . . . . ?
C6 C1 P1 C11 -108.9(4) . . . . ?
C2 C1 P1 C11 67.2(3) . . . . ?
C6 C1 P1 C21 2.2(4) . . . . ?
C2 C1 P1 C21 178.3(3) . . . . ?
C16 C11 P1 O1 137.2(3) . . . . ?
C12 C11 P1 O1 -48.7(3) . . . . ?
C16 C11 P1 C1 13.8(4) . . . . ?
C12 C11 P1 C1 -172.1(3) . . . . ?
C16 C11 P1 C21 -99.4(3) . . . . ?
C12 C11 P1 C21 74.7(3) . . . . ?
C22 C21 P1 O1 -21.2(4) . . . . ?
C26 C21 P1 O1 162.4(3) . . . . ?
C22 C21 P1 C1 103.2(4) . . . . ?
C26 C21 P1 C1 -73.2(4) . . . . ?
C22 C21 P1 C11 -144.4(4) . . . . ?
C26 C21 P1 C11 39.2(4) . . . . ?
Dy2 O5 P2 C31 -162.16(17) . . . . ?
Dy3 O5 P2 C31 -48.0(2) . . . . ?
Dy2 O5 P2 C41 -42.4(2) . . . . ?
Dy3 O5 P2 C41 71.7(2) . . . . ?
Dy2 O5 P2 C51 76.9(2) . . . . ?
Dy3 O5 P2 C51 -169.03(17) . . . . ?
C36 C31 P2 O5 -128.1(3) . . . . ?
C32 C31 P2 O5 55.3(3) . . . . ?
C36 C31 P2 C41 108.3(3) . . . . ?
C32 C31 P2 C41 -68.2(3) . . . . ?
C36 C31 P2 C51 -3.9(4) . . . . ?
C32 C31 P2 C51 179.6(3) . . . . ?
C46 C41 P2 O5 -134.3(3) . . . . ?
C42 C41 P2 O5 51.3(4) . . . . ?
C46 C41 P2 C31 -11.8(4) . . . . ?
C42 C41 P2 C31 173.8(3) . . . . ?
C46 C41 P2 C51 102.0(3) . . . . ?
C42 C41 P2 C51 -72.4(3) . . . . ?
C52 C51 P2 O5 29.4(4) . . . . ?
C56 C51 P2 O5 -155.8(3) . . . . ?
C52 C51 P2 C31 -93.7(4) . . . . ?
C56 C51 P2 C31 81.0(3) . . . . ?
C52 C51 P2 C41 153.2(3) . . . . ?
C56 C51 P2 C41 -32.1(4) . . . . ?
Dy3 O9 P3 C61 160.88(16) . . . . ?
Dy4 O9 P3 C61 46.8(2) . . . . ?
Dy3 O9 P3 C71 39.6(2) . . . . ?
Dy4 O9 P3 C71 -74.4(2) . . . . ?
Dy3 O9 P3 C81 -78.6(2) . . . . ?
Dy4 O9 P3 C81 167.35(17) . . . . ?
C66 C61 P3 O9 126.9(3) . . . . ?
C62 C61 P3 O9 -53.8(3) . . . . ?
C66 C61 P3 C71 -109.3(3) . . . . ?
C62 C61 P3 C71 70.1(3) . . . . ?
C66 C61 P3 C81 2.7(4) . . . . ?
C62 C61 P3 C81 -178.0(3) . . . . ?
C76 C71 P3 O9 137.0(3) . . . . ?
C72 C71 P3 O9 -51.0(3) . . . . ?
C76 C71 P3 C61 14.2(4) . . . . ?
C72 C71 P3 C61 -173.9(3) . . . . ?
C76 C71 P3 C81 -99.6(3) . . . . ?
C72 C71 P3 C81 72.4(3) . . . . ?
C82 C81 P3 O9 -26.2(4) . . . . ?
C86 C81 P3 O9 159.7(3) . . . . ?
C82 C81 P3 C61 96.5(4) . . . . ?
C86 C81 P3 C61 -77.7(4) . . . . ?
C82 C81 P3 C71 -149.0(4) . . . . ?
C86 C81 P3 C71 36.8(4) . . . . ?
Dy4 O13 P4 C101 -46.8(2) . . . . ?
Dy1 O13 P4 C101 69.9(2) . . . . ?
Dy4 O13 P4 C91 -165.61(17) . . . . ?
Dy1 O13 P4 C91 -49.0(2) . . . . ?
Dy4 O13 P4 C111 73.8(2) . . . . ?
Dy1 O13 P4 C111 -169.54(16) . . . . ?
C106 C101 P4 O13 -133.1(3) . . . . ?
C102 C101 P4 O13 48.9(3) . . . . ?
C106 C101 P4 C91 -12.4(4) . . . . ?
C102 C101 P4 C91 169.6(3) . . . . ?
C106 C101 P4 C111 101.5(3) . . . . ?
C102 C101 P4 C111 -76.6(3) . . . . ?
C96 C91 P4 O13 -124.6(3) . . . . ?
C92 C91 P4 O13 56.7(3) . . . . ?
C96 C91 P4 C101 113.5(3) . . . . ?
C92 C91 P4 C101 -65.3(3) . . . . ?
C96 C91 P4 C111 0.4(4) . . . . ?
C92 C91 P4 C111 -178.3(3) . . . . ?
C116 C111 P4 O13 -154.1(3) . . . . ?
C112 C111 P4 O13 35.5(4) . . . . ?
C116 C111 P4 C101 -30.2(4) . . . . ?
C112 C111 P4 C101 159.4(3) . . . . ?
C116 C111 P4 C91 83.6(3) . . . . ?
C112 C111 P4 C91 -86.8(3) . . . . ?
Dy1 O23 C280 C281 -138.5(3) . . . . ?
Dy4 O24 C600 C608 133.4(9) . . . . ?

_refine_diff_density_max         0.887
_refine_diff_density_min         -1.176
_refine_diff_density_rms         0.078



