# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_exp_1_auto_sq
_database_code_depnum_ccdc_archive 'CCDC 2174802'
loop_
_audit_author_name
_audit_author_address
'Kiyonori Takahashi'
;Hokkaido University
Japan
;
_audit_update_record             
;
2022-07-04 deposited with the CCDC.	2022-07-20 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT214_exp_1_auto_sq       
;
PROBLEM: Atom O64       (Anion/Solvent) ADP max/min Ratio        5.1 prolat
RESPONSE: due to severe disordering of the guest molecule of H2O. This kind of disorder is nature of this material.
;
_vrf_PLAT230_exp_1_auto_sq       
;
PROBLEM: Hirshfeld Test Diff for    O17      --C46      .        8.0 s.u.
RESPONSE: due to the low structural regularity of supramolecular cations. This kind of structural tendency is nature of this material which includes guest molecules easy to be released.
;
_vrf_PLAT234_exp_1_auto_sq       
;
PROBLEM: Large Hirshfeld Difference O7       --C32      .       0.28 Ang.
RESPONSE: due to the low structural regularity of supramolecular cations. This kind of structural tendency is nature of this material which includes guest molecules easy to be released.
;
_vrf_PLAT241_exp_1_auto_sq       
;
PROBLEM: High   'MainMol' Ueq as Compared to Neighbors of        O31 Check
RESPONSE: due to the low structural regularity of supramolecular cations. Supramolecular cation has a possibility to be dynamic nature in the crystal responsible to the loss of H2O molecules.
;
_vrf_PLAT242_exp_1_auto_sq       
;
PROBLEM: Low    'MainMol' Ueq as Compared to Neighbors of        C24 Check
RESPONSE: due to the low structural regularity of supramolecular cations. This kind of structural tendency is nature of this material which includes guest molecules easy to be released.
;
_vrf_PLAT260_exp_1_auto_sq       
;
PROBLEM: Large Average Ueq of Residue Including       O37      0.463 Check
RESPONSE: due to severe disordering of the guest molecule of H2O. This kind of disorder is nature of this material.
;
_vrf_PLAT260_exp_1_auto_sq_2     
;
PROBLEM: Large Average Ueq of Residue Including       O41      0.342 Check
RESPONSE: due to severe disordering of the guest molecule of H2O. This kind of disorder is nature of this material.
;
_vrf_PLAT260_exp_1_auto_sq_3     
;
PROBLEM: Large Average Ueq of Residue Including       O64      0.417 Check
RESPONSE: due to severe disordering of the guest molecule of H2O. This kind of disorder is nature of this material.
;
_vrf_PLAT260_exp_1_auto_sq_4     
;
PROBLEM: Large Average Ueq of Residue Including       O77      0.676 Check
RESPONSE: due to severe disordering of the guest molecule of H2O. This kind of disorder is nature of this material.
;
_vrf_PLAT260_exp_1_auto_sq_5     
;
PROBLEM: Large Average Ueq of Residue Including       O88      0.937 Check
RESPONSE: due to severe disordering of the guest molecule of H2O. This kind of disorder is nature of this material.
;
_vrf_PLAT306_exp_1_auto_sq       
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O37 Check
RESPONSE: Due to the severe disordering of H2O in the crystal, it is difficult to assign H-atoms bonded to O atoms.
;
_vrf_PLAT306_exp_1_auto_sq_2     
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O41 Check
RESPONSE: due to severe disordering of the guest molecule of H2O. This kind of disorder is nature of this material.
;
_vrf_PLAT306_exp_1_auto_sq_3     
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O51 Check
RESPONSE: due to severe disordering of the guest molecule of H2O. This kind of disorder is nature of this material.
;
_vrf_PLAT306_exp_1_auto_sq_4     
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O64 Check
RESPONSE: due to severe disordering of the guest molecule of H2O. This kind of disorder is nature of this material.
;
_vrf_PLAT306_exp_1_auto_sq_5     
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O77 Check
RESPONSE: due to severe disordering of the guest molecule of H2O. This kind of disorder is nature of this material.
;
_vrf_PLAT306_exp_1_auto_sq_6     
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O88 Check
RESPONSE: due to severe disordering of the guest molecule of H2O. This kind of disorder is nature of this material.
;
_vrf_PLAT342_exp_1_auto_sq       
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.04545 Ang.
RESPONSE: Due to low structural regularity in the atom positions for supramolecular cation because of the loss of guest H2O molecules in ambient condtion.
;
_vrf_PLAT430_exp_1_auto_sq       
;
PROBLEM: Short Inter D...A Contact  O41      ..O58      .       2.83 Ang.
RESPONSE: Due to the severe disordering of H2O in the crystal, it is difficult to assign H-atoms bonded to O atoms.
;
_vrf_PLAT430_exp_1_auto_sq_2     
;
PROBLEM: Short Inter D...A Contact  O51      ..O70      .       2.82 Ang.
RESPONSE: Due to the severe disordering of H2O in the crystal, it is difficult to assign H-atoms bonded to O atoms.
;
_vrf_PLAT430_exp_1_auto_sq_3     
;
PROBLEM: Short Inter D...A Contact  O64      ..O77      .       2.57 Ang.
RESPONSE: Due to the severe disordering of H2O in the crystal, it is difficult to assign H-atoms bonded to O atoms.
;
# Added during the CSD deposition process: Monday 04 July 2022 05:12 AM
# end Validation Reply Form

_audit_creation_date             2022-07-04
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'Dy2 F O82 P2 W22, 2(C16 H24 Na O7), 2(C16 H24 Na O7.75), 2(C16 H22 Na O7.5), 2(C16 H22 Na O6.5), 12(O)'
_chemical_formula_sum            'C128 H184 Dy2 F2 Na8 O154.65 P2 W22'
_chemical_formula_weight         8850.70
_chemical_melting_point          ?
_chemical_oxdiff_formula         Na10C130H260O110W22P2Dy3
_chemical_oxdiff_usercomment     94k
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'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.1353 0.1239 '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'
W W -5.4734 5.5774 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   17.5657(6)
_cell_length_b                   17.8718(6)
_cell_length_c                   24.6678(7)
_cell_angle_alpha                83.624(3)
_cell_angle_beta                 78.593(3)
_cell_angle_gamma                66.807(3)
_cell_volume                     6972.8(4)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    22972
_cell_measurement_temperature    98(4)
_cell_measurement_theta_max      71.9060
_cell_measurement_theta_min      3.5280
_shelx_estimated_absorpt_T_max   0.351
_shelx_estimated_absorpt_T_min   0.172
_exptl_absorpt_coefficient_mu    20.085
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.41590
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.99a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.108
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4085
_exptl_crystal_size_max          0.135
_exptl_crystal_size_mid          0.067
_exptl_crystal_size_min          0.066
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0440
_diffrn_reflns_av_unetI/netI     0.0497
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.956
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            81221
_diffrn_reflns_point_group_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.956
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.560
_diffrn_reflns_theta_min         2.692
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      98(4)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 5.8140
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -73.00 -30.00   0.50    0.63    --    0.00   9.00   0.00   86
  2  ω    -83.00  -4.00   0.50    2.51    --    5.00  46.00 -60.00  158
  3  ω      2.00  73.00   0.50    2.51    --    5.00  46.00 -60.00  142
  4  ω    -83.00  94.00   0.50    2.51    --    5.00  18.00-180.00  354
  5  ω   -184.00-120.00   0.50    2.51    --  -95.70  55.00-171.05  128
  6  ω   -164.00-137.00   0.50    2.51    --  -95.70  55.00 125.00   54
  7  ω   -185.00 -74.00   0.50    2.51    --  -95.70  55.00  80.93  222
  8  ω   -183.00-136.00   0.50    2.51    --  -95.70  55.00-109.74   94
  9  ω    -84.00 -23.00   0.50    2.51    --  -95.70  53.00-154.76  122
 10  ω   -131.00  -7.00   0.50    2.51    --  -95.70  55.00-109.74  248
 11  ω   -185.00  -7.00   0.50    2.51    --  -95.70  55.00 -36.55  356
 12  ω   -104.00  -6.00   0.50    2.51    --  -95.70  55.00-171.05  196
 13  ω   -159.00-132.00   0.50    2.51    --  -95.70  55.00  -0.41   54
 14  ω   -120.00 -93.00   0.50    2.51    --  -95.70  55.00 125.00   54
 15  ω   -184.00-159.00   0.50    2.51    --  -95.70  53.00-154.76   50
 16  ω   -133.00 -23.00   0.50    2.51    --  -95.70  54.00 -89.50  220
 17  ω   -102.00 -74.00   0.50    2.51    --  -95.70  55.00  -0.41   56
 18  ω   -184.00 -86.00   0.50    2.51    --  -95.70  55.00 151.10  196
 19  ω   -180.00  -6.00   0.50    2.51    --  -95.70  55.00 -55.28  348
 20  ω   -175.00-150.00   0.50    2.51    --  -95.70  55.00-122.64   50
 21  ω   -169.00-139.00   0.50    2.51    --  -95.70  55.00  13.17   60
 22  ω   -135.00 -27.00   0.50    2.51    --  -95.70  55.00  13.17  216
 23  ω   -152.00-118.00   0.50    2.51    --  -95.70  55.00  29.19   68
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC11 (RCD3): quarter-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0461949000
_diffrn_orient_matrix_UB_12      -0.0287278000
_diffrn_orient_matrix_UB_13      -0.0584336000
_diffrn_orient_matrix_UB_21      -0.0801698000
_diffrn_orient_matrix_UB_22      0.0523756000
_diffrn_orient_matrix_UB_23      -0.0238697000
_diffrn_orient_matrix_UB_31      0.0284430000
_diffrn_orient_matrix_UB_32      0.0723744000
_diffrn_orient_matrix_UB_33      -0.0089635000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                17642
_reflns_number_total             26470
_reflns_odcompleteness_completeness 98.42
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.99a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.99a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.99a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         3.471
_refine_diff_density_min         -1.704
_refine_diff_density_rms         0.258
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1508
_refine_ls_number_reflns         26470
_refine_ls_number_restraints     517
_refine_ls_R_factor_all          0.1056
_refine_ls_R_factor_gt           0.0824
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1826P)²+9.3814P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2460
_refine_ls_wR_factor_ref         0.2705
_refine_special_details          SQUEEZE
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 C57-O23
 1.47 with sigma of 0.02
 O14-C40 = O13-C39 = O13-C38 = O18-C33 = O18-C48 = O17-C47 = O16-C45 = O17-C46
 = O16-C44 = O14-C41 = O9-C28 = O10-C26 = O11-C65 = O11-C24 = O7-C32 = O8-C31 =
 O9-C29
 1.47 with sigma of 0.02
 O3-Na5
 2.5 with sigma of 0.02
 C49-O19
 1.47 with sigma of 0.02
 C11-O86
 1.47 with sigma of 0.02
 C12-C11
 1.52 with sigma of 0.02
 O20-C63 = O19-C64 = O24-C54 = O24-C55
 1.47 with sigma of 0.02
 C58-O22
 1.47 with sigma of 0.02
 C12-O3
 1.47 with sigma of 0.02
 O22-C59
 1.47 with sigma of 0.02
 C23-C24
 1.55 with sigma of 0.02
 C60-C59
 1.5 with sigma of 0.02
 C61-C62
 1.47 with sigma of 0.02
 C44-C43
 1.52 with sigma of 0.02
 C62-O20
 1.47 with sigma of 0.02
 O15-C42 = O15-C43
 1.47 with sigma of 0.02
 C8-C7
 1.55 with sigma of 0.001
 C60-O21
 1.47 with sigma of 0.02
 C42-C41
 1.52 with sigma of 0.02
 O21-C61
 1.47 with sigma of 0.02
 C15-O2
 1.47 with sigma of 0.02
 C32-C31
 1.55 with sigma of 0.02
 C39-C40
 1.55 with sigma of 0.02
 C47-C48
 1.5 with sigma of 0.02
 C15-O83
 2.4 with sigma of 0.04
 O8-C29
 2.4 with sigma of 0.04
 Na5-C11
 3.4 with sigma of 0.04
 C14-Na5
 3.3 with sigma of 0.04
 O11-C23
 2.3 with sigma of 0.04
 Na2-C65
 3.3 with sigma of 0.04
 Na5-C15
 3.44 with sigma of 0.04
 C11-C10
 2.4 with sigma of 0.04
 O3-C11
 2.3 with sigma of 0.04
 C12-O86
 2.4 with sigma of 0.04
 C13-C12
 2.4 with sigma of 0.04
 C59-C58
 2.4 with sigma of 0.04
 C24-O12
 2.3 with sigma of 0.04
 O23-C58
 2.3 with sigma of 0.04
 O3-C14
 2.4 with sigma of 0.04
 C15-C14
 2.3 with sigma of 0.04
 C43-C42
 2.4 with sigma of 0.04
 C60-C61
 2.4 with sigma of 0.04
 O15-C44
 2.4 with sigma of 0.04
 O21-C59
 2.4 with sigma of 0.04
 C62-O21
 2.4 with sigma of 0.04
 C10-O5
 2.4 with sigma of 0.04
 C9-C8
 2.3 with sigma of 0.04
3. Rigid bond restraints
 C23, C24, O11, C65
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C11, C12
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C49, C54, O24
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 O5, C8, C7, O6
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C18, C19
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
O8 \\sim C30 \\sim C29 \\sim O9 \\sim C28: within 2A with sigma of 0.04 and
sigma for terminal atoms of 0.08 within 2A
C2 \\sim C3 \\sim C4 \\sim C5 \\sim C6 \\sim C1: within 2A with sigma of 0.04
and sigma for terminal atoms of 0.08 within 2A
Na5 \\sim Na5: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
C26 \\sim C65 \\sim O11: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08 within 2A
O86 \\sim C11 \\sim C12 \\sim O3 \\sim C13 \\sim C14 \\sim O2: within 2A with
sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A
C26 \\sim O10 \\sim C27: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 2A
C49 \\sim C50 \\sim C51 \\sim C52 \\sim C53 \\sim C54: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08 within 2A
O24 \\sim C55 \\sim C56: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08 within 2A
O8 \\sim C31 \\sim C32: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08 within 2A
C59 \\sim O22 \\sim C58: within 2A with sigma of 0.02 and sigma for terminal
atoms of 0.04 within 2A
C21 \\sim C20 \\sim C19: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08 within 2A
O86 \\sim C10 \\sim C9: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08 within 2A
O7 \\sim C17 \\sim C22 \\sim O12: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08 within 2A
O14 \\sim C41 \\sim C42: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08 within 2A
O20 \\sim C62 \\sim C61 \\sim O21 \\sim C60 \\sim C59: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08 within 2A
O17 \\sim C47 \\sim C48: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08 within 2A
O15 \\sim C43 \\sim C44: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08 within 2A
Na2: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C16 \\sim C15 \\sim O2: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08 within 2A
C32 \\sim O7: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08
within 2A
C39 \\sim C40 \\sim O14: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08 within 2A
Uanis(O88) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(O29) \\sim Ueq: with sigma of 0.08 and sigma for terminal atoms of 0.16
Uanis(O64) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(O77) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(O37) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
5. Rigid body (RIGU) restrains
 C28, O9
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C28, C27
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C1, O83
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O23, C57, C58
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C33, C34, C35, C36, C37, C38
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C56, O23
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O15, C42
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Sof(O68)=Sof(O82)=Sof(O52)=Sof(O53)=Sof(O84)=Sof(O85)=Sof(O128)=Sof(O69)=
 Sof(O59)=Sof(O66)=Sof(W2A)=Sof(W11A)=Sof(W7A)=Sof(W9A)=1-FVAR(1)
 Sof(W2)=Sof(W7)=Sof(W9)=Sof(W11)=Sof(O49)=Sof(O57)=Sof(O47)=Sof(O33)=Sof(O36)=
 Sof(O46)=Sof(O32)=Sof(O42)=Sof(O76)=Sof(O54)=FVAR(1)
 Fixed Sof: O30(0.75) O27(0.5) O25(0.5)
7.a Secondary CH2 refined with riding coordinates:
 C63(H63A,H63B), C64(H64A,H64B), C31(H31A,H31B), C45(H45A,H45B), C48(H48A,
 H48B), C56(H56A,H56B), C55(H55A,H55B), C39(H39A,H39B), C16(H16A,H16B),
 C32(H32A,H32B), C14(H14A,H14B), C46(H46A,H46B), C44(H44A,H44B), C26(H26A,H26B),
  C40(H40A,H40B), C41(H41A,H41B), C47(H47A,H47B), C24(H24A,H24B), C65(H65A,
 H65B), C8(H8A,H8B), C7(H7A,H7B), C29(H29A,H29B), C28(H28A,H28B), C15(H15A,
 H15B), C12(H12A,H12B), C9(H9A,H9B), C10(H10A,H10B), C58(H58A,H58B), C23(H23A,
 H23B), C30(H30A,H30B), C57(H57A,H57B), C60(H60A,H60B), C61(H61A,H61B),
 C62(H62A,H62B), C59(H59A,H59B), C11(H11A,H11B), C42(H42A,H42B), C43(H43A,H43B)
7.b Aromatic/amide H refined with riding coordinates:
 C37(H37), C36(H36), C35(H35), C34(H34), C5(H5), C4(H4), C3(H3), C2(H2),
 C52(H52), C53(H53), C50(H50), C51(H51), C18(H18), C19(H19), C20(H20), C21(H21)
7.c Fitted hexagon refined as free rotating group:
 C33(C38,C37,C36,C35,C34), C6(C5,C4,C3,C2,C1), C52(C53,C54,C49,C50,C51),
 C17(C18,C19,C20,C21,C22)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
W1 W 0.47498(4) 0.32029(4) 0.31110(3) 0.0744(2) Uani 1 1 d . . . . .
W2 W 0.64466(13) -0.08629(19) 0.22315(12) 0.0630(8) Uani 0.556(8) 1 d . . P A 1
W3 W 0.33997(4) 0.21065(4) 0.31926(3) 0.07426(19) Uani 1 1 d . . . . .
W4 W 0.64798(4) 0.18045(5) 0.13628(3) 0.0779(2) Uani 1 1 d . . . . .
W5 W 0.42291(5) 0.00927(5) 0.27611(3) 0.0790(2) Uani 1 1 d . . . . .
W6 W 0.68627(4) -0.04208(4) 0.34961(3) 0.0791(2) Uani 1 1 d . . . . .
W7 W 0.6090(4) 0.1529(4) 0.3948(3) 0.0643(8) Uani 0.556(8) 1 d . . P A 1
W8 W 0.69332(5) 0.22531(5) 0.26057(4) 0.0932(2) Uani 1 1 d . . . . .
W9 W 0.51352(18) 0.0716(3) 0.14234(16) 0.0806(15) Uani 0.556(8) 1 d . . P A 1
W11 W 0.4364(5) 0.2771(6) 0.1835(4) 0.0753(12) Uani 0.556(8) 1 d . . P A 1
Dy18 Dy 0.45594(7) 0.04197(6) 0.42104(3) 0.0879(3) Uani 1 1 d . . . . .
P P 0.55818(19) 0.11680(19) 0.26813(12) 0.0641(8) Uani 1 1 d . . . . .
O72 O 0.4397(8) 0.0459(10) 0.1963(5) 0.138(6) Uani 1 1 d . . . . .
O43 O 0.7382(10) 0.0813(8) 0.1545(7) 0.135(5) Uani 1 1 d . . . . .
O34 O 0.3519(10) 0.2533(9) 0.2407(6) 0.125(5) Uani 1 1 d . . . . .
O39 O 0.5372(8) 0.2649(8) 0.1472(7) 0.126(5) Uani 1 1 d . . . . .
O78 O 0.7666(8) -0.0171(9) 0.2876(5) 0.114(4) Uani 1 1 d . . . . .
O67 O 0.5320(11) -0.0690(12) 0.2554(5) 0.159(7) Uani 1 1 d . . . . .
Na3 Na 0.3264(11) 0.4264(7) 0.5927(5) 0.201(6) Uani 1 1 d . . . . .
O38 O 0.5219(7) 0.2620(9) 0.3718(5) 0.119(4) Uani 1 1 d . . . . .
O55 O 0.6714(8) -0.1002(9) 0.2933(5) 0.113(4) Uani 1 1 d . . . . .
O62 O 0.7339(9) -0.0521(10) 0.1983(5) 0.126(5) Uani 1 1 d . . . . .
O73 O 0.3826(7) 0.2883(7) 0.3364(4) 0.095(3) Uani 1 1 d . . . . .
O81 O 0.3660(8) 0.3543(8) 0.1495(5) 0.110(4) Uani 1 1 d . . . . .
O40 O 0.4521(10) 0.3350(8) 0.2361(5) 0.120(4) Uani 1 1 d . . . . .
O58 O 0.3434(7) 0.1044(8) 0.4920(5) 0.113(4) Uani 1 1 d . . . . .
O44 O 0.3464(9) 0.1202(8) 0.2850(4) 0.116(4) Uani 1 1 d . . . . .
O63 O 0.6003(7) 0.1104(7) 0.1172(6) 0.113(4) Uani 1 1 d . . . . .
O48 O 0.4930(7) 0.0490(8) 0.0849(4) 0.098(3) Uani 1 1 d . . . . .
O56 O 0.6834(7) 0.1895(9) 0.3311(6) 0.137(6) Uani 1 1 d . . . . .
O60 O 0.6855(9) 0.0509(9) 0.3787(6) 0.128(4) Uani 1 1 d . . . . .
O31 O 0.5940(12) -0.0391(9) 0.3887(7) 0.164(7) Uani 1 1 d . . . . .
O18 O 0.3212(13) 0.5018(10) 0.5014(7) 0.183(8) Uani 1 1 d D . . . .
O1A O 0.5984(9) -0.0282(9) 0.1596(5) 0.132(5) Uani 1 1 d . . . . .
O45 O 0.4324(9) 0.4138(7) 0.3314(5) 0.117(4) Uani 1 1 d . . . . .
O70 O 0.4186(8) -0.0716(6) 0.4532(5) 0.098(3) Uani 1 1 d . . . . .
O35 O 0.6715(9) 0.2345(9) 0.1863(8) 0.146(6) Uani 1 1 d . . . . .
C33 C 0.3758(12) 0.5474(12) 0.4826(8) 0.154(9) Uani 1 1 d DG . . . .
C38 C 0.3931(13) 0.5776(13) 0.5262(6) 0.182(11) Uani 1 1 d DG . . . .
C37 C 0.4381(13) 0.6280(12) 0.5156(8) 0.180(11) Uani 1 1 d G . . . .
H37 H 0.449979 0.648618 0.545451 0.216 Uiso 1 1 calc R U . . .
C36 C 0.4657(12) 0.6482(11) 0.4613(10) 0.224(15) Uani 1 1 d G . . . .
H36 H 0.496500 0.682711 0.454103 0.269 Uiso 1 1 calc R U . . .
C35 C 0.4484(14) 0.6181(12) 0.4177(7) 0.204(13) Uani 1 1 d G . . . .
H35 H 0.467278 0.631916 0.380603 0.245 Uiso 1 1 calc R U . . .
C34 C 0.4034(13) 0.5676(12) 0.4283(7) 0.185(11) Uani 1 1 d G . . . .
H34 H 0.391533 0.547027 0.398452 0.222 Uiso 1 1 calc R U . . .
O49 O 0.4562(12) -0.0049(10) 0.3427(6) 0.063(4) Uani 0.556(8) 1 d . . P A 1
O65 O 0.6809(9) -0.1800(7) 0.2015(5) 0.116(4) Uani 1 1 d . . . . .
O24 O 0.5139(14) 0.2726(10) -0.1833(7) 0.184(8) Uani 1 1 d D U . . .
O57 O 0.7374(18) -0.1089(12) 0.3959(9) 0.098(7) Uani 0.556(8) 1 d . . P A 1
O61 O 0.4453(8) 0.1833(9) 0.1494(8) 0.144(6) Uani 1 1 d . . . . .
O47 O 0.6242(19) 0.1759(15) 0.4553(10) 0.102(9) Uani 0.556(8) 1 d . . P A 1
O12 O 0.1667(13) 0.1285(19) 0.1655(10) 0.239(11) Uani 1 1 d D U . . .
O16 O 0.4060(16) 0.2706(13) 0.5860(9) 0.186(8) Uani 1 1 d D . . . .
O5 O 0.1705(13) 0.0240(17) 0.4638(11) 0.219(10) Uani 1 1 d D U . . .
O13 O 0.3479(15) 0.5596(13) 0.5788(7) 0.205(9) Uani 1 1 d D . . . .
O75 O 0.7754(11) 0.1160(11) 0.2404(8) 0.174(8) Uani 1 1 d . . . . .
O50 O 0.3609(8) -0.0389(9) 0.2718(7) 0.129(5) Uani 1 1 d . . . . .
O19 O 0.5020(13) 0.4229(10) -0.2027(6) 0.161(7) Uani 1 1 d D . . . .
O6 O 0.1032(11) 0.0768(16) 0.3680(8) 0.197(9) Uani 1 1 d . U . . .
C63 C 0.418(2) 0.5558(17) -0.1708(10) 0.203(15) Uani 1 1 d D . . . .
H63A H 0.369867 0.557319 -0.186098 0.244 Uiso 1 1 calc R U . . .
H63B H 0.415226 0.612195 -0.169760 0.244 Uiso 1 1 calc R U . . .
O33 O 0.2362(11) 0.2781(14) 0.3252(8) 0.083(6) Uani 0.556(8) 1 d . . P A 1
O83 O -0.0514(10) 0.1174(15) 0.3698(9) 0.193(9) Uani 1 1 d D . . . .
O80 O 0.6863(13) 0.2126(10) 0.0753(7) 0.161(6) Uani 1 1 d . . . . .
C64 C 0.497(3) 0.5060(15) -0.2042(15) 0.24(2) Uani 1 1 d D . . . .
H64A H 0.499823 0.527978 -0.242896 0.293 Uiso 1 1 calc R U . . .
H64B H 0.545248 0.507150 -0.189623 0.293 Uiso 1 1 calc R U . . .
C31 C -0.102(2) 0.216(3) 0.1156(17) 0.331(17) Uani 1 1 d D U . . .
H31A H -0.163181 0.231672 0.115549 0.397 Uiso 1 1 calc R U . . .
H31B H -0.086521 0.263677 0.107336 0.397 Uiso 1 1 calc R U . . .
C45 C 0.3761(16) 0.2288(16) 0.5532(12) 0.165(11) Uani 1 1 d D . . . .
H45A H 0.320616 0.227881 0.570547 0.198 Uiso 1 1 calc R U . . .
H45B H 0.416845 0.172689 0.545088 0.198 Uiso 1 1 calc R U . . .
C6 C 0.0862(15) 0.0462(18) 0.3306(9) 0.219(12) Uani 1 1 d G U . . .
C5 C 0.1430(12) -0.0080(17) 0.2915(10) 0.248(14) Uani 1 1 d G U . . .
H5 H 0.201678 -0.024477 0.290496 0.297 Uiso 1 1 calc R U . . .
C4 C 0.1139(15) -0.0381(18) 0.2537(10) 0.270(14) Uani 1 1 d G U . . .
H4 H 0.152757 -0.075169 0.226976 0.324 Uiso 1 1 calc R U . . .
C3 C 0.0281(17) -0.0141(19) 0.2552(11) 0.275(15) Uani 1 1 d G U . . .
H3 H 0.008219 -0.034637 0.229384 0.330 Uiso 1 1 calc R U . . .
C2 C -0.0287(13) 0.0401(19) 0.2943(11) 0.243(13) Uani 1 1 d G U . . .
H2 H -0.087398 0.056588 0.295313 0.291 Uiso 1 1 calc R U . . .
C1 C 0.0003(14) 0.0702(18) 0.3321(10) 0.233(13) Uani 1 1 d G U . . .
C48 C 0.315(3) 0.463(2) 0.4532(10) 0.242(15) Uani 1 1 d D U . . .
H48A H 0.296604 0.503960 0.423364 0.290 Uiso 1 1 calc R U . . .
H48B H 0.371212 0.421524 0.438610 0.290 Uiso 1 1 calc R U . . .
C56 C 0.473(3) 0.1794(18) -0.1184(16) 0.221(13) Uani 1 1 d . U . . .
H56A H 0.417194 0.196483 -0.129887 0.265 Uiso 1 1 calc R U . . .
H56B H 0.489156 0.121537 -0.105701 0.265 Uiso 1 1 calc R U . . .
O7 O 0.0092(13) 0.172(2) 0.1595(10) 0.250(11) Uani 1 1 d D U . . .
O79 O 0.8842(7) -0.0261(8) 0.1941(5) 0.105(3) Uani 1 1 d . . . . .
O20 O 0.419(2) 0.5171(13) -0.1153(8) 0.282(14) Uani 1 1 d D U . . .
C55 C 0.536(3) 0.1841(14) -0.1702(16) 0.240(14) Uani 1 1 d D U . . .
H55A H 0.594607 0.158152 -0.162449 0.288 Uiso 1 1 calc R U . . .
H55B H 0.531647 0.156630 -0.201343 0.288 Uiso 1 1 calc R U . . .
C39 C 0.370(2) 0.5922(17) 0.6226(11) 0.246(18) Uani 1 1 d D U . . .
H39A H 0.359806 0.650718 0.615729 0.295 Uiso 1 1 calc R U . . .
H39B H 0.429347 0.561531 0.627210 0.295 Uiso 1 1 calc R U . . .
O71 O 0.5870(9) 0.3060(10) 0.2738(6) 0.142(6) Uani 1 1 d . . . . .
Na5 Na -0.0019(10) 0.1215(16) 0.4647(8) 0.319(12) Uani 1 1 d D . . . .
C16 C -0.1365(18) 0.145(2) 0.3665(16) 0.245(16) Uani 1 1 d . U . . .
H16A H -0.155904 0.099380 0.371369 0.294 Uiso 1 1 calc R U . . .
H16B H -0.147684 0.173627 0.330402 0.294 Uiso 1 1 calc R U . . .
O17 O 0.2933(15) 0.3600(12) 0.5133(9) 0.220(10) Uani 1 1 d D U . . .
O3 O -0.0898(18) 0.177(3) 0.5558(11) 0.339(16) Uani 1 1 d D U . . .
C32 C -0.0736(15) 0.167(3) 0.1673(14) 0.250(13) Uani 1 1 d D U . . .
H32A H -0.110232 0.193048 0.201571 0.301 Uiso 1 1 calc R U . . .
H32B H -0.069393 0.110219 0.167267 0.301 Uiso 1 1 calc R U . . .
C14 C -0.2047(18) 0.225(3) 0.5090(16) 0.265(15) Uani 1 1 d D U . . .
H14A H -0.265024 0.235708 0.511898 0.318 Uiso 1 1 calc R U . . .
H14B H -0.196897 0.277378 0.499047 0.318 Uiso 1 1 calc R U . . .
C52 C 0.6941(16) 0.2427(12) -0.3009(11) 0.286(17) Uani 1 1 d G U . . .
H52 H 0.738076 0.201437 -0.322565 0.344 Uiso 1 1 calc R U . . .
C53 C 0.6432(18) 0.2217(9) -0.2563(11) 0.263(16) Uani 1 1 d G U . . .
H53 H 0.652355 0.165995 -0.247630 0.316 Uiso 1 1 calc R U . . .
C54 C 0.5789(16) 0.2821(14) -0.2246(9) 0.206(11) Uani 1 1 d DG U . . .
C49 C 0.5656(15) 0.3635(12) -0.2373(10) 0.218(12) Uani 1 1 d DG U . . .
C50 C 0.6165(18) 0.3846(10) -0.2819(11) 0.260(15) Uani 1 1 d G U . . .
H50 H 0.607374 0.440279 -0.290566 0.312 Uiso 1 1 calc R U . . .
C51 C 0.6808(17) 0.3242(15) -0.3136(10) 0.275(15) Uani 1 1 d G U . . .
H51 H 0.715584 0.338582 -0.344033 0.330 Uiso 1 1 calc R U . . .
C46 C 0.3711(16) 0.2868(14) 0.5020(16) 0.196(16) Uani 1 1 d D . . . .
H46A H 0.420599 0.302143 0.494172 0.236 Uiso 1 1 calc R U . . .
H46B H 0.370275 0.259658 0.469345 0.236 Uiso 1 1 calc R U . . .
C44 C 0.407(3) 0.2194(16) 0.6354(10) 0.223(15) Uani 1 1 d D U . . .
H44A H 0.447987 0.163328 0.627965 0.267 Uiso 1 1 calc R U . . .
H44B H 0.350502 0.217344 0.648412 0.267 Uiso 1 1 calc R U . . .
C26 C 0.311(2) 0.088(4) -0.0228(17) 0.299(13) Uani 1 1 d D U . . .
H26A H 0.308200 0.143965 -0.020155 0.359 Uiso 1 1 calc R U . . .
H26B H 0.352048 0.062525 -0.055952 0.359 Uiso 1 1 calc R U . . .
O36 O 0.5078(13) 0.1331(12) 0.4157(9) 0.082(5) Uani 0.556(8) 1 d . . P A 1
O74 O 0.7575(8) 0.2754(9) 0.2584(4) 0.110(4) Uani 1 1 d . . . . .
O14 O 0.344(3) 0.4907(17) 0.6753(12) 0.310(15) Uani 1 1 d D U . . .
C40 C 0.308(3) 0.5778(19) 0.6726(15) 0.284(17) Uani 1 1 d D U . . .
H40A H 0.309755 0.601397 0.706655 0.341 Uiso 1 1 calc R U . . .
H40B H 0.249873 0.599212 0.665168 0.341 Uiso 1 1 calc R U . . .
C41 C 0.305(4) 0.464(3) 0.7298(18) 0.39(2) Uani 1 1 d D U . . .
H41A H 0.243357 0.488552 0.732782 0.464 Uiso 1 1 calc R U . . .
H41B H 0.320214 0.484947 0.760027 0.464 Uiso 1 1 calc R U . . .
O46 O 0.5789(10) 0.0849(9) 0.3252(6) 0.072(4) Uani 0.556(8) 1 d . . P A 1
O32 O 0.5441(13) 0.0501(10) 0.2395(6) 0.079(5) Uani 0.556(8) 1 d . . P A 1
O42 O 0.6388(9) 0.1330(10) 0.2312(7) 0.076(5) Uani 0.556(8) 1 d . . P A 1
O11 O 0.2796(14) 0.084(3) 0.0780(11) 0.322(16) Uani 1 1 d D U . . .
O9 O 0.080(2) 0.101(3) -0.0187(13) 0.375(18) Uani 1 1 d D U . . .
C47 C 0.255(2) 0.423(2) 0.4719(14) 0.246(13) Uani 1 1 d D U . . .
H47A H 0.246590 0.398689 0.440607 0.295 Uiso 1 1 calc R U . . .
H47B H 0.199752 0.463274 0.488862 0.295 Uiso 1 1 calc R U . . .
O10 O 0.2281(16) 0.086(3) -0.0220(11) 0.299(12) Uani 1 1 d D U . . .
C24 C 0.296(2) 0.0400(19) 0.1309(14) 0.250(17) Uani 1 1 d D U . . .
H24A H 0.356257 0.015379 0.133327 0.300 Uiso 1 1 calc R U . . .
H24B H 0.271111 -0.002124 0.138819 0.300 Uiso 1 1 calc R U . . .
C65 C 0.332(2) 0.036(4) 0.031(2) 0.354(18) Uani 1 1 d D U . . .
H65A H 0.319354 -0.013970 0.030654 0.424 Uiso 1 1 calc R U . . .
H65B H 0.391773 0.018690 0.032691 0.424 Uiso 1 1 calc R U . . .
C8 C 0.2086(17) 0.051(2) 0.4241(9) 0.217(15) Uani 1 1 d D U . . .
H8A H 0.268704 0.030665 0.427581 0.260 Uiso 1 1 calc R U . . .
H8B H 0.185936 0.111345 0.425170 0.260 Uiso 1 1 calc R U . . .
C7 C 0.2012(15) 0.027(2) 0.3676(9) 0.31(2) Uani 1 1 d D U . . .
H7A H 0.216386 -0.032698 0.366387 0.369 Uiso 1 1 calc R U . . .
H7B H 0.235998 0.044508 0.336362 0.369 Uiso 1 1 calc R U . . .
O76 O 0.4856(9) 0.1948(8) 0.2719(6) 0.065(4) Uani 0.556(8) 1 d . . P A 1
O54 O 0.3904(12) 0.1511(10) 0.3776(7) 0.066(4) Uani 0.556(8) 1 d . . P A 1
O2 O -0.1551(14) 0.166(2) 0.4682(13) 0.253(12) Uani 1 1 d D U . . .
Na1 Na 0.4677(11) 0.3661(7) -0.1061(5) 0.207(6) Uani 1 1 d . . . . .
Na2 Na 0.1209(9) 0.1320(14) 0.0681(7) 0.260(9) Uani 1 1 d D . . . .
O28 O 0.186(2) 0.494(4) 0.6098(18) 0.44(4) Uani 1 1 d . . . . .
O68 O 0.5430(11) 0.1494(11) 0.2088(6) 0.063(5) Uani 0.444(8) 1 d . . P A 2
O82 O 0.6295(10) 0.0382(10) 0.2675(6) 0.056(4) Uani 0.444(8) 1 d . . P A 2
O52 O 0.5715(11) 0.1821(11) 0.2984(7) 0.063(5) Uani 0.444(8) 1 d . . P A 2
O53 O 0.4708(9) 0.1060(10) 0.3002(6) 0.051(4) Uani 0.444(8) 1 d . . P A 2
O26 O 0.1312(17) -0.004(2) 0.0897(17) 0.313(17) Uani 1 1 d . . . . .
C29 C -0.011(2) 0.145(4) -0.0225(16) 0.363(19) Uani 1 1 d D U . . .
H29A H -0.022383 0.131731 -0.057049 0.435 Uiso 1 1 calc R U . . .
H29B H -0.025403 0.204598 -0.022925 0.435 Uiso 1 1 calc R U . . .
O84 O 0.5417(14) 0.1236(16) 0.4356(9) 0.089(9) Uani 0.444(8) 1 d . . P A 2
O85 O 0.4096(13) -0.0062(13) 0.3478(9) 0.065(6) Uani 0.444(8) 1 d . . P A 2
O128 O 0.3421(11) 0.1598(11) 0.3847(8) 0.053(4) Uani 0.444(8) 1 d . . P A 2
C28 C 0.130(2) 0.093(3) -0.0736(14) 0.34(2) Uani 1 1 d D U . . .
H28A H 0.123991 0.052043 -0.094570 0.403 Uiso 1 1 calc R U . . .
H28B H 0.114168 0.145737 -0.094739 0.403 Uiso 1 1 calc R U . . .
O8 O -0.0474(19) 0.145(3) 0.0802(13) 0.331(14) Uani 1 1 d D U . . .
C15 C -0.1816(17) 0.207(3) 0.4163(13) 0.263(16) Uani 1 1 d D U . . .
H15A H -0.166937 0.255182 0.408166 0.315 Uiso 1 1 calc R U . . .
H15B H -0.243327 0.224653 0.419899 0.315 Uiso 1 1 calc R U . . .
O86 O 0.0717(19) 0.106(3) 0.5502(15) 0.328(15) Uani 1 1 d D U . . .
C12 C -0.062(2) 0.162(3) 0.6105(13) 0.312(16) Uani 1 1 d D U . . .
H12A H -0.061250 0.108898 0.627739 0.374 Uiso 1 1 calc R U . . .
H12B H -0.097740 0.206042 0.636156 0.374 Uiso 1 1 calc R U . . .
C9 C 0.204(2) 0.003(3) 0.5136(13) 0.29(2) Uani 1 1 d D U . . .
H9A H 0.254987 0.014818 0.509479 0.352 Uiso 1 1 calc R U . . .
H9B H 0.218795 -0.056086 0.522409 0.352 Uiso 1 1 calc R U . . .
C10 C 0.141(3) 0.050(3) 0.5580(15) 0.326(19) Uani 1 1 d D U . . .
H10A H 0.126361 0.010001 0.584888 0.391 Uiso 1 1 calc R U . . .
H10B H 0.168910 0.074901 0.576930 0.391 Uiso 1 1 calc R U . . .
O22 O 0.507(3) 0.303(3) -0.0201(13) 0.379(18) Uani 1 1 d D U . . .
C58 C 0.498(4) 0.229(3) 0.0089(18) 0.39(2) Uani 1 1 d D U . . .
H58A H 0.443202 0.244540 0.034146 0.463 Uiso 1 1 calc R U . . .
H58B H 0.542792 0.203202 0.031606 0.463 Uiso 1 1 calc R U . . .
O23 O 0.462(3) 0.2259(16) -0.0715(15) 0.37(3) Uani 1 1 d D . . . .
C23 C 0.2473(16) 0.114(3) 0.1675(15) 0.31(3) Uani 1 1 d D U . . .
H23A H 0.258909 0.101491 0.205830 0.377 Uiso 1 1 calc R U . . .
H23B H 0.261649 0.161591 0.152228 0.377 Uiso 1 1 calc R U . . .
C27 C 0.211(3) 0.068(4) -0.0620(16) 0.287(13) Uani 1 1 d . U . . .
C30 C -0.062(3) 0.119(4) 0.027(2) 0.335(18) Uani 1 1 d . U . . .
H30A H -0.045291 0.059501 0.028274 0.402 Uiso 1 1 calc R U . . .
H30B H -0.122295 0.145224 0.024354 0.402 Uiso 1 1 calc R U . . .
C57 C 0.503(3) 0.163(3) -0.0328(16) 0.30(2) Uani 1 1 d D . . . .
H57A H 0.561876 0.129046 -0.048449 0.357 Uiso 1 1 calc R U . . .
H57B H 0.471377 0.129236 -0.016576 0.357 Uiso 1 1 calc R U . . .
C60 C 0.437(4) 0.426(3) 0.0310(13) 0.41(2) Uani 1 1 d D U . . .
H60A H 0.389514 0.413073 0.052525 0.489 Uiso 1 1 calc R U . . .
H60B H 0.445643 0.466490 0.050712 0.489 Uiso 1 1 calc R U . . .
O21 O 0.422(3) 0.455(2) -0.0249(12) 0.42(2) Uani 1 1 d D U . . .
C61 C 0.348(3) 0.532(3) -0.0245(16) 0.41(2) Uani 1 1 d D U . . .
H61A H 0.296391 0.520015 -0.020322 0.487 Uiso 1 1 calc R U . . .
H61B H 0.342108 0.564576 0.007105 0.487 Uiso 1 1 calc R U . . .
C62 C 0.357(3) 0.579(2) -0.0768(13) 0.348(19) Uani 1 1 d D U . . .
H62A H 0.377721 0.621200 -0.072046 0.417 Uiso 1 1 calc R U . . .
H62B H 0.302736 0.604863 -0.090481 0.417 Uiso 1 1 calc R U . . .
C59 C 0.516(3) 0.350(2) 0.0220(19) 0.39(2) Uani 1 1 d D U . . .
H59A H 0.565540 0.364483 0.009114 0.473 Uiso 1 1 calc R U . . .
H59B H 0.523659 0.316935 0.056950 0.473 Uiso 1 1 calc R U . . .
O69 O 0.7732(16) -0.1212(16) 0.3669(9) 0.094(9) Uani 0.444(8) 1 d . . P A 2
O59 O 0.231(2) 0.2516(19) 0.3462(9) 0.093(9) Uani 0.444(8) 1 d . . P A 2
O51 O 0.3669(14) 0.8547(15) 0.3797(9) 0.200(8) Uani 1 1 d . . . . .
O30 O 0.323(3) 0.393(2) -0.106(2) 0.29(2) Uani 0.75 1 d . . P . .
O66 O 0.636(3) 0.205(2) 0.4352(9) 0.105(11) Uani 0.444(8) 1 d . . P A 2
C11 C 0.024(2) 0.162(3) 0.5925(16) 0.313(16) Uani 1 1 d D U . . .
H11A H 0.019681 0.217127 0.578779 0.375 Uiso 1 1 calc R U . . .
H11B H 0.053259 0.147382 0.624798 0.375 Uiso 1 1 calc R U . . .
C13 C -0.176(3) 0.191(4) 0.562(2) 0.292(16) Uani 1 1 d D U . . .
C42 C 0.334(5) 0.370(2) 0.7372(15) 0.41(3) Uani 1 1 d D U . . .
H42A H 0.377483 0.348333 0.761290 0.491 Uiso 1 1 calc R U . . .
H42B H 0.285974 0.354944 0.753964 0.491 Uiso 1 1 calc R U . . .
C43 C 0.430(2) 0.2554(17) 0.6781(14) 0.248(15) Uani 1 1 d D U . . .
H43A H 0.426231 0.225915 0.714354 0.297 Uiso 1 1 calc R U . . .
H43B H 0.488160 0.253895 0.666879 0.297 Uiso 1 1 calc R U . . .
O15 O 0.369(2) 0.3389(16) 0.6807(12) 0.294(14) Uani 1 1 d D U . . .
C17 C 0.0278(13) 0.2136(19) 0.1990(9) 0.228(12) Uani 1 1 d G U . . .
C18 C -0.0322(10) 0.2520(16) 0.2436(10) 0.228(18) Uani 1 1 d G U . . .
H18 H -0.089912 0.264110 0.243728 0.274 Uiso 1 1 calc R U . . .
C19 C -0.0076(14) 0.273(2) 0.2881(9) 0.290(19) Uani 1 1 d G U . . .
H19 H -0.048572 0.299124 0.318604 0.348 Uiso 1 1 calc R U . . .
C20 C 0.0769(15) 0.255(2) 0.2880(9) 0.294(18) Uani 1 1 d G U . . .
H20 H 0.093682 0.269396 0.318368 0.352 Uiso 1 1 calc R U . . .
C21 C 0.1368(11) 0.2167(19) 0.2434(11) 0.270(18) Uani 1 1 d G U . . .
H21 H 0.194598 0.204653 0.243257 0.324 Uiso 1 1 calc R U . . .
C22 C 0.1123(11) 0.196(2) 0.1989(10) 0.247(14) Uani 1 1 d G U . . .
W2A W 0.6408(3) -0.0832(3) 0.2225(2) 0.118(2) Uani 0.444(8) 1 d . . P A 2
W10A W 0.77841(4) 0.02154(6) 0.21748(4) 0.0986(3) Uani 1 1 d . . . . .
O41 O 0.1911(16) 0.233(2) 0.4756(18) 0.34(2) Uani 1 1 d . . . . .
O37 O 0.226(3) 0.480(2) 0.285(2) 0.46(3) Uani 1 1 d . U . . .
O64 O 1.0355(18) -0.4009(12) 0.270(2) 0.42(3) Uani 1 1 d . U . . .
W11A W 0.4183(7) 0.2770(9) 0.1914(5) 0.0810(19) Uani 0.444(8) 1 d . . P A 2
W7A W 0.5964(6) 0.1686(6) 0.3901(4) 0.0733(14) Uani 0.444(8) 1 d . . P A 2
O29 O 0.622(3) 0.338(3) -0.1024(19) 0.37(2) Uani 1 1 d . U . . .
O77 O 0.911(3) -0.277(5) 0.242(2) 0.68(7) Uani 1 1 d . U . . .
O88 O 0.846(5) -0.448(7) 0.227(4) 0.93(9) Uani 1 1 d . U . . .
F2 F 0.500000 0.000000 0.500000 0.092(3) Uani 1 2 d S . P A .
W9A W 0.5100(3) 0.0739(4) 0.1431(2) 0.100(2) Uani 0.444(8) 1 d . . P A 2
O27 O 0.060(3) 0.268(4) 0.052(2) 0.26(3) Uani 0.5 1 d . . P . .
O25 O 0.0094(18) 0.2302(19) 0.4395(15) 0.157(13) Uani 0.5 1 d . . P B 1


_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
W1 O38 1.862(11) . ?
W1 O73 1.898(11) . ?
W1 O40 1.937(12) . ?
W1 O45 1.630(11) . ?
W1 O71 1.929(14) . ?
W1 O76 2.467(15) . ?
W1 O52 2.395(17) . ?
W2 O67 1.896(17) . ?
W2 O55 1.847(12) . ?
W2 O62 1.871(14) . ?
W2 O1A 1.917(14) . ?
W2 O65 1.650(12) . ?
W2 O32 2.402(19) . ?
W3 O34 2.005(12) . ?
W3 O73 1.933(11) . ?
W3 O44 1.861(14) . ?
W3 O33 1.733(19) . ?
W3 O76 2.512(15) . ?
W3 O54 1.846(17) . ?
W3 O53 2.320(16) . ?
W3 O128 1.761(18) . ?
W3 O59 1.77(3) . ?
W4 O43 1.935(13) . ?
W4 O39 1.925(13) . ?
W4 O63 1.897(12) . ?
W4 O35 1.845(14) . ?
W4 O80 1.661(15) . ?
W4 O42 2.397(16) . ?
W4 O68 2.489(18) . ?
W5 O72 2.008(12) . ?
W5 O67 1.88(2) . ?
W5 O44 1.915(13) . ?
W5 O49 1.810(15) . ?
W5 O50 1.655(14) . ?
W5 O32 2.490(17) . ?
W5 O53 2.372(15) . ?
W5 O85 1.74(2) . ?
W6 O78 2.004(12) . ?
W6 O55 1.937(12) . ?
W6 O60 1.876(15) . ?
W6 O31 1.699(16) . ?
W6 O57 1.673(19) . ?
W6 O46 2.417(13) . ?
W6 O82 2.486(15) . ?
W6 O69 1.71(2) . ?
W7 O38 2.052(13) . ?
W7 O56 2.058(12) . ?
W7 O60 1.818(17) . ?
W7 O47 1.69(2) . ?
W7 O36 1.91(2) . ?
W7 O46 2.455(18) . ?
W8 O56 1.786(13) . ?
W8 O35 1.922(16) . ?
W8 O75 1.964(18) . ?
W8 O71 1.849(15) . ?
W8 O74 1.683(12) . ?
W8 O42 2.439(18) . ?
W9 O72 1.820(13) . ?
W9 O63 1.885(14) . ?
W9 O48 1.656(10) . ?
W9 O1A 1.891(14) . ?
W9 O61 1.888(15) . ?
W9 O32 2.515(15) . ?
W11 O34 1.977(16) . ?
W11 O39 1.761(17) . ?
W11 O81 1.717(14) . ?
W11 O40 1.870(16) . ?
W11 O61 1.896(18) . ?
Dy18 O58 2.354(11) . ?
Dy18 O31 2.311(18) . ?
Dy18 O70 2.379(10) . ?
Dy18 O49 2.189(13) . ?
Dy18 O36 2.139(17) . ?
Dy18 O54 2.129(17) . ?
Dy18 O84 2.57(3) . ?
Dy18 O85 2.48(2) . ?
Dy18 O128 2.492(15) . ?
Dy18 F2 2.1839(9) . ?
P O46 1.517(13) . ?
P O32 1.571(14) . ?
P O42 1.636(15) . ?
P O76 1.469(14) . ?
P O68 1.547(13) . ?
P O82 1.468(15) . ?
P O52 1.565(17) . ?
P O53 1.654(15) . ?
O72 W9A 1.787(14) . ?
O43 W10A 1.878(14) . ?
O34 W11A 1.654(19) . ?
O39 W11A 2.096(18) . ?
O78 W10A 1.794(13) . ?
O67 W2A 1.850(17) . ?
Na3 O18 2.49(2) . ?
Na3 O16 2.58(2) . ?
Na3 O13 2.53(2) . ?
Na3 O17 2.66(2) . ?
Na3 O14 2.57(3) . ?
Na3 O28 2.25(4) . ?
Na3 O15 2.59(3) . ?
O38 W7A 1.746(14) . ?
O55 W2A 1.886(12) . ?
O62 W2A 1.897(14) . ?
O62 W10A 1.914(13) . ?
O81 W11A 1.697(17) . ?
O40 W11A 1.908(18) . ?
O63 W9A 1.916(14) . ?
O48 W9A 1.663(11) . ?
O56 W7A 2.010(14) . ?
O60 W7A 2.077(18) . ?
O18 C33 1.468(15) . ?
O18 C48 1.484(17) . ?
O1A W2A 1.863(14) . ?
O1A W9A 1.940(15) . ?
C33 C38 1.3900 . ?
C33 C34 1.3900 . ?
C38 C37 1.3900 . ?
C38 O13 1.454(17) . ?
C37 H37 0.9500 . ?
C37 C36 1.3900 . ?
C36 H36 0.9500 . ?
C36 C35 1.3900 . ?
C35 H35 0.9500 . ?
C35 C34 1.3900 . ?
C34 H34 0.9500 . ?
O65 W2A 1.690(13) . ?
O24 C55 1.485(17) . ?
O24 C54 1.423(16) . ?
O24 Na1 2.47(2) . ?
O61 W11A 1.91(2) . ?
O61 W9A 1.840(16) . ?
O12 Na2 2.67(3) . ?
O12 C23 1.35(3) . ?
O12 C22 1.43(3) . ?
O16 C45 1.449(17) . ?
O16 C44 1.438(17) . ?
O5 Na5 2.83(3) . ?
O5 C8 1.24(3) . ?
O5 C9 1.41(3) . ?
O13 C39 1.464(17) . ?
O75 W10A 1.817(18) . ?
O19 C64 1.451(17) . ?
O19 C49 1.411(16) . ?
O19 Na1 2.539(19) . ?
O6 C6 1.26(2) . ?
O6 Na5 2.69(3) . ?
O6 C7 1.60(3) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C63 C64 1.46(4) . ?
C63 O20 1.463(17) . ?
O83 C1 1.28(3) . ?
O83 Na5 2.67(3) . ?
O83 C16 1.39(3) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C31 C32 1.52(2) . ?
C31 O8 1.503(19) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C45 C46 1.54(4) . ?
C6 C5 1.3900 . ?
C6 C1 1.3900 . ?
C5 H5 0.9500 . ?
C5 C4 1.3900 . ?
C4 H4 0.9500 . ?
C4 C3 1.3900 . ?
C3 H3 0.9500 . ?
C3 C2 1.3900 . ?
C2 H2 0.9500 . ?
C2 C1 1.3900 . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C48 C47 1.471(19) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C56 C55 1.54(4) . ?
C56 O23 1.44(4) . ?
O7 C32 1.467(17) . ?
O7 Na2 2.64(3) . ?
O7 C17 1.44(3) . ?
O79 W10A 1.718(11) . ?
O20 Na1 2.49(2) . ?
O20 C62 1.475(19) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C39 C40 1.55(2) . ?
Na5 O3 2.518(19) . ?
Na5 O2 2.47(3) . ?
Na5 O86 2.62(4) . ?
Na5 O25 2.05(4) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C15 1.60(4) . ?
O17 C46 1.476(17) . ?
O17 C47 1.482(18) . ?
O3 C12 1.483(19) . ?
O3 C13 1.41(5) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 O2 1.43(4) . ?
C14 C13 1.47(6) . ?
C52 H52 0.9500 . ?
C52 C53 1.3900 . ?
C52 C51 1.3900 . ?
C53 H53 0.9500 . ?
C53 C54 1.3900 . ?
C54 C49 1.3900 . ?
C49 C50 1.3900 . ?
C50 H50 0.9500 . ?
C50 C51 1.3900 . ?
C51 H51 0.9500 . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C44 C43 1.492(19) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 O10 1.475(19) . ?
C26 C65 1.55(7) . ?
O14 C40 1.430(19) . ?
O14 C41 1.50(2) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C41 C42 1.55(2) . ?
O42 W10A 2.463(15) . ?
O11 C24 1.465(19) . ?
O11 C65 1.462(19) . ?
O11 Na2 2.63(3) . ?
O9 Na2 2.57(4) . ?
O9 C29 1.484(19) . ?
O9 C28 1.448(19) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
O10 Na2 2.59(3) . ?
O10 C27 1.20(4) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C23 1.542(19) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C7 1.5499(10) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
O2 C15 1.462(19) . ?
Na1 O22 2.38(3) . ?
Na1 O23 2.59(3) . ?
Na1 O21 2.50(4) . ?
Na1 O30 2.40(5) . ?
Na1 O29 2.56(4) . ?
Na2 O26 2.37(4) . ?
Na2 O8 2.83(3) . ?
Na2 O27 2.26(6) . ?
O68 W9A 2.501(17) . ?
O82 W2A 2.468(17) . ?
O52 W7A 2.356(19) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 C30 1.51(7) . ?
O84 W7A 1.68(3) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28 C27 1.39(4) . ?
O8 C30 1.53(4) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
O86 C10 1.26(4) . ?
O86 C11 1.424(18) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C11 1.487(19) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C10 1.46(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
O22 C58 1.49(2) . ?
O22 C59 1.471(19) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C58 C57 1.60(6) . ?
O23 C57 1.444(19) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C60 O21 1.456(19) . ?
C60 C59 1.51(2) . ?
O21 C61 1.480(19) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C61 C62 1.47(2) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
O66 W7A 1.73(4) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C42 O15 1.484(19) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C43 O15 1.456(19) . ?
C17 C18 1.3900 . ?
C17 C22 1.3900 . ?
C18 H18 0.9500 . ?
C18 C19 1.3900 . ?
C19 H19 0.9500 . ?
C19 C20 1.3900 . ?
C20 H20 0.9500 . ?
C20 C21 1.3900 . ?
C21 H21 0.9500 . ?
C21 C22 1.3900 . ?

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
O38 W1 O73 87.9(5) . . ?
O38 W1 O40 155.5(6) . . ?
O38 W1 O71 88.1(5) . . ?
O38 W1 O76 91.5(6) . . ?
O38 W1 O52 62.2(6) . . ?
O73 W1 O40 90.8(5) . . ?
O73 W1 O71 155.1(7) . . ?
O73 W1 O76 64.6(5) . . ?
O73 W1 O52 92.2(6) . . ?
O40 W1 O76 66.0(5) . . ?
O40 W1 O52 93.5(6) . . ?
O45 W1 O38 102.9(7) . . ?
O45 W1 O73 99.3(6) . . ?
O45 W1 O40 101.4(6) . . ?
O45 W1 O71 105.5(7) . . ?
O45 W1 O76 158.2(6) . . ?
O45 W1 O52 161.0(7) . . ?
O71 W1 O40 82.8(6) . . ?
O71 W1 O76 91.0(7) . . ?
O71 W1 O52 64.4(7) . . ?
O67 W2 O1A 85.3(5) . . ?
O67 W2 O32 60.4(7) . . ?
O55 W2 O67 89.1(5) . . ?
O55 W2 O62 88.4(5) . . ?
O55 W2 O1A 157.1(7) . . ?
O55 W2 O32 92.9(6) . . ?
O62 W2 O67 153.3(8) . . ?
O62 W2 O1A 86.7(6) . . ?
O62 W2 O32 93.1(6) . . ?
O1A W2 O32 65.2(6) . . ?
O65 W2 O67 102.5(8) . . ?
O65 W2 O55 103.7(7) . . ?
O65 W2 O62 104.0(7) . . ?
O65 W2 O1A 99.1(7) . . ?
O65 W2 O32 156.3(7) . . ?
O34 W3 O76 63.3(5) . . ?
O34 W3 O53 90.4(6) . . ?
O73 W3 O34 87.0(5) . . ?
O73 W3 O76 63.2(5) . . ?
O73 W3 O53 95.2(5) . . ?
O44 W3 O34 81.8(5) . . ?
O44 W3 O73 154.7(6) . . ?
O44 W3 O76 91.5(6) . . ?
O44 W3 O53 62.4(5) . . ?
O33 W3 O34 85.7(8) . . ?
O33 W3 O73 95.5(9) . . ?
O33 W3 O44 106.1(9) . . ?
O33 W3 O76 141.9(7) . . ?
O33 W3 O54 124.7(9) . . ?
O54 W3 O34 148.8(7) . . ?
O54 W3 O73 83.2(6) . . ?
O54 W3 O44 94.7(6) . . ?
O54 W3 O76 85.9(7) . . ?
O128 W3 O34 171.4(7) . . ?
O128 W3 O73 95.9(7) . . ?
O128 W3 O44 92.3(7) . . ?
O128 W3 O53 81.3(7) . . ?
O128 W3 O59 80.9(10) . . ?
O59 W3 O34 106.2(9) . . ?
O59 W3 O73 104.9(9) . . ?
O59 W3 O44 100.0(10) . . ?
O59 W3 O53 154.3(10) . . ?
O43 W4 O42 63.1(6) . . ?
O43 W4 O68 92.1(7) . . ?
O39 W4 O43 156.0(7) . . ?
O39 W4 O42 94.0(6) . . ?
O39 W4 O68 64.6(6) . . ?
O63 W4 O43 85.5(5) . . ?
O63 W4 O39 88.5(5) . . ?
O63 W4 O42 92.5(6) . . ?
O63 W4 O68 63.0(6) . . ?
O35 W4 O43 89.4(6) . . ?
O35 W4 O39 85.5(6) . . ?
O35 W4 O63 153.1(8) . . ?
O35 W4 O42 61.8(7) . . ?
O35 W4 O68 90.9(7) . . ?
O80 W4 O43 104.9(9) . . ?
O80 W4 O39 99.1(9) . . ?
O80 W4 O63 103.4(7) . . ?
O80 W4 O35 103.5(8) . . ?
O80 W4 O42 159.5(8) . . ?
O80 W4 O68 157.6(8) . . ?
O72 W5 O32 61.2(6) . . ?
O72 W5 O53 90.0(7) . . ?
O67 W5 O72 82.7(5) . . ?
O67 W5 O44 150.9(6) . . ?
O67 W5 O32 58.7(6) . . ?
O67 W5 O53 94.1(6) . . ?
O44 W5 O72 83.0(5) . . ?
O44 W5 O32 92.2(6) . . ?
O44 W5 O53 60.7(6) . . ?
O49 W5 O72 147.5(8) . . ?
O49 W5 O67 82.5(7) . . ?
O49 W5 O44 96.5(6) . . ?
O49 W5 O32 86.5(7) . . ?
O50 W5 O72 97.9(8) . . ?
O50 W5 O67 103.8(7) . . ?
O50 W5 O44 103.2(6) . . ?
O50 W5 O49 113.7(8) . . ?
O50 W5 O32 152.5(7) . . ?
O50 W5 O53 161.2(6) . . ?
O50 W5 O85 90.8(9) . . ?
O85 W5 O72 169.7(9) . . ?
O85 W5 O67 100.7(7) . . ?
O85 W5 O44 89.6(8) . . ?
O85 W5 O53 80.1(8) . . ?
O78 W6 O46 87.7(6) . . ?
O78 W6 O82 61.9(6) . . ?
O55 W6 O78 83.1(5) . . ?
O55 W6 O46 92.7(6) . . ?
O55 W6 O82 62.4(6) . . ?
O60 W6 O78 82.3(5) . . ?
O60 W6 O55 153.6(6) . . ?
O60 W6 O46 64.9(6) . . ?
O60 W6 O82 91.4(6) . . ?
O31 W6 O78 159.8(8) . . ?
O31 W6 O55 90.7(6) . . ?
O31 W6 O60 95.5(6) . . ?
O31 W6 O46 73.3(7) . . ?
O31 W6 O82 98.2(8) . . ?
O31 W6 O69 114.3(11) . . ?
O57 W6 O78 111.2(11) . . ?
O57 W6 O55 109.5(8) . . ?
O57 W6 O60 96.2(8) . . ?
O57 W6 O31 89.0(12) . . ?
O57 W6 O46 151.9(9) . . ?
O69 W6 O78 85.5(10) . . ?
O69 W6 O55 94.7(10) . . ?
O69 W6 O60 105.8(11) . . ?
O69 W6 O82 140.9(8) . . ?
O38 W7 O56 80.2(5) . . ?
O38 W7 O46 89.7(6) . . ?
O56 W7 O46 87.1(7) . . ?
O60 W7 O38 150.8(7) . . ?
O60 W7 O56 84.5(6) . . ?
O60 W7 O36 101.2(8) . . ?
O60 W7 O46 64.7(6) . . ?
O47 W7 O38 101.3(10) . . ?
O47 W7 O56 108.6(13) . . ?
O47 W7 O60 107.1(10) . . ?
O47 W7 O36 102.6(13) . . ?
O47 W7 O46 162.0(11) . . ?
O36 W7 O38 78.8(8) . . ?
O36 W7 O56 145.1(9) . . ?
O36 W7 O46 65.4(8) . . ?
O56 W8 O35 152.7(7) . . ?
O56 W8 O75 88.8(8) . . ?
O56 W8 O71 91.0(6) . . ?
O56 W8 O42 93.4(6) . . ?
O35 W8 O75 85.0(6) . . ?
O35 W8 O42 60.1(6) . . ?
O75 W8 O42 63.5(6) . . ?
O71 W8 O35 83.9(6) . . ?
O71 W8 O75 155.0(7) . . ?
O71 W8 O42 91.6(7) . . ?
O74 W8 O56 102.3(6) . . ?
O74 W8 O35 105.0(6) . . ?
O74 W8 O75 100.8(7) . . ?
O74 W8 O71 103.6(7) . . ?
O74 W8 O42 157.8(5) . . ?
O72 W9 O63 152.9(7) . . ?
O72 W9 O1A 88.5(6) . . ?
O72 W9 O61 90.2(7) . . ?
O72 W9 O32 62.5(6) . . ?
O63 W9 O1A 86.6(6) . . ?
O63 W9 O61 83.5(6) . . ?
O63 W9 O32 91.8(6) . . ?
O48 W9 O72 103.0(7) . . ?
O48 W9 O63 104.1(6) . . ?
O48 W9 O1A 100.9(7) . . ?
O48 W9 O61 103.2(7) . . ?
O48 W9 O32 157.0(6) . . ?
O1A W9 O32 62.9(6) . . ?
O61 W9 O1A 155.6(7) . . ?
O61 W9 O32 95.0(7) . . ?
O39 W11 O34 157.0(9) . . ?
O39 W11 O40 88.8(7) . . ?
O39 W11 O61 88.6(7) . . ?
O81 W11 O34 96.4(7) . . ?
O81 W11 O39 106.6(8) . . ?
O81 W11 O40 101.1(8) . . ?
O81 W11 O61 102.3(8) . . ?
O40 W11 O34 88.1(7) . . ?
O40 W11 O61 156.2(9) . . ?
O61 W11 O34 85.2(8) . . ?
O58 Dy18 O70 81.0(5) . . ?
O58 Dy18 O84 94.6(6) . . ?
O58 Dy18 O85 111.8(6) . . ?
O58 Dy18 O128 68.3(5) . . ?
O31 Dy18 O58 152.8(6) . . ?
O31 Dy18 O70 93.2(4) . . ?
O31 Dy18 O84 75.0(6) . . ?
O31 Dy18 O85 90.2(7) . . ?
O31 Dy18 O128 136.7(6) . . ?
O70 Dy18 O84 145.1(6) . . ?
O70 Dy18 O85 68.5(5) . . ?
O70 Dy18 O128 114.2(5) . . ?
O49 Dy18 O58 130.1(6) . . ?
O49 Dy18 O31 73.7(7) . . ?
O49 Dy18 O70 79.0(5) . . ?
O36 Dy18 O58 94.7(6) . . ?
O36 Dy18 O31 82.3(6) . . ?
O36 Dy18 O70 161.4(7) . . ?
O36 Dy18 O49 116.5(8) . . ?
O36 Dy18 F2 88.2(7) . . ?
O54 Dy18 O58 80.6(6) . . ?
O54 Dy18 O31 121.6(6) . . ?
O54 Dy18 O70 130.1(5) . . ?
O54 Dy18 O49 78.4(6) . . ?
O54 Dy18 O36 66.1(8) . . ?
O54 Dy18 F2 140.8(5) . . ?
O85 Dy18 O84 142.3(7) . . ?
O85 Dy18 O128 71.5(6) . . ?
O128 Dy18 O84 95.7(7) . . ?
F2 Dy18 O58 72.2(3) . . ?
F2 Dy18 O31 80.7(5) . . ?
F2 Dy18 O70 73.3(3) . . ?
F2 Dy18 O49 140.8(5) . . ?
F2 Dy18 O84 72.4(6) . . ?
F2 Dy18 O85 140.0(4) . . ?
F2 Dy18 O128 137.6(4) . . ?
O46 P O32 109.1(8) . . ?
O46 P O42 108.2(9) . . ?
O32 P O42 108.1(10) . . ?
O76 P O46 110.5(9) . . ?
O76 P O32 112.9(9) . . ?
O76 P O42 107.9(9) . . ?
O68 P O52 109.1(10) . . ?
O68 P O53 106.0(9) . . ?
O82 P O68 111.4(9) . . ?
O82 P O52 111.5(9) . . ?
O82 P O53 110.1(9) . . ?
O52 P O53 108.4(9) . . ?
W9 O72 W5 142.8(8) . . ?
W9A O72 W5 143.6(9) . . ?
W10A O43 W4 138.9(9) . . ?
W11 O34 W3 139.4(7) . . ?
W11A O34 W3 142.1(8) . . ?
W4 O39 W11A 136.7(9) . . ?
W11 O39 W4 137.9(9) . . ?
W10A O78 W6 144.3(7) . . ?
W5 O67 W2 145.6(10) . . ?
W2A O67 W5 144.2(10) . . ?
O18 Na3 O16 114.0(8) . . ?
O18 Na3 O13 58.9(6) . . ?
O18 Na3 O17 64.1(6) . . ?
O18 Na3 O14 118.9(9) . . ?
O18 Na3 O15 166.7(12) . . ?
O16 Na3 O17 65.1(7) . . ?
O16 Na3 O15 60.4(8) . . ?
O13 Na3 O16 142.5(11) . . ?
O13 Na3 O17 123.0(8) . . ?
O13 Na3 O14 60.1(9) . . ?
O13 Na3 O15 117.0(9) . . ?
O14 Na3 O16 115.9(10) . . ?
O14 Na3 O17 174.2(13) . . ?
O14 Na3 O15 59.7(9) . . ?
O28 Na3 O18 85.9(16) . . ?
O28 Na3 O16 126.4(15) . . ?
O28 Na3 O13 90.9(15) . . ?
O28 Na3 O17 83.8(11) . . ?
O28 Na3 O14 91.4(13) . . ?
O28 Na3 O15 107.1(17) . . ?
O15 Na3 O17 118.7(8) . . ?
W1 O38 W7 142.6(9) . . ?
W7A O38 W1 141.6(10) . . ?
W2 O55 W6 141.9(9) . . ?
W2A O55 W6 140.8(9) . . ?
W2 O62 W10A 139.8(7) . . ?
W2A O62 W10A 139.2(7) . . ?
W1 O73 W3 139.1(7) . . ?
W11 O40 W1 139.5(7) . . ?
W11A O40 W1 134.6(7) . . ?
W3 O44 W5 136.7(7) . . ?
W4 O63 W9A 141.1(8) . . ?
W9 O63 W4 142.1(8) . . ?
W8 O56 W7 145.0(8) . . ?
W8 O56 W7A 138.7(8) . . ?
W6 O60 W7A 133.4(9) . . ?
W7 O60 W6 136.4(9) . . ?
W6 O31 Dy18 145.7(8) . . ?
C33 O18 Na3 120.3(13) . . ?
C33 O18 C48 108.7(19) . . ?
C48 O18 Na3 118.8(16) . . ?
W9 O1A W2 138.7(8) . . ?
W2A O1A W9A 136.5(8) . . ?
W4 O35 W8 142.0(10) . . ?
C38 C33 O18 112.4(14) . . ?
C38 C33 C34 120.0 . . ?
C34 C33 O18 127.3(14) . . ?
C33 C38 O13 110.9(14) . . ?
C37 C38 C33 120.0 . . ?
C37 C38 O13 128.4(14) . . ?
C38 C37 H37 120.0 . . ?
C38 C37 C36 120.0 . . ?
C36 C37 H37 120.0 . . ?
C37 C36 H36 120.0 . . ?
C35 C36 C37 120.0 . . ?
C35 C36 H36 120.0 . . ?
C36 C35 H35 120.0 . . ?
C36 C35 C34 120.0 . . ?
C34 C35 H35 120.0 . . ?
C33 C34 H34 120.0 . . ?
C35 C34 C33 120.0 . . ?
C35 C34 H34 120.0 . . ?
W5 O49 Dy18 151.3(9) . . ?
C55 O24 Na1 118.6(18) . . ?
C54 O24 C55 108(2) . . ?
C54 O24 Na1 114.2(14) . . ?
W9 O61 W11 141.1(9) . . ?
W9A O61 W11A 144.5(10) . . ?
C23 O12 Na2 119(2) . . ?
C23 O12 C22 110(2) . . ?
C22 O12 Na2 113.6(16) . . ?
C45 O16 Na3 117.0(17) . . ?
C44 O16 Na3 119.4(17) . . ?
C44 O16 C45 97.5(19) . . ?
C8 O5 Na5 105(2) . . ?
C8 O5 C9 118(2) . . ?
C9 O5 Na5 120.6(19) . . ?
C38 O13 Na3 119.2(13) . . ?
C38 O13 C39 108(2) . . ?
C39 O13 Na3 121.4(16) . . ?
W10A O75 W8 139.3(9) . . ?
C64 O19 Na1 114.0(16) . . ?
C49 O19 C64 122(2) . . ?
C49 O19 Na1 112.7(14) . . ?
C6 O6 Na5 122.3(15) . . ?
C6 O6 C7 104(2) . . ?
C7 O6 Na5 120.0(13) . . ?
H63A C63 H63B 108.7 . . ?
C64 C63 H63A 110.6 . . ?
C64 C63 H63B 110.6 . . ?
C64 C63 O20 106(3) . . ?
O20 C63 H63A 110.6 . . ?
O20 C63 H63B 110.6 . . ?
C1 O83 Na5 119.4(15) . . ?
C1 O83 C16 117(3) . . ?
C16 O83 Na5 120.9(19) . . ?
O19 C64 C63 109(3) . . ?
O19 C64 H64A 109.8 . . ?
O19 C64 H64B 109.8 . . ?
C63 C64 H64A 109.8 . . ?
C63 C64 H64B 109.8 . . ?
H64A C64 H64B 108.3 . . ?
H31A C31 H31B 110.7 . . ?
C32 C31 H31A 113.4 . . ?
C32 C31 H31B 113.4 . . ?
O8 C31 H31A 113.4 . . ?
O8 C31 H31B 113.4 . . ?
O8 C31 C32 91(3) . . ?
O16 C45 H45A 112.4 . . ?
O16 C45 H45B 112.4 . . ?
O16 C45 C46 97(2) . . ?
H45A C45 H45B 109.9 . . ?
C46 C45 H45A 112.4 . . ?
C46 C45 H45B 112.4 . . ?
O6 C6 C5 127.0(19) . . ?
O6 C6 C1 112.9(19) . . ?
C5 C6 C1 120.0 . . ?
C6 C5 H5 120.0 . . ?
C6 C5 C4 120.0 . . ?
C4 C5 H5 120.0 . . ?
C5 C4 H4 120.0 . . ?
C3 C4 C5 120.0 . . ?
C3 C4 H4 120.0 . . ?
C4 C3 H3 120.0 . . ?
C4 C3 C2 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C2 H2 120.0 . . ?
C1 C2 C3 120.0 . . ?
C1 C2 H2 120.0 . . ?
O83 C1 C6 119.4(18) . . ?
O83 C1 C2 120.5(18) . . ?
C2 C1 C6 120.0 . . ?
O18 C48 H48A 110.1 . . ?
O18 C48 H48B 110.1 . . ?
H48A C48 H48B 108.5 . . ?
C47 C48 O18 108(2) . . ?
C47 C48 H48A 110.1 . . ?
C47 C48 H48B 110.1 . . ?
H56A C56 H56B 107.1 . . ?
C55 C56 H56A 107.6 . . ?
C55 C56 H56B 107.6 . . ?
O23 C56 H56A 107.6 . . ?
O23 C56 H56B 107.6 . . ?
O23 C56 C55 119(4) . . ?
C32 O7 Na2 123.7(17) . . ?
C17 O7 C32 120(2) . . ?
C17 O7 Na2 115.6(15) . . ?
C63 O20 Na1 118.7(17) . . ?
C63 O20 C62 107(2) . . ?
C62 O20 Na1 129(2) . . ?
O24 C55 C56 105(3) . . ?
O24 C55 H55A 110.8 . . ?
O24 C55 H55B 110.8 . . ?
C56 C55 H55A 110.8 . . ?
C56 C55 H55B 110.8 . . ?
H55A C55 H55B 108.9 . . ?
O13 C39 H39A 111.8 . . ?
O13 C39 H39B 111.8 . . ?
O13 C39 C40 100(2) . . ?
H39A C39 H39B 109.5 . . ?
C40 C39 H39A 111.8 . . ?
C40 C39 H39B 111.8 . . ?
W8 O71 W1 139.9(8) . . ?
O6 Na5 O5 59.8(8) . . ?
O83 Na5 O5 112.4(10) . . ?
O83 Na5 O6 55.8(7) . . ?
O3 Na5 O5 117.5(11) . . ?
O3 Na5 O6 171.7(14) . . ?
O3 Na5 O83 129.0(10) . . ?
O3 Na5 O86 60.6(10) . . ?
O2 Na5 O5 163.0(14) . . ?
O2 Na5 O6 119.7(10) . . ?
O2 Na5 O83 63.9(9) . . ?
O2 Na5 O3 65.4(10) . . ?
O2 Na5 O86 125.2(12) . . ?
O86 Na5 O5 57.5(10) . . ?
O86 Na5 O6 115.0(10) . . ?
O86 Na5 O83 169.9(12) . . ?
O25 Na5 O5 98.4(11) . . ?
O25 Na5 O6 80.9(13) . . ?
O25 Na5 O83 90.1(15) . . ?
O25 Na5 O3 92.0(16) . . ?
O25 Na5 O2 98.2(14) . . ?
O25 Na5 O86 92.6(17) . . ?
O83 C16 H16A 111.0 . . ?
O83 C16 H16B 111.0 . . ?
O83 C16 C15 104(2) . . ?
H16A C16 H16B 109.0 . . ?
C15 C16 H16A 111.0 . . ?
C15 C16 H16B 111.0 . . ?
C46 O17 Na3 102(2) . . ?
C46 O17 C47 126(3) . . ?
C47 O17 Na3 110.4(17) . . ?
C12 O3 Na5 127(2) . . ?
C13 O3 Na5 115(3) . . ?
C13 O3 C12 111(3) . . ?
C31 C32 H32A 112.2 . . ?
C31 C32 H32B 112.2 . . ?
O7 C32 C31 98(3) . . ?
O7 C32 H32A 112.2 . . ?
O7 C32 H32B 112.2 . . ?
H32A C32 H32B 109.8 . . ?
H14A C14 H14B 108.6 . . ?
O2 C14 H14A 110.4 . . ?
O2 C14 H14B 110.4 . . ?
O2 C14 C13 106(4) . . ?
C13 C14 H14A 110.4 . . ?
C13 C14 H14B 110.4 . . ?
C53 C52 H52 120.0 . . ?
C53 C52 C51 120.0 . . ?
C51 C52 H52 120.0 . . ?
C52 C53 H53 120.0 . . ?
C54 C53 C52 120.0 . . ?
C54 C53 H53 120.0 . . ?
C53 C54 O24 127.2(17) . . ?
C53 C54 C49 120.0 . . ?
C49 C54 O24 112.1(18) . . ?
C54 C49 O19 118.3(18) . . ?
C50 C49 O19 121.7(18) . . ?
C50 C49 C54 120.0 . . ?
C49 C50 H50 120.0 . . ?
C49 C50 C51 120.0 . . ?
C51 C50 H50 120.0 . . ?
C52 C51 H51 120.0 . . ?
C50 C51 C52 120.0 . . ?
C50 C51 H51 120.0 . . ?
C45 C46 H46A 110.1 . . ?
C45 C46 H46B 110.1 . . ?
O17 C46 C45 108(2) . . ?
O17 C46 H46A 110.1 . . ?
O17 C46 H46B 110.1 . . ?
H46A C46 H46B 108.4 . . ?
O16 C44 H44A 110.3 . . ?
O16 C44 H44B 110.3 . . ?
O16 C44 C43 107(2) . . ?
H44A C44 H44B 108.5 . . ?
C43 C44 H44A 110.3 . . ?
C43 C44 H44B 110.3 . . ?
H26A C26 H26B 109.8 . . ?
O10 C26 H26A 112.2 . . ?
O10 C26 H26B 112.2 . . ?
O10 C26 C65 98(3) . . ?
C65 C26 H26A 112.2 . . ?
C65 C26 H26B 112.2 . . ?
W7 O36 Dy18 143.7(11) . . ?
C40 O14 Na3 113(2) . . ?
C40 O14 C41 107(3) . . ?
C41 O14 Na3 113(3) . . ?
C39 C40 H40A 112.1 . . ?
C39 C40 H40B 112.1 . . ?
O14 C40 C39 98(3) . . ?
O14 C40 H40A 112.1 . . ?
O14 C40 H40B 112.1 . . ?
H40A C40 H40B 109.7 . . ?
O14 C41 H41A 109.0 . . ?
O14 C41 H41B 109.0 . . ?
O14 C41 C42 113(4) . . ?
H41A C41 H41B 107.8 . . ?
C42 C41 H41A 109.0 . . ?
C42 C41 H41B 109.0 . . ?
W6 O46 W7 89.5(5) . . ?
P O46 W6 128.0(9) . . ?
P O46 W7 128.6(9) . . ?
W2 O32 W5 95.1(5) . . ?
W2 O32 W9 92.8(5) . . ?
W5 O32 W9 92.9(5) . . ?
P O32 W2 125.3(10) . . ?
P O32 W5 121.1(9) . . ?
P O32 W9 121.5(8) . . ?
W4 O42 W8 94.9(5) . . ?
W4 O42 W10A 94.6(5) . . ?
W8 O42 W10A 92.6(5) . . ?
P O42 W4 125.1(8) . . ?
P O42 W8 121.6(9) . . ?
P O42 W10A 120.2(8) . . ?
C24 O11 Na2 111(2) . . ?
C65 O11 C24 112(4) . . ?
C65 O11 Na2 108.5(19) . . ?
C29 O9 Na2 114(2) . . ?
C28 O9 Na2 125(3) . . ?
C28 O9 C29 110(3) . . ?
C48 C47 O17 104(3) . . ?
C48 C47 H47A 110.9 . . ?
C48 C47 H47B 110.9 . . ?
O17 C47 H47A 110.9 . . ?
O17 C47 H47B 110.9 . . ?
H47A C47 H47B 108.9 . . ?
C26 O10 Na2 116(2) . . ?
C27 O10 C26 121(3) . . ?
C27 O10 Na2 123(3) . . ?
O11 C24 H24A 112.5 . . ?
O11 C24 H24B 112.5 . . ?
O11 C24 C23 96(2) . . ?
H24A C24 H24B 110.0 . . ?
C23 C24 H24A 112.5 . . ?
C23 C24 H24B 112.5 . . ?
C26 C65 H65A 110.0 . . ?
C26 C65 H65B 110.0 . . ?
O11 C65 C26 108(4) . . ?
O11 C65 H65A 110.0 . . ?
O11 C65 H65B 110.0 . . ?
H65A C65 H65B 108.4 . . ?
O5 C8 H8A 109.1 . . ?
O5 C8 H8B 109.1 . . ?
O5 C8 C7 113(2) . . ?
H8A C8 H8B 107.8 . . ?
C7 C8 H8A 109.1 . . ?
C7 C8 H8B 109.1 . . ?
O6 C7 H7A 111.9 . . ?
O6 C7 H7B 111.9 . . ?
C8 C7 O6 99(2) . . ?
C8 C7 H7A 111.9 . . ?
C8 C7 H7B 111.9 . . ?
H7A C7 H7B 109.6 . . ?
W1 O76 W3 92.3(5) . . ?
P O76 W1 126.4(8) . . ?
P O76 W3 124.0(8) . . ?
W3 O54 Dy18 154.7(9) . . ?
C14 O2 Na5 114(2) . . ?
C14 O2 C15 104(3) . . ?
C15 O2 Na5 112.4(19) . . ?
O24 Na1 O19 62.7(6) . . ?
O24 Na1 O20 125.7(7) . . ?
O24 Na1 O23 69.0(10) . . ?
O24 Na1 O21 177.3(10) . . ?
O24 Na1 O29 89.9(12) . . ?
O19 Na1 O23 131.6(10) . . ?
O19 Na1 O29 83.5(13) . . ?
O20 Na1 O19 64.7(6) . . ?
O20 Na1 O23 157.4(16) . . ?
O20 Na1 O21 56.9(10) . . ?
O20 Na1 O29 96.8(15) . . ?
O22 Na1 O24 115.1(12) . . ?
O22 Na1 O19 151.5(16) . . ?
O22 Na1 O20 117.3(12) . . ?
O22 Na1 O23 57.6(13) . . ?
O22 Na1 O21 62.4(12) . . ?
O22 Na1 O30 110.1(18) . . ?
O22 Na1 O29 68.0(17) . . ?
O21 Na1 O19 119.8(11) . . ?
O21 Na1 O23 108.5(14) . . ?
O21 Na1 O29 89.6(16) . . ?
O30 Na1 O24 91.9(12) . . ?
O30 Na1 O19 98.5(13) . . ?
O30 Na1 O20 83.2(13) . . ?
O30 Na1 O23 79.1(14) . . ?
O30 Na1 O21 88.5(17) . . ?
O30 Na1 O29 177.8(16) . . ?
O29 Na1 O23 100.4(16) . . ?
O12 Na2 O8 112.0(10) . . ?
O7 Na2 O12 58.5(7) . . ?
O7 Na2 O8 55.1(7) . . ?
O11 Na2 O12 58.3(8) . . ?
O11 Na2 O7 116.8(10) . . ?
O11 Na2 O8 163.1(15) . . ?
O9 Na2 O12 166.5(17) . . ?
O9 Na2 O7 120.0(10) . . ?
O9 Na2 O11 120.8(10) . . ?
O9 Na2 O10 57.9(9) . . ?
O9 Na2 O8 64.9(9) . . ?
O10 Na2 O12 122.9(9) . . ?
O10 Na2 O7 176.8(15) . . ?
O10 Na2 O11 64.6(9) . . ?
O10 Na2 O8 122.7(11) . . ?
O26 Na2 O12 87.0(13) . . ?
O26 Na2 O7 86.9(13) . . ?
O26 Na2 O11 88.5(13) . . ?
O26 Na2 O9 79.5(16) . . ?
O26 Na2 O10 90.2(15) . . ?
O26 Na2 O8 76.7(13) . . ?
O27 Na2 O12 100.3(19) . . ?
O27 Na2 O7 80.0(17) . . ?
O27 Na2 O11 112.6(16) . . ?
O27 Na2 O9 92(2) . . ?
O27 Na2 O10 102.3(19) . . ?
O27 Na2 O26 158.5(13) . . ?
O27 Na2 O8 81.8(13) . . ?
W4 O68 W9A 92.2(6) . . ?
P O68 W4 124.3(9) . . ?
P O68 W9A 123.2(10) . . ?
P O82 W6 126.3(9) . . ?
P O82 W2A 124.1(8) . . ?
W2A O82 W6 93.3(6) . . ?
P O52 W1 125.5(9) . . ?
P O52 W7A 125.3(11) . . ?
W7A O52 W1 91.6(6) . . ?
W3 O53 W5 96.8(5) . . ?
P O53 W3 125.6(9) . . ?
P O53 W5 123.6(8) . . ?
O9 C29 H29A 110.0 . . ?
O9 C29 H29B 110.0 . . ?
O9 C29 C30 108(4) . . ?
H29A C29 H29B 108.4 . . ?
C30 C29 H29A 110.0 . . ?
C30 C29 H29B 110.0 . . ?
W7A O84 Dy18 131.1(10) . . ?
W5 O85 Dy18 132.4(10) . . ?
W3 O128 Dy18 130.8(10) . . ?
O9 C28 H28A 111.3 . . ?
O9 C28 H28B 111.3 . . ?
H28A C28 H28B 109.2 . . ?
C27 C28 O9 102(3) . . ?
C27 C28 H28A 111.3 . . ?
C27 C28 H28B 111.3 . . ?
C31 O8 Na2 108(2) . . ?
C31 O8 C30 129(4) . . ?
C30 O8 Na2 110(2) . . ?
C16 C15 H15A 109.6 . . ?
C16 C15 H15B 109.6 . . ?
O2 C15 C16 110(3) . . ?
O2 C15 H15A 109.6 . . ?
O2 C15 H15B 109.6 . . ?
H15A C15 H15B 108.1 . . ?
C10 O86 Na5 126(2) . . ?
C10 O86 C11 119(3) . . ?
C11 O86 Na5 115(2) . . ?
O3 C12 H12A 112.0 . . ?
O3 C12 H12B 112.0 . . ?
O3 C12 C11 99(2) . . ?
H12A C12 H12B 109.6 . . ?
C11 C12 H12A 112.0 . . ?
C11 C12 H12B 112.0 . . ?
O5 C9 H9A 109.9 . . ?
O5 C9 H9B 109.9 . . ?
O5 C9 C10 109(3) . . ?
H9A C9 H9B 108.3 . . ?
C10 C9 H9A 109.9 . . ?
C10 C9 H9B 109.9 . . ?
O86 C10 C9 123(4) . . ?
O86 C10 H10A 106.5 . . ?
O86 C10 H10B 106.5 . . ?
C9 C10 H10A 106.5 . . ?
C9 C10 H10B 106.5 . . ?
H10A C10 H10B 106.5 . . ?
C58 O22 Na1 129(3) . . ?
C59 O22 Na1 121(3) . . ?
C59 O22 C58 107(2) . . ?
O22 C58 H58A 109.0 . . ?
O22 C58 H58B 109.0 . . ?
O22 C58 C57 113(3) . . ?
H58A C58 H58B 107.8 . . ?
C57 C58 H58A 109.0 . . ?
C57 C58 H58B 109.0 . . ?
C56 O23 Na1 109(2) . . ?
C56 O23 C57 102(3) . . ?
C57 O23 Na1 134(3) . . ?
O12 C23 C24 102(2) . . ?
O12 C23 H23A 111.3 . . ?
O12 C23 H23B 111.3 . . ?
C24 C23 H23A 111.3 . . ?
C24 C23 H23B 111.3 . . ?
H23A C23 H23B 109.2 . . ?
O10 C27 C28 125(4) . . ?
C29 C30 O8 110(4) . . ?
C29 C30 H30A 109.7 . . ?
C29 C30 H30B 109.7 . . ?
O8 C30 H30A 109.7 . . ?
O8 C30 H30B 109.7 . . ?
H30A C30 H30B 108.2 . . ?
C58 C57 H57A 113.2 . . ?
C58 C57 H57B 113.1 . . ?
O23 C57 C58 93(3) . . ?
O23 C57 H57A 113.1 . . ?
O23 C57 H57B 113.1 . . ?
H57A C57 H57B 110.5 . . ?
H60A C60 H60B 109.0 . . ?
O21 C60 H60A 111.1 . . ?
O21 C60 H60B 111.1 . . ?
O21 C60 C59 103(2) . . ?
C59 C60 H60A 111.1 . . ?
C59 C60 H60B 111.1 . . ?
C60 O21 Na1 124(3) . . ?
C60 O21 C61 111(2) . . ?
C61 O21 Na1 119(3) . . ?
O21 C61 H61A 109.9 . . ?
O21 C61 H61B 109.9 . . ?
H61A C61 H61B 108.3 . . ?
C62 C61 O21 109(3) . . ?
C62 C61 H61A 109.9 . . ?
C62 C61 H61B 109.9 . . ?
O20 C62 H62A 110.9 . . ?
O20 C62 H62B 110.9 . . ?
C61 C62 O20 104(3) . . ?
C61 C62 H62A 110.9 . . ?
C61 C62 H62B 110.9 . . ?
H62A C62 H62B 108.9 . . ?
O22 C59 C60 108(4) . . ?
O22 C59 H59A 110.2 . . ?
O22 C59 H59B 110.2 . . ?
C60 C59 H59A 110.2 . . ?
C60 C59 H59B 110.2 . . ?
H59A C59 H59B 108.5 . . ?
O86 C11 C12 112(2) . . ?
O86 C11 H11A 109.1 . . ?
O86 C11 H11B 109.1 . . ?
C12 C11 H11A 109.1 . . ?
C12 C11 H11B 109.1 . . ?
H11A C11 H11B 107.9 . . ?
O3 C13 C14 109(5) . . ?
C41 C42 H42A 110.7 . . ?
C41 C42 H42B 110.7 . . ?
H42A C42 H42B 108.8 . . ?
O15 C42 C41 105(3) . . ?
O15 C42 H42A 110.7 . . ?
O15 C42 H42B 110.7 . . ?
C44 C43 H43A 111.1 . . ?
C44 C43 H43B 111.1 . . ?
H43A C43 H43B 109.0 . . ?
O15 C43 C44 104(2) . . ?
O15 C43 H43A 111.1 . . ?
O15 C43 H43B 111.1 . . ?
C42 O15 Na3 123(2) . . ?
C43 O15 Na3 122.2(19) . . ?
C43 O15 C42 115(3) . . ?
C18 C17 O7 121.7(17) . . ?
C18 C17 C22 120.0 . . ?
C22 C17 O7 116.4(16) . . ?
C17 C18 H18 120.0 . . ?
C17 C18 C19 120.0 . . ?
C19 C18 H18 120.0 . . ?
C18 C19 H19 120.0 . . ?
C20 C19 C18 120.0 . . ?
C20 C19 H19 120.0 . . ?
C19 C20 H20 120.0 . . ?
C21 C20 C19 120.0 . . ?
C21 C20 H20 120.0 . . ?
C20 C21 H21 120.0 . . ?
C22 C21 C20 120.0 . . ?
C22 C21 H21 120.0 . . ?
C17 C22 O12 112.7(16) . . ?
C21 C22 O12 121.8(16) . . ?
C21 C22 C17 120.0 . . ?
O67 W2A O55 89.3(5) . . ?
O67 W2A O62 155.9(8) . . ?
O67 W2A O1A 88.2(6) . . ?
O67 W2A O82 90.6(7) . . ?
O55 W2A O62 86.5(6) . . ?
O55 W2A O82 63.3(6) . . ?
O62 W2A O82 66.3(6) . . ?
O1A W2A O55 159.5(7) . . ?
O1A W2A O62 87.5(7) . . ?
O1A W2A O82 96.4(7) . . ?
O65 W2A O67 102.8(8) . . ?
O65 W2A O55 100.5(7) . . ?
O65 W2A O62 101.3(7) . . ?
O65 W2A O1A 99.8(7) . . ?
O65 W2A O82 159.2(7) . . ?
O43 W10A O62 83.6(6) . . ?
O43 W10A O42 62.3(6) . . ?
O78 W10A O43 154.0(7) . . ?
O78 W10A O62 88.2(5) . . ?
O78 W10A O75 91.1(7) . . ?
O78 W10A O42 93.5(6) . . ?
O62 W10A O42 92.2(6) . . ?
O75 W10A O43 86.9(6) . . ?
O75 W10A O62 156.7(7) . . ?
O75 W10A O42 64.5(7) . . ?
O79 W10A O43 102.9(6) . . ?
O79 W10A O78 103.0(6) . . ?
O79 W10A O62 102.5(6) . . ?
O79 W10A O75 100.3(7) . . ?
O79 W10A O42 158.0(5) . . ?
O34 W11A O39 155.1(10) . . ?
O34 W11A O81 110.8(9) . . ?
O34 W11A O40 97.1(8) . . ?
O34 W11A O61 94.3(10) . . ?
O81 W11A O39 94.0(8) . . ?
O81 W11A O40 100.3(9) . . ?
O81 W11A O61 102.3(9) . . ?
O40 W11A O39 78.6(7) . . ?
O40 W11A O61 149.1(9) . . ?
O61 W11A O39 79.1(7) . . ?
O38 W7A O56 89.3(6) . . ?
O38 W7A O60 156.7(8) . . ?
O38 W7A O52 64.4(7) . . ?
O56 W7A O60 79.4(6) . . ?
O56 W7A O52 63.7(7) . . ?
O60 W7A O52 92.4(7) . . ?
O84 W7A O38 105.2(9) . . ?
O84 W7A O56 163.7(10) . . ?
O84 W7A O60 84.5(9) . . ?
O84 W7A O52 115.5(9) . . ?
O84 W7A O66 99.8(13) . . ?
O66 W7A O38 97.4(13) . . ?
O66 W7A O56 85.5(12) . . ?
O66 W7A O60 101.8(13) . . ?
O66 W7A O52 143.1(12) . . ?
Dy18 F2 Dy18 180.0 2_656 . ?
O72 W9A O63 153.1(7) . . ?
O72 W9A O1A 87.9(6) . . ?
O72 W9A O61 92.7(8) . . ?
O72 W9A O68 92.3(7) . . ?
O63 W9A O1A 84.4(6) . . ?
O63 W9A O68 62.5(6) . . ?
O48 W9A O72 104.1(7) . . ?
O48 W9A O63 102.5(6) . . ?
O48 W9A O1A 98.6(7) . . ?
O48 W9A O61 105.0(7) . . ?
O48 W9A O68 160.4(7) . . ?
O1A W9A O68 92.6(7) . . ?
O61 W9A O63 84.0(6) . . ?
O61 W9A O1A 155.4(8) . . ?
O61 W9A O68 62.8(6) . . ?

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
W1 O38 W7A O56 55.2(14) . . . . ?
W1 O38 W7A O60 -5(3) . . . . ?
W1 O38 W7A O52 -5.7(12) . . . . ?
W1 O38 W7A O84 -117.1(13) . . . . ?
W1 O38 W7A O66 140.6(15) . . . . ?
W3 O34 W11A O39 33(4) . . . . ?
W3 O34 W11A O81 -149.0(14) . . . . ?
W3 O34 W11A O40 -45.1(18) . . . . ?
W3 O34 W11A O61 106.2(16) . . . . ?
W4 O43 W10A O78 35(2) . . . . ?
W4 O43 W10A O62 107.4(12) . . . . ?
W4 O43 W10A O75 -51.2(13) . . . . ?
W4 O43 W10A O79 -151.1(12) . . . . ?
W4 O43 W10A O42 11.5(11) . . . . ?
W5 O72 W9A O63 -20(3) . . . . ?
W5 O72 W9A O48 151.5(15) . . . . ?
W5 O72 W9A O1A 53.1(16) . . . . ?
W5 O72 W9A O61 -102.2(16) . . . . ?
W5 O72 W9A O68 -39.4(16) . . . . ?
W5 O67 W2A O55 101.8(13) . . . . ?
W5 O67 W2A O62 22(2) . . . . ?
W5 O67 W2A O1A -57.9(13) . . . . ?
W5 O67 W2A O65 -157.6(12) . . . . ?
W5 O67 W2A O82 38.5(12) . . . . ?
W6 O78 W10A O43 21(2) . . . . ?
W6 O78 W10A O62 -50.2(13) . . . . ?
W6 O78 W10A O75 106.5(13) . . . . ?
W6 O78 W10A O79 -152.7(12) . . . . ?
W6 O78 W10A O42 41.9(13) . . . . ?
W6 O55 W2A O67 -96.3(12) . . . . ?
W6 O55 W2A O62 59.9(11) . . . . ?
W6 O55 W2A O1A -13(3) . . . . ?
W6 O55 W2A O65 160.8(10) . . . . ?
W6 O55 W2A O82 -5.3(9) . . . . ?
W8 O75 W10A O43 62.1(17) . . . . ?
W8 O75 W10A O78 -92.0(17) . . . . ?
W8 O75 W10A O62 -4(3) . . . . ?
W8 O75 W10A O79 164.6(16) . . . . ?
W8 O75 W10A O42 1.4(14) . . . . ?
Dy18 O84 W7A O38 81.8(15) . . . . ?
Dy18 O84 W7A O56 -70(4) . . . . ?
Dy18 O84 W7A O60 -76.6(13) . . . . ?
Dy18 O84 W7A O52 13.4(17) . . . . ?
Dy18 O84 W7A O66 -177.7(16) . . . . ?
O72 W5 O67 W2 55.3(13) . . . . ?
O72 W5 O67 W2A 53.6(13) . . . . ?
O72 W5 O49 Dy18 82(3) . . . . ?
O72 W5 O85 Dy18 -27(5) . . . . ?
O72 W9 O63 W4 -27(2) . . . . ?
O72 W9 O1A W2 -52.5(14) . . . . ?
O72 W9 O61 W11 98.5(17) . . . . ?
O43 W4 O63 W9 105.6(13) . . . . ?
O43 W4 O63 W9A 107.5(12) . . . . ?
O43 W4 O35 W8 -47.0(15) . . . . ?
O34 W3 O44 W5 114.5(11) . . . . ?
O34 W3 O54 Dy18 -73(3) . . . . ?
O34 W11 O39 W4 21(3) . . . . ?
O34 W11 O40 W1 51.4(14) . . . . ?
O34 W11 O61 W9 -99.1(17) . . . . ?
O39 W4 O63 W9 -51.1(12) . . . . ?
O39 W4 O63 W9A -49.3(12) . . . . ?
O39 W4 O35 W8 109.5(15) . . . . ?
O39 W11 O40 W1 -105.8(14) . . . . ?
O39 W11 O61 W9 58.7(17) . . . . ?
O78 W6 O60 W7 114.5(12) . . . . ?
O78 W6 O60 W7A 109.0(10) . . . . ?
O78 W6 O31 Dy18 -37(3) . . . . ?
O67 W2 O55 W6 -97.0(12) . . . . ?
O67 W2 O62 W10A 36(2) . . . . ?
O67 W5 O49 Dy18 145(2) . . . . ?
O67 W5 O85 Dy18 81.6(14) . . . . ?
Na3 O18 C33 C38 -30.6(19) . . . . ?
Na3 O18 C33 C34 155.3(12) . . . . ?
Na3 O18 C48 C47 43(4) . . . . ?
Na3 O16 C45 C46 49(2) . . . . ?
Na3 O16 C44 C43 -49(4) . . . . ?
Na3 O13 C39 C40 -45(3) . . . . ?
Na3 O17 C46 C45 67(2) . . . . ?
Na3 O17 C47 C48 56(3) . . . . ?
Na3 O14 C40 C39 -69(3) . . . . ?
Na3 O14 C41 C42 52(6) . . . . ?
O38 W1 O73 W3 -102.7(10) . . . . ?
O38 W7 O60 W6 -54.2(19) . . . . ?
O55 W2 O67 W5 99.2(13) . . . . ?
O55 W2 O62 W10A -48.8(14) . . . . ?
O55 W6 O60 W7 57.6(17) . . . . ?
O55 W6 O60 W7A 52.1(17) . . . . ?
O55 W6 O31 Dy18 -108.0(18) . . . . ?
O62 W2 O67 W5 14(2) . . . . ?
O62 W2 O55 W6 56.4(11) . . . . ?
O73 W1 O38 W7 99.4(12) . . . . ?
O73 W1 O38 W7A 99.4(13) . . . . ?
O73 W3 O44 W5 49.7(15) . . . . ?
O73 W3 O54 Dy18 -146(3) . . . . ?
O73 W3 O128 Dy18 -88.6(12) . . . . ?
O81 W11 O39 W4 -155.2(11) . . . . ?
O81 W11 O40 W1 147.5(13) . . . . ?
O81 W11 O61 W9 165.4(15) . . . . ?
O40 W1 O38 W7 12(2) . . . . ?
O40 W1 O38 W7A 12(2) . . . . ?
O40 W1 O73 W3 52.9(10) . . . . ?
O40 W11 O39 W4 103.6(12) . . . . ?
O40 W11 O61 W9 -25(3) . . . . ?
O44 W3 O54 Dy18 9(3) . . . . ?
O44 W3 O128 Dy18 67.5(12) . . . . ?
O44 W5 O67 W2 -5.7(19) . . . . ?
O44 W5 O67 W2A -7.4(19) . . . . ?
O44 W5 O49 Dy18 -5(2) . . . . ?
O44 W5 O85 Dy18 -71.0(13) . . . . ?
O63 W4 O35 W8 32(2) . . . . ?
O63 W9 O72 W5 -29(2) . . . . ?
O63 W9 O1A W2 100.8(14) . . . . ?
O63 W9 O61 W11 -55.2(16) . . . . ?
O48 W9 O72 W5 151.8(15) . . . . ?
O48 W9 O63 W4 153.1(11) . . . . ?
O48 W9 O1A W2 -155.5(13) . . . . ?
O48 W9 O61 W11 -158.1(16) . . . . ?
O56 W7 O60 W6 -112.5(12) . . . . ?
O56 W8 O71 W1 -44.7(15) . . . . ?
O60 W6 O31 Dy18 46.3(19) . . . . ?
O31 W6 O60 W7 -45.2(13) . . . . ?
O31 W6 O60 W7A -50.7(12) . . . . ?
O18 C33 C38 C37 -174.6(19) . . . . ?
O18 C33 C38 O13 -3.4(19) . . . . ?
O18 C33 C34 C35 174(2) . . . . ?
O18 C48 C47 O17 -63(4) . . . . ?
O1A W2 O67 W5 -58.7(13) . . . . ?
O1A W2 O55 W6 -21(2) . . . . ?
O1A W2 O62 W10A 108.9(14) . . . . ?
O1A W9 O72 W5 51.0(16) . . . . ?
O1A W9 O63 W4 -106.6(12) . . . . ?
O1A W9 O61 W11 12(3) . . . . ?
O45 W1 O38 W7 -161.5(11) . . . . ?
O45 W1 O38 W7A -161.6(13) . . . . ?
O45 W1 O73 W3 154.5(10) . . . . ?
O35 W4 O63 W9 26(2) . . . . ?
O35 W4 O63 W9A 27.8(19) . . . . ?
O35 W8 O56 W7 -27(3) . . . . ?
O35 W8 O56 W7A -37(2) . . . . ?
O35 W8 O71 W1 108.4(15) . . . . ?
C33 O18 C48 C47 -175(3) . . . . ?
C33 C38 C37 C36 0.0 . . . . ?
C33 C38 O13 Na3 36(2) . . . . ?
C33 C38 O13 C39 179.3(17) . . . . ?
C38 C33 C34 C35 0.0 . . . . ?
C38 C37 C36 C35 0.0 . . . . ?
C38 O13 C39 C40 173(2) . . . . ?
C37 C38 O13 Na3 -154.2(12) . . . . ?
C37 C38 O13 C39 -10(3) . . . . ?
C37 C36 C35 C34 0.0 . . . . ?
C36 C35 C34 C33 0.0 . . . . ?
C34 C33 C38 C37 0.0 . . . . ?
C34 C33 C38 O13 171(2) . . . . ?
O49 W5 O67 W2 -95.7(13) . . . . ?
O65 W2 O67 W5 -157.0(12) . . . . ?
O65 W2 O55 W6 160.4(11) . . . . ?
O65 W2 O62 W10A -152.5(13) . . . . ?
O24 C54 C49 O19 11(3) . . . . ?
O24 C54 C49 C50 -171(2) . . . . ?
O57 W6 O60 W7 -134.9(15) . . . . ?
O57 W6 O31 Dy18 142.5(19) . . . . ?
O61 W9 O72 W5 -104.6(16) . . . . ?
O61 W9 O63 W4 51.0(12) . . . . ?
O61 W9 O1A W2 35(2) . . . . ?
O61 W11 O39 W4 -52.8(13) . . . . ?
O61 W11 O40 W1 -22(3) . . . . ?
O47 W7 O60 W6 139.7(15) . . . . ?
O16 C45 C46 O17 -79(3) . . . . ?
O16 C44 C43 O15 55(4) . . . . ?
O5 C8 C7 O6 67(3) . . . . ?
O5 C9 C10 O86 -6(8) . . . . ?
O13 C38 C37 C36 -169(2) . . . . ?
O13 C39 C40 O14 68(3) . . . . ?
O75 W8 O56 W7 -103.8(17) . . . . ?
O75 W8 O56 W7A -113.2(15) . . . . ?
O75 W8 O71 W1 45(2) . . . . ?
O50 W5 O67 W2 151.7(13) . . . . ?
O50 W5 O67 W2A 150.0(13) . . . . ?
O50 W5 O49 Dy18 -113(2) . . . . ?
O50 W5 O85 Dy18 -174.2(13) . . . . ?
O19 C49 C50 C51 177(3) . . . . ?
O6 C6 C5 C4 178(3) . . . . ?
O6 C6 C1 O83 -1(3) . . . . ?
O6 C6 C1 C2 -178(3) . . . . ?
C63 O20 C62 C61 169(4) . . . . ?
O33 W3 O44 W5 -162.5(11) . . . . ?
O33 W3 O54 Dy18 122(2) . . . . ?
O83 C16 C15 O2 -53(4) . . . . ?
O80 W4 O63 W9 -150.1(13) . . . . ?
O80 W4 O63 W9A -148.3(13) . . . . ?
O80 W4 O35 W8 -152.2(15) . . . . ?
C64 O19 C49 C54 164(3) . . . . ?
C64 O19 C49 C50 -13(4) . . . . ?
C64 C63 O20 Na1 -43(4) . . . . ?
C64 C63 O20 C62 161(4) . . . . ?
C31 O8 C30 C29 102(5) . . . . ?
C45 O16 C44 C43 -176(3) . . . . ?
C6 O6 C7 C8 -165(2) . . . . ?
C6 C5 C4 C3 0.0 . . . . ?
C5 C6 C1 O83 177(3) . . . . ?
C5 C6 C1 C2 0.0 . . . . ?
C5 C4 C3 C2 0.0 . . . . ?
C4 C3 C2 C1 0.0 . . . . ?
C3 C2 C1 O83 -177(3) . . . . ?
C3 C2 C1 C6 0.0 . . . . ?
C1 O83 C16 C15 -176(3) . . . . ?
C1 C6 C5 C4 0.0 . . . . ?
C48 O18 C33 C38 -172(2) . . . . ?
C48 O18 C33 C34 14(3) . . . . ?
C56 O23 C57 C58 171(4) . . . . ?
O7 C17 C18 C19 164(3) . . . . ?
O7 C17 C22 O12 -10(3) . . . . ?
O7 C17 C22 C21 -164(3) . . . . ?
O20 C63 C64 O19 57(4) . . . . ?
C55 O24 C54 C53 13(3) . . . . ?
C55 O24 C54 C49 -177(2) . . . . ?
C55 C56 O23 Na1 39(4) . . . . ?
C55 C56 O23 C57 -107(4) . . . . ?
O71 W1 O38 W7 -56.0(12) . . . . ?
O71 W1 O38 W7A -56.1(13) . . . . ?
O71 W1 O73 W3 -21.7(17) . . . . ?
O71 W8 O56 W7 51.2(17) . . . . ?
O71 W8 O56 W7A 41.8(15) . . . . ?
Na5 O5 C8 C7 -75(3) . . . . ?
Na5 O5 C9 C10 -10(5) . . . . ?
Na5 O6 C6 C5 -151.3(18) . . . . ?
Na5 O6 C6 C1 27(3) . . . . ?
Na5 O6 C7 C8 -23(3) . . . . ?
Na5 O83 C1 C6 -24(3) . . . . ?
Na5 O83 C1 C2 152.8(15) . . . . ?
Na5 O83 C16 C15 23(4) . . . . ?
Na5 O3 C12 C11 38(5) . . . . ?
Na5 O3 C13 C14 -40(6) . . . . ?
Na5 O2 C15 C16 61(4) . . . . ?
Na5 O86 C10 C9 22(9) . . . . ?
Na5 O86 C11 C12 52(5) . . . . ?
C16 O83 C1 C6 175(2) . . . . ?
C16 O83 C1 C2 -8(4) . . . . ?
O3 C12 C11 O86 -54(5) . . . . ?
C32 C31 O8 Na2 -76(3) . . . . ?
C32 C31 O8 C30 147(4) . . . . ?
C32 O7 C17 C18 -3(4) . . . . ?
C32 O7 C17 C22 161(3) . . . . ?
C14 O2 C15 C16 -175(3) . . . . ?
C52 C53 C54 O24 170(3) . . . . ?
C52 C53 C54 C49 0.0 . . . . ?
C53 C52 C51 C50 0.0 . . . . ?
C53 C54 C49 O19 -177(3) . . . . ?
C53 C54 C49 C50 0.0 . . . . ?
C54 O24 C55 C56 170(3) . . . . ?
C54 C49 C50 C51 0.0 . . . . ?
C49 O19 C64 C63 171(3) . . . . ?
C49 C50 C51 C52 0.0 . . . . ?
C51 C52 C53 C54 0.0 . . . . ?
C46 O17 C47 C48 -67(4) . . . . ?
C44 O16 C45 C46 177(2) . . . . ?
C44 C43 O15 Na3 -43(3) . . . . ?
C44 C43 O15 C42 138(4) . . . . ?
C26 O10 C27 C28 -153(6) . . . . ?
O36 W7 O60 W6 32.7(14) . . . . ?
O74 W8 O56 W7 155.4(16) . . . . ?
O74 W8 O56 W7A 146.0(14) . . . . ?
O74 W8 O71 W1 -147.6(14) . . . . ?
O14 C41 C42 O15 -18(8) . . . . ?
C40 O14 C41 C42 176(5) . . . . ?
C41 O14 C40 C39 167(4) . . . . ?
C41 C42 O15 Na3 -24(7) . . . . ?
C41 C42 O15 C43 155(5) . . . . ?
O46 W6 O60 W7 23.4(10) . . . . ?
O46 W6 O31 Dy18 -15.4(17) . . . . ?
O46 W7 O60 W6 -23.1(10) . . . . ?
O46 P O32 W2 -57.3(12) . . . . ?
O46 P O32 W5 66.4(12) . . . . ?
O46 P O32 W9 -177.6(10) . . . . ?
O46 P O42 W4 178.4(10) . . . . ?
O46 P O42 W8 -58.0(11) . . . . ?
O46 P O42 W10A 56.9(12) . . . . ?
O46 P O76 W1 58.8(13) . . . . ?
O46 P O76 W3 -65.0(11) . . . . ?
O32 W2 O67 W5 5.4(11) . . . . ?
O32 W2 O55 W6 -36.7(11) . . . . ?
O32 W2 O62 W10A 44.0(14) . . . . ?
O32 W5 O67 W2 -5.3(10) . . . . ?
O32 W5 O49 Dy18 87(2) . . . . ?
O32 W9 O72 W5 -9.0(13) . . . . ?
O32 W9 O63 W4 -43.8(12) . . . . ?
O32 W9 O1A W2 7.1(11) . . . . ?
O32 W9 O61 W11 36.1(17) . . . . ?
O32 P O46 W6 52.5(14) . . . . ?
O32 P O46 W7 180.0(11) . . . . ?
O32 P O42 W4 60.3(12) . . . . ?
O32 P O42 W8 -176.1(9) . . . . ?
O32 P O42 W10A -61.2(11) . . . . ?
O32 P O76 W1 -178.7(9) . . . . ?
O32 P O76 W3 57.5(11) . . . . ?
O42 W4 O63 W9 42.9(12) . . . . ?
O42 W4 O35 W8 12.5(12) . . . . ?
O42 W8 O56 W7 -40.5(17) . . . . ?
O42 W8 O71 W1 48.7(15) . . . . ?
O42 P O46 W6 -64.9(13) . . . . ?
O42 P O46 W7 62.5(13) . . . . ?
O42 P O32 W2 60.2(11) . . . . ?
O42 P O32 W5 -176.1(8) . . . . ?
O42 P O32 W9 -60.1(13) . . . . ?
O42 P O76 W1 -59.3(12) . . . . ?
O42 P O76 W3 176.9(9) . . . . ?
O11 C24 C23 O12 73(4) . . . . ?
O9 C29 C30 O8 63(6) . . . . ?
O9 C28 C27 O10 -31(8) . . . . ?
C47 O17 C46 C45 -167(3) . . . . ?
O10 C26 C65 O11 -73(4) . . . . ?
C24 O11 C65 C26 -179(3) . . . . ?
C65 C26 O10 Na2 54(4) . . . . ?
C65 C26 O10 C27 -130(6) . . . . ?
C65 O11 C24 C23 168(3) . . . . ?
C8 O5 C9 C10 122(4) . . . . ?
C7 O6 C6 C5 -11(3) . . . . ?
C7 O6 C6 C1 167.6(16) . . . . ?
O76 W1 O38 W7 34.9(12) . . . . ?
O76 W1 O73 W3 -10.0(8) . . . . ?
O76 W3 O44 W5 51.7(10) . . . . ?
O76 W3 O54 Dy18 -82(2) . . . . ?
O76 P O46 W6 177.2(10) . . . . ?
O76 P O46 W7 -55.4(14) . . . . ?
O76 P O32 W2 179.5(9) . . . . ?
O76 P O32 W5 -56.8(12) . . . . ?
O76 P O32 W9 59.2(14) . . . . ?
O76 P O42 W4 -62.1(12) . . . . ?
O76 P O42 W8 61.6(10) . . . . ?
O76 P O42 W10A 176.5(9) . . . . ?
O54 W3 O44 W5 -34.3(11) . . . . ?
O2 C14 C13 O3 60(5) . . . . ?
Na1 O24 C55 C56 38(4) . . . . ?
Na1 O24 C54 C53 147.1(17) . . . . ?
Na1 O24 C54 C49 -42(2) . . . . ?
Na1 O19 C64 C63 -48(4) . . . . ?
Na1 O19 C49 C54 23(2) . . . . ?
Na1 O19 C49 C50 -154.1(15) . . . . ?
Na1 O20 C62 C61 16(6) . . . . ?
Na1 O22 C58 C57 30(8) . . . . ?
Na1 O22 C59 C60 51(5) . . . . ?
Na1 O23 C57 C58 39(6) . . . . ?
Na1 O21 C61 C62 -51(6) . . . . ?
Na2 O12 C23 C24 -47(4) . . . . ?
Na2 O12 C22 C17 44(3) . . . . ?
Na2 O12 C22 C21 -162.6(15) . . . . ?
Na2 O7 C32 C31 -53(4) . . . . ?
Na2 O7 C17 C18 167.4(17) . . . . ?
Na2 O7 C17 C22 -28(3) . . . . ?
Na2 O11 C24 C23 -70(3) . . . . ?
Na2 O11 C65 C26 58(4) . . . . ?
Na2 O9 C29 C30 -61(5) . . . . ?
Na2 O9 C28 C27 27(6) . . . . ?
Na2 O10 C27 C28 22(9) . . . . ?
Na2 O8 C30 C29 -35(5) . . . . ?
O68 W4 O63 W9A 12.8(10) . . . . ?
O68 W4 O35 W8 45.1(15) . . . . ?
O68 P O82 W6 178.3(10) . . . . ?
O68 P O82 W2A -56.0(14) . . . . ?
O68 P O52 W1 56.3(15) . . . . ?
O68 P O52 W7A 179.5(11) . . . . ?
O68 P O53 W3 -63.9(12) . . . . ?
O68 P O53 W5 66.8(12) . . . . ?
O82 W6 O60 W7A 47.6(10) . . . . ?
O82 W6 O31 Dy18 -45.9(19) . . . . ?
O82 P O68 W4 -60.2(14) . . . . ?
O82 P O68 W9A 59.9(13) . . . . ?
O82 P O52 W1 179.8(11) . . . . ?
O82 P O52 W7A -56.9(15) . . . . ?
O82 P O53 W3 175.5(9) . . . . ?
O82 P O53 W5 -53.8(11) . . . . ?
O52 W1 O38 W7A 5.8(12) . . . . ?
O52 W1 O73 W3 -40.6(10) . . . . ?
O52 P O68 W4 63.4(13) . . . . ?
O52 P O68 W9A -176.5(10) . . . . ?
O52 P O82 W6 56.1(15) . . . . ?
O52 P O82 W2A -178.2(10) . . . . ?
O52 P O53 W3 53.2(11) . . . . ?
O52 P O53 W5 -176.1(9) . . . . ?
O53 W3 O44 W5 19.7(9) . . . . ?
O53 W3 O128 Dy18 5.8(11) . . . . ?
O53 W5 O67 W2A -35.9(13) . . . . ?
O53 W5 O85 Dy18 -10.7(12) . . . . ?
O53 P O68 W4 180.0(10) . . . . ?
O53 P O68 W9A -59.9(12) . . . . ?
O53 P O82 W6 -64.3(12) . . . . ?
O53 P O82 W2A 61.4(12) . . . . ?
O53 P O52 W1 -58.8(14) . . . . ?
O53 P O52 W7A 64.5(13) . . . . ?
C29 O9 C28 C27 168(5) . . . . ?
O85 W5 O67 W2A -116.5(13) . . . . ?
O128 W3 O44 W5 -59.3(11) . . . . ?
C28 O9 C29 C30 154(4) . . . . ?
O8 C31 C32 O7 77(3) . . . . ?
C12 O3 C13 C14 166(4) . . . . ?
C9 O5 C8 C7 147(3) . . . . ?
C10 O86 C11 C12 -122(5) . . . . ?
O22 C58 C57 O23 -35(6) . . . . ?
C58 O22 C59 C60 -111(5) . . . . ?
O23 C56 C55 O24 -52(5) . . . . ?
C23 O12 C22 C17 -180(3) . . . . ?
C23 O12 C22 C21 -26(4) . . . . ?
C60 O21 C61 C62 153(6) . . . . ?
O21 C60 C59 O22 -45(7) . . . . ?
O21 C61 C62 O20 21(6) . . . . ?
C59 O22 C58 C57 -170(4) . . . . ?
C59 C60 O21 Na1 28(8) . . . . ?
C59 C60 O21 C61 -178(5) . . . . ?
O69 W6 O60 W7A -167.9(12) . . . . ?
O69 W6 O31 Dy18 156.5(19) . . . . ?
O59 W3 O44 W5 -140.5(12) . . . . ?
O59 W3 O128 Dy18 167.2(15) . . . . ?
C11 O86 C10 C9 -164(5) . . . . ?
C13 O3 C12 C11 -172(4) . . . . ?
C13 C14 O2 Na5 -53(4) . . . . ?
C13 C14 O2 C15 -176(4) . . . . ?
C17 O7 C32 C31 117(3) . . . . ?
C17 C18 C19 C20 0.0 . . . . ?
C18 C17 C22 O12 154(3) . . . . ?
C18 C17 C22 C21 0.0 . . . . ?
C18 C19 C20 C21 0.0 . . . . ?
C19 C20 C21 C22 0.0 . . . . ?
C20 C21 C22 O12 -152(3) . . . . ?
C20 C21 C22 C17 0.0 . . . . ?
C22 O12 C23 C24 179(3) . . . . ?
C22 C17 C18 C19 0.0 . . . . ?
W10A O62 W2A O67 28(2) . . . . ?
W10A O62 W2A O55 -52.7(14) . . . . ?
W10A O62 W2A O1A 107.7(14) . . . . ?
W10A O62 W2A O65 -152.8(13) . . . . ?
W10A O62 W2A O82 9.6(12) . . . . ?
W11A O61 W9A O72 80.6(17) . . . . ?
W11A O61 W9A O63 -72.7(17) . . . . ?
W11A O61 W9A O48 -174.0(15) . . . . ?
W11A O61 W9A O1A -10(3) . . . . ?
W11A O61 W9A O68 -10.6(15) . . . . ?
W9A O1A W2A O67 51.2(14) . . . . ?
W9A O1A W2A O55 -32(3) . . . . ?
W9A O1A W2A O62 -105.0(13) . . . . ?
W9A O1A W2A O65 153.9(13) . . . . ?
W9A O1A W2A O82 -39.2(14) . . . . ?

loop_
_platon_missing_refln_index_h
_platon_missing_refln_index_k
_platon_missing_refln_index_l
_platon_missing_refln_theta
0 0 1 1.828
1 1 1 3.244
0 0 2 3.658

_platon_squeeze_details          
;
TITL exp_1_auto       P -1         R = 0.09
CELL   17.5657   17.8718   24.6678     83.62     78.59     66.81
SPGR P-1
# Solvent Accessible Volume =      1721
# Electrons Found in S.A.V. =       447
# Note: Atoms in Void are Labelled as Cxxx and Qxxx for all Others
Q101 0.369 0.999 0.295 !       3.92 eA-3
Q102 0.643 0.189 0.367 !       3.22 eA-3
Q103 0.601 0.171 0.156 !       3.15 eA-3
Q104 0.726 1.001 0.226 !       2.97 eA-3
Q105 0.728 0.984 0.325 !       2.97 eA-3
Q106 0.425 0.315 0.304 !       2.92 eA-3
Q107 0.642 0.936 0.367 !       2.81 eA-3
Q108 0.504 0.345 0.281 !       2.75 eA-3
Q109 0.298 0.184 0.345 !       2.75 eA-3
Q110 0.386 0.220 0.298 !       2.67 eA-3
Q111 0.408 0.033 0.434 !       2.65 eA-3
Q112 0.505 0.047 0.401 !       2.63 eA-3
Q113 0.471 0.043 0.167 !       2.63 eA-3
Q114 0.727 0.254 0.234 !       2.62 eA-3
Q115 0.650 0.206 0.282 !       2.61 eA-3
Q116 0.606 0.891 0.242 !       2.59 eA-3
Q117 0.481 0.016 0.263 !       2.40 eA-3
Q118 0.561 0.138 0.413 !       2.38 eA-3
Q119 0.692 0.204 0.111 !       2.27 eA-3
Q120 0.819 0.046 0.209 !       2.22 eA-3
Q121 0.684 0.937 0.193 !       2.11 eA-3
Q122 0.578 0.062 0.143 !       2.08 eA-3
Q123 0.382 0.261 0.213 !       2.07 eA-3
Q124 0.551 0.100 0.109 !       2.04 eA-3
Q125 0.416 0.956 0.262 !       1.95 eA-3
Q126 0.541 0.310 0.315 !       1.89 eA-3
Q127 0.702 0.921 0.228 !       1.85 eA-3
Q128 0.468 0.295 0.162 !       1.71 eA-3
Q129 0.950 0.158 0.063 !       1.56 eA-3
Q130 0.116 0.314 0.424 !       1.54 eA-3
Q131 0.688 0.202 0.155 !       1.53 eA-3
Q132 0.417 0.218 0.185 !       1.47 eA-3
Q133 0.623 0.158 0.101 !       1.46 eA-3
Q134 0.665 0.204 0.234 !       1.42 eA-3
Q135 0.174 0.533 0.237 !       1.39 eA-3
Q136 0.185 0.577 0.245 !       1.33 eA-3
Q137 0.468 0.092 0.439 !       1.32 eA-3
C138 0.905 0.402 0.476 !       1.30 eA-3
C139 0.107 0.640 0.431 !       1.28 eA-3
Q140 0.348 0.264 0.336 !       1.28 eA-3
Q141 0.299 0.219 0.089 !       1.24 eA-3
Q142 0.620 0.875 0.203 !       1.23 eA-3
Q143 0.360 0.810 0.445 !       1.23 eA-3
Q144 0.606 0.096 0.383 !       1.22 eA-3
Q145 0.529 0.904 0.251 !       1.20 eA-3
Q146 0.350 0.284 0.319 !       1.20 eA-3
C147 0.234 0.250 0.009 !       1.19 eA-3
C148 0.171 0.406 0.060 !       1.17 eA-3
Q149 0.082 0.703 0.255 !       1.17 eA-3
C150 0.013 0.609 0.073 !       1.16 eA-3
Q151 0.508 0.131 0.180 !       1.16 eA-3
C152 0.966 0.606 0.079 !       1.16 eA-3
Q153 0.920 0.388 0.438 !       1.15 eA-3
C154 0.199 0.668 0.210 !       1.15 eA-3
C155 0.924 0.437 0.138 !       1.13 eA-3
C156 0.310 0.240 0.064 !       1.13 eA-3
Q157 0.748 0.126 0.264 !       1.12 eA-3
Q158 0.519 0.332 0.347 !       1.12 eA-3
Q159 0.716 0.248 0.297 !       1.12 eA-3
C160 0.010 0.612 0.393 !       1.12 eA-3
C161 0.124 0.704 0.210 !       1.12 eA-3
C162 0.167 0.720 0.185 !       1.11 eA-3
Q163 0.338 0.173 0.283 !       1.10 eA-3
Q164 0.162 0.454 0.242 !       1.10 eA-3
Q165 0.141 0.669 0.220 !       1.10 eA-3
C166 0.890 0.411 0.133 !       1.09 eA-3
C167 0.897 0.619 0.445 !       1.09 eA-3
Q168 0.012 0.761 0.243 !       1.09 eA-3
Q169 0.673 0.186 0.314 !       1.08 eA-3
Q170 0.985 0.492 0.304 !       1.08 eA-3
C171 0.227 0.359 0.018 !       1.07 eA-3
C172 0.234 0.607 0.200 !       1.07 eA-3
C173 0.935 0.626 0.128 !       1.07 eA-3
Q174 0.184 0.422 0.211 !       1.07 eA-3
Q175 0.576 0.142 0.352 !       1.06 eA-3
C176 0.748 0.730 0.106 !       1.04 eA-3
C177 0.827 0.470 0.132 !       1.04 eA-3
Q178 0.443 1.003 0.401 !       1.04 eA-3
C179 0.799 0.705 0.100 !       1.03 eA-3
Q180 0.953 0.484 0.145 !       1.03 eA-3
Q181 0.527 0.045 0.431 !       1.02 eA-3
Q182 0.424 0.065 0.305 !       1.02 eA-3
C183 0.853 0.684 0.416 !       1.02 eA-3
Q184 0.133 0.548 0.354 !       1.02 eA-3
Q185 0.773 0.673 0.126 !       1.02 eA-3
C186 0.870 0.651 0.032 !       1.01 eA-3
Q187 0.961 0.501 0.273 !       1.00 eA-3
Q188 0.142 0.238 0.059 !       1.00 eA-3
Q189 0.216 0.677 0.161 !       0.99 eA-3
Q190 0.909 0.669 0.269 !       0.99 eA-3
Q191 0.567 0.984 0.374 !       0.99 eA-3
C192 0.864 0.607 0.067 !       0.99 eA-3
C193 0.951 0.407 0.174 !       0.99 eA-3
Q194 0.242 0.654 0.189 !       0.98 eA-3
C195 0.141 0.438 0.139 !       0.98 eA-3
Q196 0.082 0.438 0.330 !       0.98 eA-3
Q197 0.924 0.750 0.283 !       0.98 eA-3
Q198 0.919 0.144 0.114 !       0.98 eA-3
C199 0.858 0.668 0.327 !       0.98 eA-3
;
_platon_squeeze_special_details  ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.500 0.887 1721 447 ' '

_platon_squeeze_void_probe_radius 1.20

_olex2_exptl_crystal_mounting_method 'MiTeGen cryoloop'
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.808
_oxdiff_exptl_absorpt_empirical_full_min 0.665
_exptl_crystal_preparation       'Magnetic properties'
