# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_platon-sr
_database_code_depnum_ccdc_archive 'CCDC 1528863'
_audit_update_record             
;
2017-03-10 deposited with the CCDC.
2017-03-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C124 H164 Ce4 N20 O80 Si W12'
_chemical_formula_weight         6009.52

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ce Ce -0.2486 2.6331 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'P 42/n'

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

_cell_length_a                   23.714(3)
_cell_length_b                   23.714(3)
_cell_length_c                   16.575(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     9321(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    19661
_cell_measurement_theta_min      2.1119
_cell_measurement_theta_max      27.4816

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.141
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5644
_exptl_absorpt_coefficient_mu    8.420
_exptl_absorpt_correction_type   Numerical
_exptl_absorpt_correction_T_min  0.2708
_exptl_absorpt_correction_T_max  0.3125
_exptl_absorpt_process_details   'RIGAKU/MSC(2004), CrystalClear Version 1.3.6'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  Saturn724+
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            67391
_diffrn_reflns_av_R_equivalents  0.0531
_diffrn_reflns_av_sigmaI/netI    0.0345
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.11
_diffrn_reflns_theta_max         27.46
_reflns_number_total             10574
_reflns_number_gt                8452
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0771P)²+149.6558P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         10574
_refine_ls_number_parameters     554
_refine_ls_number_restraints     840
_refine_ls_R_factor_all          0.0897
_refine_ls_R_factor_gt           0.0761
_refine_ls_wR_factor_ref         0.2001
_refine_ls_wR_factor_gt          0.1907
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_restrained_S_all      1.028
_refine_ls_shift/su_max          0.026
_refine_ls_shift/su_mean         0.001

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ce1 Ce 0.37054(2) 0.64558(2) 0.08940(3) 0.04549(12) Uani 1 1 d U . .
Si1 Si 0.2500 0.2500 0.2500 0.0483(12) Uani 1 4 d SU . .
W1 W 0.284703(19) 0.34895(2) 0.09902(2) 0.05937(12) Uani 1 1 d U . .
W2 W 0.19208(2) 0.387365(19) 0.24300(2) 0.05930(12) Uani 1 1 d U . .
W3 W 0.153624(18) 0.29426(2) 0.09866(2) 0.05956(12) Uani 1 1 d U . .
O1 O 0.3369(3) 0.5571(3) 0.0289(4) 0.070(2) Uani 1 1 d U . .
O2 O 0.3179(3) 0.6367(3) -0.0356(4) 0.0621(19) Uani 1 1 d U . .
O3 O 0.2027(4) 0.6282(3) -0.2887(5) 0.071(2) Uani 1 1 d U . .
O4 O 0.1909(3) 0.5469(3) -0.3501(4) 0.064(2) Uani 1 1 d U . .
O5 O 0.1599(3) 0.4030(3) -0.1394(5) 0.072(2) Uani 1 1 d U . .
O6 O 0.3521(3) 0.3936(3) -0.1601(4) 0.065(2) Uani 1 1 d U . .
O7 O 0.2816(3) 0.6364(4) 0.1463(6) 0.088(3) Uani 1 1 d U . .
O8 O 0.3994(4) 0.5785(4) 0.1811(5) 0.084(3) Uani 1 1 d U . .
O9 O 0.4435(3) 0.6201(4) 0.0032(5) 0.083(3) Uani 1 1 d U . .
O10 O 0.3683(4) 0.7335(4) 0.0346(6) 0.098(3) Uani 1 1 d DU . .
O11 O 0.2275(3) 0.3013(3) 0.1929(3) 0.0538(17) Uani 1 1 d U . .
O12 O 0.1526(3) 0.3405(3) 0.3180(4) 0.0579(18) Uani 1 1 d U . .
O13 O 0.2523(3) 0.3840(3) 0.3189(4) 0.064(2) Uani 1 1 d U . .
O14 O 0.1641(4) 0.4529(3) 0.2630(5) 0.073(2) Uani 1 1 d U . .
O15 O 0.2459(3) 0.4070(3) 0.1592(4) 0.065(2) Uani 1 1 d U . .
O16 O 0.3166(3) 0.3902(4) 0.0274(4) 0.073(2) Uani 1 1 d U . .
O17 O 0.3120(3) 0.2761(4) 0.0716(4) 0.066(2) Uani 1 1 d U . .
O18 O 0.2145(3) 0.3328(3) 0.0457(4) 0.063(2) Uani 1 1 d U . .
O19 O 0.1410(3) 0.3625(3) 0.1587(4) 0.0597(19) Uani 1 1 d U . .
O20 O 0.1013(3) 0.3003(4) 0.0278(4) 0.074(2) Uani 1 1 d U . .
C1 C 0.3158(5) 0.5826(5) -0.0303(6) 0.0626(16) Uani 1 1 d U . .
C2 C 0.2864(5) 0.5497(4) -0.0956(6) 0.0585(15) Uani 1 1 d U . .
C3 C 0.2629(4) 0.5771(4) -0.1592(6) 0.0577(14) Uani 1 1 d U . .
H3 H 0.2645 0.6171 -0.1620 0.069 Uiso 1 1 calc R . .
C4 C 0.2081(5) 0.5752(4) -0.2897(6) 0.0593(16) Uani 1 1 d U . .
C5 C 0.2360(5) 0.5461(4) -0.2216(6) 0.0584(15) Uani 1 1 d U . .
C6 C 0.2337(5) 0.4892(4) -0.2169(6) 0.0572(14) Uani 1 1 d U . .
H6 H 0.2146 0.4685 -0.2577 0.069 Uiso 1 1 calc R . .
C7 C 0.2595(5) 0.4600(4) -0.1516(6) 0.0571(13) Uani 1 1 d U . .
C8 C 0.2855(5) 0.4902(4) -0.0906(6) 0.0577(14) Uani 1 1 d U . .
H8 H 0.3023 0.4713 -0.0462 0.069 Uiso 1 1 calc R . .
C9 C 0.2020(5) 0.3731(4) -0.1432(5) 0.0540(14) Uani 1 1 d U . .
C10 C 0.2013(4) 0.3106(4) -0.1430(5) 0.0506(15) Uani 1 1 d U . .
C11 C 0.2513(4) 0.2801(4) -0.1433(5) 0.0531(15) Uani 1 1 d U . .
C12 C 0.3037(4) 0.3072(4) -0.1446(5) 0.0523(14) Uani 1 1 d U . .
C13 C 0.3085(5) 0.3695(4) -0.1496(5) 0.0540(14) Uani 1 1 d U . .
C14 C 0.3534(4) 0.2752(4) -0.1437(5) 0.0523(16) Uani 1 1 d U . .
H14 H 0.3890 0.2937 -0.1446 0.063 Uiso 1 1 calc R . .
C15 C 0.3510(4) 0.2146(4) -0.1414(5) 0.0547(18) Uani 1 1 d U . .
H15 H 0.3844 0.1927 -0.1389 0.066 Uiso 1 1 calc R . .
C16 C 0.4938(7) 0.6119(8) -0.0201(10) 0.107(4) Uani 1 1 d U . .
C17 C 0.5447(8) 0.6501(9) 0.0044(13) 0.137(4) Uani 1 1 d U . .
H17A H 0.5668 0.6312 0.0464 0.206 Uiso 1 1 calc R . .
H17B H 0.5306 0.6862 0.0250 0.206 Uiso 1 1 calc R . .
H17C H 0.5686 0.6569 -0.0429 0.206 Uiso 1 1 calc R . .
C18 C 0.5635(6) 0.5569(7) -0.0943(10) 0.111(4) Uani 1 1 d U . .
H18A H 0.5916 0.5796 -0.0653 0.167 Uiso 1 1 calc R . .
H18B H 0.5644 0.5666 -0.1518 0.167 Uiso 1 1 calc R . .
H18C H 0.5722 0.5168 -0.0876 0.167 Uiso 1 1 calc R . .
C19 C 0.4562(6) 0.5342(7) -0.0952(9) 0.099(4) Uani 1 1 d U . .
H19A H 0.4354 0.5171 -0.0502 0.148 Uiso 1 1 calc R . .
H19B H 0.4701 0.5044 -0.1310 0.148 Uiso 1 1 calc R . .
H19C H 0.4310 0.5593 -0.1254 0.148 Uiso 1 1 calc R . .
C20 C 0.4207(10) 0.5519(9) 0.2364(12) 0.124(4) Uani 1 1 d U . .
C21 C 0.4871(9) 0.5730(9) 0.2611(11) 0.135(5) Uani 1 1 d U . .
H21A H 0.4855 0.5982 0.3078 0.202 Uiso 1 1 calc R . .
H21B H 0.5040 0.5929 0.2153 0.202 Uiso 1 1 calc R . .
H21C H 0.5101 0.5399 0.2744 0.202 Uiso 1 1 calc R . .
C22 C 0.4368(8) 0.4805(8) 0.3385(11) 0.132(4) Uani 1 1 d U . .
H22A H 0.4633 0.4547 0.3122 0.198 Uiso 1 1 calc R . .
H22B H 0.4098 0.4589 0.3707 0.198 Uiso 1 1 calc R . .
H22C H 0.4577 0.5063 0.3738 0.198 Uiso 1 1 calc R . .
C23 C 0.3471(9) 0.4923(8) 0.2410(10) 0.122(4) Uani 1 1 d U . .
H23A H 0.3163 0.5148 0.2637 0.183 Uiso 1 1 calc R . .
H23B H 0.3424 0.4528 0.2569 0.183 Uiso 1 1 calc R . .
H23C H 0.3465 0.4953 0.1821 0.183 Uiso 1 1 calc R . .
C24 C 0.2373(9) 0.6112(9) 0.1790(14) 0.139(4) Uani 1 1 d U . .
C25 C 0.2190(8) 0.5532(8) 0.1392(12) 0.126(4) Uani 1 1 d U . .
H25A H 0.2047 0.5278 0.1811 0.189 Uiso 1 1 calc R . .
H25B H 0.2516 0.5359 0.1125 0.189 Uiso 1 1 calc R . .
H25C H 0.1892 0.5601 0.0993 0.189 Uiso 1 1 calc R . .
C26 C 0.1661(8) 0.6059(8) 0.2867(14) 0.153(5) Uani 1 1 d U . .
H26A H 0.1741 0.5672 0.3044 0.230 Uiso 1 1 calc R . .
H26B H 0.1332 0.6057 0.2508 0.230 Uiso 1 1 calc R . .
H26C H 0.1581 0.6295 0.3338 0.230 Uiso 1 1 calc RD . .
C27 C 0.2254(9) 0.6842(9) 0.2644(12) 0.148(5) Uani 1 1 d U . .
H27A H 0.1913 0.7001 0.2888 0.222 Uiso 1 1 calc RD . .
H27B H 0.2354 0.7059 0.2162 0.222 Uiso 1 1 calc R . .
H27C H 0.2564 0.6858 0.3033 0.222 Uiso 1 1 calc R . .
C28 C 0.3588(5) 0.7762(8) -0.0031(11) 0.211(4) Uani 1 1 d DU . .
C29 C 0.2997(4) 0.8074(3) -0.0156(12) 0.231(5) Uani 1 1 d DU . .
H29A H 0.2904 0.8082 -0.0732 0.347 Uiso 1 1 calc RD . .
H29B H 0.3022 0.8460 0.0050 0.347 Uiso 1 1 calc RD . .
H29C H 0.2702 0.7869 0.0138 0.347 Uiso 1 1 calc RD . .
C30 C 0.3830(7) 0.8410(6) -0.1086(9) 0.239(5) Uani 1 1 d DU . .
H30A H 0.4172 0.8638 -0.1148 0.358 Uiso 1 1 calc R . .
H30B H 0.3523 0.8647 -0.0880 0.358 Uiso 1 1 calc RD . .
H30C H 0.3721 0.8253 -0.1611 0.358 Uiso 1 1 calc R . .
C31 C 0.4526(5) 0.7706(8) -0.0487(13) 0.217(5) Uani 1 1 d DU . .
H31A H 0.4555 0.7462 -0.0011 0.326 Uiso 1 1 calc R . .
H31B H 0.4805 0.8009 -0.0447 0.326 Uiso 1 1 calc R . .
H31C H 0.4598 0.7483 -0.0974 0.326 Uiso 1 1 calc R . .
N1 N 0.2570(4) 0.3987(3) -0.1465(5) 0.055(2) Uani 1 1 d U . .
N2 N 0.2155(7) 0.6287(8) 0.2430(11) 0.168(7) Uani 1 1 d U . .
N3 N 0.4049(9) 0.5148(7) 0.2737(11) 0.152(6) Uani 1 1 d U . .
N4 N 0.5069(5) 0.5687(5) -0.0616(8) 0.103(4) Uani 1 1 d U . .
N5 N 0.3936(6) 0.7958(5) -0.0529(8) 0.228(7) Uani 1 1 d DU . .


_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
Ce1 O10 2.275(9) . ?
Ce1 O8 2.305(9) . ?
Ce1 O7 2.320(8) . ?
Ce1 O9 2.324(8) . ?
Ce1 O2 2.428(7) . ?
Ce1 O3 2.432(7) 2_655 ?
Ce1 O4 2.448(7) 2_655 ?
Ce1 O1 2.459(7) . ?
Ce1 C1 2.801(10) . ?
Ce1 C4 2.805(10) 2_655 ?
Si1 O11 1.632(7) 8_656 ?
Si1 O11 1.632(7) 6_566 ?
Si1 O11 1.632(7) 3 ?
Si1 O11 1.632(7) . ?
W1 O16 1.714(7) . ?
W1 O17 1.900(8) . ?
W1 O12 1.909(7) 6_566 ?
W1 O18 1.924(7) . ?
W1 O15 1.933(7) . ?
W1 O11 2.354(6) . ?
W2 O14 1.722(8) . ?
W2 O13 1.905(8) . ?
W2 O12 1.912(7) . ?
W2 O19 1.942(7) . ?
W2 O15 1.944(7) . ?
W2 O11 2.358(7) . ?
W3 O20 1.714(7) . ?
W3 O17 1.910(8) 3 ?
W3 O13 1.911(7) 8_656 ?
W3 O18 1.921(7) . ?
W3 O19 1.924(7) . ?
W3 O11 2.352(6) . ?
O1 C1 1.256(12) . ?
O2 C1 1.287(13) . ?
O3 C4 1.262(12) . ?
O3 Ce1 2.432(7) 4_464 ?
O4 C4 1.274(11) . ?
O4 Ce1 2.448(7) 4_464 ?
O5 C9 1.226(12) . ?
O6 C13 1.195(12) . ?
O7 C24 1.32(2) . ?
O8 C20 1.22(2) . ?
O9 C16 1.270(17) . ?
O10 C28 1.212(17) . ?
O12 W1 1.909(7) 8_656 ?
O13 W3 1.911(7) 6_566 ?
O17 W3 1.910(8) 3 ?
C1 C2 1.506(14) . ?
C2 C3 1.359(13) . ?
C2 C8 1.413(14) . ?
C3 C5 1.419(13) . ?
C4 C5 1.480(13) . ?
C4 Ce1 2.805(10) 4_464 ?
C5 C6 1.354(14) . ?
C6 C7 1.424(13) . ?
C7 C8 1.383(13) . ?
C7 N1 1.457(12) . ?
C9 N1 1.438(13) . ?
C9 C10 1.482(13) . ?
C10 C15 1.376(14) 3 ?
C10 C11 1.389(14) . ?
C11 C12 1.401(14) . ?
C11 C11 1.428(19) 3 ?
C12 C14 1.402(14) . ?
C12 C13 1.483(14) . ?
C13 N1 1.407(13) . ?
C14 C15 1.439(14) . ?
C15 C10 1.376(14) 3 ?
C16 N4 1.273(19) . ?
C16 C17 1.56(2) . ?
C18 N4 1.475(18) . ?
C19 N4 1.559(19) . ?
C20 N3 1.14(2) . ?
C20 C21 1.70(3) . ?
C22 N3 1.55(2) . ?
C23 N3 1.57(3) . ?
C24 N2 1.25(2) . ?
C24 C25 1.59(3) . ?
C26 N2 1.48(2) . ?
C27 N2 1.38(2) . ?
C28 N5 1.257(14) . ?
C28 C29 1.598(14) . ?
C30 N5 1.435(14) . ?
C31 N5 1.524(14) . ?

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
O10 Ce1 O8 154.6(3) . . ?
O10 Ce1 O7 103.1(4) . . ?
O8 Ce1 O7 86.4(3) . . ?
O10 Ce1 O9 90.6(4) . . ?
O8 Ce1 O9 90.3(3) . . ?
O7 Ce1 O9 154.4(3) . . ?
O10 Ce1 O2 74.1(3) . . ?
O8 Ce1 O2 131.0(3) . . ?
O7 Ce1 O2 82.6(3) . . ?
O9 Ce1 O2 80.5(3) . . ?
O10 Ce1 O3 79.7(3) . 2_655 ?
O8 Ce1 O3 80.4(3) . 2_655 ?
O7 Ce1 O3 74.1(3) . 2_655 ?
O9 Ce1 O3 130.3(3) . 2_655 ?
O2 Ce1 O3 139.8(3) . 2_655 ?
O10 Ce1 O4 77.3(3) . 2_655 ?
O8 Ce1 O4 78.2(3) . 2_655 ?
O7 Ce1 O4 127.0(3) . 2_655 ?
O9 Ce1 O4 76.7(2) . 2_655 ?
O2 Ce1 O4 143.0(2) . 2_655 ?
O3 Ce1 O4 53.5(2) 2_655 2_655 ?
O10 Ce1 O1 127.7(3) . . ?
O8 Ce1 O1 77.1(3) . . ?
O7 Ce1 O1 78.0(3) . . ?
O9 Ce1 O1 76.6(3) . . ?
O2 Ce1 O1 53.9(2) . . ?
O3 Ce1 O1 144.9(3) 2_655 . ?
O4 Ce1 O1 143.2(3) 2_655 . ?
O10 Ce1 C1 101.2(3) . . ?
O8 Ce1 C1 103.7(3) . . ?
O7 Ce1 C1 79.5(3) . . ?
O9 Ce1 C1 76.7(3) . . ?
O2 Ce1 C1 27.3(3) . . ?
O3 Ce1 C1 153.0(3) 2_655 . ?
O4 Ce1 C1 153.4(3) 2_655 . ?
O1 Ce1 C1 26.6(3) . . ?
O10 Ce1 C4 79.1(3) . 2_655 ?
O8 Ce1 C4 76.0(3) . 2_655 ?
O7 Ce1 C4 100.1(3) . 2_655 ?
O9 Ce1 C4 103.6(3) . 2_655 ?
O2 Ce1 C4 153.0(3) . 2_655 ?
O3 Ce1 C4 26.7(3) 2_655 2_655 ?
O4 Ce1 C4 27.0(3) 2_655 2_655 ?
O1 Ce1 C4 153.0(3) . 2_655 ?
C1 Ce1 C4 179.5(3) . 2_655 ?
O11 Si1 O11 109.1(4) 8_656 6_566 ?
O11 Si1 O11 109.7(2) 8_656 3 ?
O11 Si1 O11 109.7(2) 6_566 3 ?
O11 Si1 O11 109.7(2) 8_656 . ?
O11 Si1 O11 109.7(2) 6_566 . ?
O11 Si1 O11 109.1(4) 3 . ?
O16 W1 O17 101.7(3) . . ?
O16 W1 O12 101.7(3) . 6_566 ?
O17 W1 O12 85.3(3) . 6_566 ?
O16 W1 O18 100.2(3) . . ?
O17 W1 O18 90.2(3) . . ?
O12 W1 O18 158.0(3) 6_566 . ?
O16 W1 O15 99.2(3) . . ?
O17 W1 O15 159.0(3) . . ?
O12 W1 O15 88.4(3) 6_566 . ?
O18 W1 O15 88.1(3) . . ?
O16 W1 O11 170.5(3) . . ?
O17 W1 O11 85.3(3) . . ?
O12 W1 O11 85.1(3) 6_566 . ?
O18 W1 O11 73.1(2) . . ?
O15 W1 O11 74.1(3) . . ?
O14 W2 O13 101.6(4) . . ?
O14 W2 O12 102.1(3) . . ?
O13 W2 O12 85.0(3) . . ?
O14 W2 O19 99.9(4) . . ?
O13 W2 O19 158.5(3) . . ?
O12 W2 O19 89.2(3) . . ?
O14 W2 O15 100.1(3) . . ?
O13 W2 O15 89.4(3) . . ?
O12 W2 O15 157.8(3) . . ?
O19 W2 O15 88.2(3) . . ?
O14 W2 O11 170.4(3) . . ?
O13 W2 O11 85.9(3) . . ?
O12 W2 O11 84.3(3) . . ?
O19 W2 O11 72.9(3) . . ?
O15 W2 O11 73.9(3) . . ?
O20 W3 O17 102.7(3) . 3 ?
O20 W3 O13 101.3(3) . 8_656 ?
O17 W3 O13 85.0(3) 3 8_656 ?
O20 W3 O18 101.0(3) . . ?
O17 W3 O18 89.3(3) 3 . ?
O13 W3 O18 157.7(3) 8_656 . ?
O20 W3 O19 99.9(3) . . ?
O17 W3 O19 157.4(3) 3 . ?
O13 W3 O19 89.8(3) 8_656 . ?
O18 W3 O19 87.3(3) . . ?
O20 W3 O11 171.0(3) . . ?
O17 W3 O11 84.3(3) 3 . ?
O13 W3 O11 84.8(3) 8_656 . ?
O18 W3 O11 73.2(2) . . ?
O19 W3 O11 73.3(3) . . ?
C1 O1 Ce1 92.1(6) . . ?
C1 O2 Ce1 92.7(6) . . ?
C4 O3 Ce1 93.4(6) . 4_464 ?
C4 O4 Ce1 92.3(6) . 4_464 ?
C24 O7 Ce1 158.4(12) . . ?
C20 O8 Ce1 167.0(12) . . ?
C16 O9 Ce1 157.9(10) . . ?
C28 O10 Ce1 167.7(11) . . ?
Si1 O11 W3 125.2(4) . . ?
Si1 O11 W1 123.5(4) . . ?
W3 O11 W1 91.4(2) . . ?
Si1 O11 W2 123.9(3) . . ?
W3 O11 W2 91.8(2) . . ?
W1 O11 W2 91.3(2) . . ?
W1 O12 W2 151.8(4) 8_656 . ?
W2 O13 W3 151.9(4) . 6_566 ?
W1 O15 W2 120.7(4) . . ?
W1 O17 W3 152.0(3) . 3 ?
W3 O18 W1 122.3(3) . . ?
W3 O19 W2 122.0(4) . . ?
O1 C1 O2 121.3(9) . . ?
O1 C1 C2 119.6(10) . . ?
O2 C1 C2 119.1(9) . . ?
O1 C1 Ce1 61.3(5) . . ?
O2 C1 Ce1 60.0(5) . . ?
C2 C1 Ce1 179.0(8) . . ?
C3 C2 C8 121.1(9) . . ?
C3 C2 C1 119.9(9) . . ?
C8 C2 C1 118.9(9) . . ?
C2 C3 C5 120.1(10) . . ?
O3 C4 O4 120.1(9) . . ?
O3 C4 C5 120.0(9) . . ?
O4 C4 C5 119.8(9) . . ?
O3 C4 Ce1 59.9(5) . 4_464 ?
O4 C4 Ce1 60.7(5) . 4_464 ?
C5 C4 Ce1 174.6(8) . 4_464 ?
C6 C5 C3 119.6(9) . . ?
C6 C5 C4 119.4(9) . . ?
C3 C5 C4 121.0(9) . . ?
C5 C6 C7 120.7(9) . . ?
C8 C7 C6 119.7(9) . . ?
C8 C7 N1 119.5(8) . . ?
C6 C7 N1 120.7(8) . . ?
C7 C8 C2 118.8(9) . . ?
O5 C9 N1 119.7(9) . . ?
O5 C9 C10 124.6(10) . . ?
N1 C9 C10 115.7(9) . . ?
C15 C10 C11 122.8(9) 3 . ?
C15 C10 C9 116.5(9) 3 . ?
C11 C10 C9 120.7(9) . . ?
C10 C11 C12 121.3(9) . . ?
C10 C11 C11 119.0(12) . 3 ?
C12 C11 C11 119.7(12) . 3 ?
C11 C12 C14 119.9(9) . . ?
C11 C12 C13 121.7(9) . . ?
C14 C12 C13 118.3(9) . . ?
O6 C13 N1 121.4(9) . . ?
O6 C13 C12 123.5(10) . . ?
N1 C13 C12 115.0(9) . . ?
C12 C14 C15 120.4(9) . . ?
C10 C15 C14 118.0(9) 3 . ?
O9 C16 N4 121.1(16) . . ?
O9 C16 C17 124.0(15) . . ?
N4 C16 C17 114.7(15) . . ?
N3 C20 O8 132(2) . . ?
N3 C20 C21 114(2) . . ?
O8 C20 C21 114.2(18) . . ?
N2 C24 O7 121.8(19) . . ?
N2 C24 C25 121.7(19) . . ?
O7 C24 C25 116.0(16) . . ?
O10 C28 N5 121.8(13) . . ?
O10 C28 C29 128.0(11) . . ?
N5 C28 C29 108.7(12) . . ?
C13 N1 C9 125.4(8) . . ?
C13 N1 C7 117.0(8) . . ?
C9 N1 C7 117.5(8) . . ?
C24 N2 C27 117.5(18) . . ?
C24 N2 C26 128.5(19) . . ?
C27 N2 C26 110.9(15) . . ?
C20 N3 C22 129(2) . . ?
C20 N3 C23 111.3(19) . . ?
C22 N3 C23 119.3(15) . . ?
C16 N4 C18 125.0(14) . . ?
C16 N4 C19 115.3(13) . . ?
C18 N4 C19 118.2(12) . . ?
C28 N5 C30 125.7(13) . . ?
C28 N5 C31 115.3(12) . . ?
C30 N5 C31 119.0(12) . . ?

_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        27.46
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         3.025
_refine_diff_density_min         -1.650
_refine_diff_density_rms         0.206

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 0.000 352 72 ' '
2 0.500 0.000 0.000 352 72 ' '
3 0.500 0.500 0.500 352 72 ' '
4 1.000 0.000 0.500 352 72 ' '
_platon_squeeze_details          
;
;
