#------------------------------------------------------------------------------
#$Date: 2016-03-05 11:33:50 +0200 (Sat, 05 Mar 2016) $
#$Revision: 177792 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/80/7038032.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7038032
loop_
_publ_author_name
'Kawahara, Ryosuke'
'Niinomi, Kazuma'
'Kondo, Junko N.'
'Hibino, Mitsuhiro'
'Mizuno, Noritaka'
'Uchida, Sayaka'
_publ_section_title
;
 A functional mesoporous ionic crystal based on polyoxometalate.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2805
_journal_page_last               2809
_journal_paper_doi               10.1039/c5dt04556h
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C54 H192 Cr10 N18 O197 P2 W24'
_chemical_formula_sum            'C54 H192 Cr10 N18 O197 P2 W24'
_chemical_formula_weight         9240.42
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2016-01-12 deposited with the CCDC.
2016-01-15 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 103.494(11)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   57.01(2)
_cell_length_b                   24.477(11)
_cell_length_c                   18.797(7)
_cell_measurement_reflns_used    1395
_cell_measurement_temperature    93
_cell_measurement_theta_max      25.35
_cell_measurement_theta_min      1.37
_cell_volume                     25506(17)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.2'
_computing_publication_material  'CrystalStructure 4.2 (Rigaku, 2015)'
_computing_structure_refinement  SHELXL-2014/8
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      93
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku Saturn70'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0683
_diffrn_reflns_laue_measured_fraction_full 0.995
_diffrn_reflns_laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       62
_diffrn_reflns_limit_h_min       -67
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            88037
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.241
_diffrn_reflns_theta_max         25.349
_diffrn_reflns_theta_min         1.664
_exptl_absorpt_coefficient_mu    11.312
_exptl_absorpt_correction_T_max  0.104
_exptl_absorpt_correction_T_min  0.068
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.406
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             17056.00
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Water'
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         4.57
_refine_diff_density_min         -2.09
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     984
_refine_ls_number_reflns         23232
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0847
_refine_ls_R_factor_gt           0.0636
_refine_ls_shift/su_max          0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0853P)²+957.6824P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1650
_refine_ls_wR_factor_ref         0.1841
_reflns_number_gt                17792
_reflns_number_total             23232
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            c5dt04556h2.cif
_cod_data_source_block           130720-2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7038032.cif.
;
_cod_original_cell_volume        25506(18)
_cod_database_code               7038032
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
W1 W 0.69460(2) 0.07097(3) 0.87158(3) 0.02440(14) Uani 1 1 d . . .
W2 W 0.63918(2) 0.01283(3) 0.85359(3) 0.02324(14) Uani 1 1 d . . .
W3 W 0.66865(2) 0.20969(3) 0.86655(3) 0.02766(15) Uani 1 1 d . . .
W4 W 0.70430(2) 0.17102(3) 0.73376(3) 0.02759(15) Uani 1 1 d . . .
W5 W 0.67322(2) -0.01816(2) 0.73157(3) 0.02389(14) Uani 1 1 d . . .
W6 W 0.61323(2) 0.15068(3) 0.85462(3) 0.02691(15) Uani 1 1 d . . .
W7 W 0.68116(2) 0.08245(3) 0.59337(3) 0.02662(15) Uani 1 1 d . . .
W8 W 0.58813(2) 0.05586(3) 0.70351(3) 0.02904(16) Uani 1 1 d . . .
W9 W 0.62083(2) 0.24499(3) 0.72641(3) 0.03315(16) Uani 1 1 d . . .
W10 W 0.65737(2) 0.21074(3) 0.59425(3) 0.03139(16) Uani 1 1 d . . .
W11 W 0.62148(2) 0.01949(3) 0.58187(3) 0.02747(15) Uani 1 1 d . . .
W12 W 0.59739(2) 0.14794(3) 0.57602(3) 0.03286(17) Uani 1 1 d . . .
Cr1 Cr 0.74804(5) -0.14489(10) 0.82583(12) 0.0301(6) Uani 1 1 d . . .
Cr2 Cr 0.74116(4) -0.14237(10) 0.64751(11) 0.0252(5) Uani 1 1 d . . .
Cr3 Cr 0.70731(4) -0.22438(10) 0.72146(12) 0.0279(5) Uani 1 1 d . . .
Cr4 Cr 0.5000 -0.03180(16) 0.7500 0.0317(8) Uani 1 2 d S T P
Cr5 Cr 0.51408(4) 0.08528(12) 0.83689(13) 0.0337(6) Uani 1 1 d . . .
P1 P 0.64669(6) 0.11349(15) 0.72427(17) 0.0192(7) Uani 1 1 d . . .
O1 O 0.71935(17) 0.0642(5) 0.9417(5) 0.033(2) Uani 1 1 d . . .
O2 O 0.67089(18) 0.0320(4) 0.9071(5) 0.030(2) Uani 1 1 d . . .
O3 O 0.68096(17) 0.1385(4) 0.8932(5) 0.028(2) Uani 1 1 d . . .
O4 O 0.70634(17) 0.1131(4) 0.8005(5) 0.029(2) Uani 1 1 d . . .
O5 O 0.69675(17) 0.0082(4) 0.8138(5) 0.028(2) Uani 1 1 d . . .
O6 O 0.62998(18) -0.0301(4) 0.9106(5) 0.029(2) Uani 1 1 d . . .
O7 O 0.6850(2) 0.2497(4) 0.9359(6) 0.037(3) Uani 1 1 d . . .
O8 O 0.73235(19) 0.1993(5) 0.7570(6) 0.037(3) Uani 1 1 d . . .
O9 O 0.68485(18) -0.0802(4) 0.7181(5) 0.031(2) Uani 1 1 d . . .
O10 O 0.65432(17) -0.0371(4) 0.8012(5) 0.027(2) Uani 1 1 d . . .
O11 O 0.68796(18) 0.2088(4) 0.7981(5) 0.028(2) Uani 1 1 d . . .
O12 O 0.62882(18) 0.0837(4) 0.8801(5) 0.030(2) Uani 1 1 d . . .
O13 O 0.64173(18) 0.1888(5) 0.9060(5) 0.033(2) Uani 1 1 d . . .
O14 O 0.70696(18) 0.1220(4) 0.6574(5) 0.029(2) Uani 1 1 d . . .
O15 O 0.68560(18) 0.0278(4) 0.6691(5) 0.030(2) Uani 1 1 d . . .
O16 O 0.61127(18) 0.0165(4) 0.7743(5) 0.029(2) Uani 1 1 d . . .
O17 O 0.59499(19) 0.1563(5) 0.9134(6) 0.036(3) Uani 1 1 d . . .
O18 O 0.64768(19) 0.2612(5) 0.8074(6) 0.036(3) Uani 1 1 d . . .
O19 O 0.6885(2) 0.2201(5) 0.6574(6) 0.038(3) Uani 1 1 d . . .
O20 O 0.6955(2) 0.0559(5) 0.5321(5) 0.040(3) Uani 1 1 d . . .
O21 O 0.64350(17) -0.0165(4) 0.6593(5) 0.027(2) Uani 1 1 d . . .
O22 O 0.59328(18) 0.1126(5) 0.7726(5) 0.033(2) Uani 1 1 d . . .
O23 O 0.60544(19) 0.2163(5) 0.7976(6) 0.038(3) Uani 1 1 d . . .
O24 O 0.64982(17) 0.0550(4) 0.5646(5) 0.028(2) Uani 1 1 d . . .
O25 O 0.67128(19) 0.1511(4) 0.5511(5) 0.032(2) Uani 1 1 d . . .
O26 O 0.59615(18) 0.0081(5) 0.6305(5) 0.035(3) Uani 1 1 d . . .
O27 O 0.6436(2) 0.2439(5) 0.6656(6) 0.040(3) Uani 1 1 d . . .
O28 O 0.56126(18) 0.0278(5) 0.7121(5) 0.037(3) Uani 1 1 d . . .
O29 O 0.6078(2) 0.3084(5) 0.7103(6) 0.045(3) Uani 1 1 d . . .
O30 O 0.6567(2) 0.2600(5) 0.5322(6) 0.045(3) Uani 1 1 d . . .
O31 O 0.61499(19) -0.0299(5) 0.5186(6) 0.035(3) Uani 1 1 d . . .
O32 O 0.57770(18) 0.1075(5) 0.6275(5) 0.036(3) Uani 1 1 d . . .
O33 O 0.60140(19) 0.2008(5) 0.6545(6) 0.041(3) Uani 1 1 d . . .
O34 O 0.62653(19) 0.1765(5) 0.5611(5) 0.039(3) Uani 1 1 d . . .
O35 O 0.60268(18) 0.0805(5) 0.5340(5) 0.034(3) Uani 1 1 d . . .
O36 O 0.5765(2) 0.1779(5) 0.5076(6) 0.043(3) Uani 1 1 d . . .
O37 O 0.65847(16) 0.0656(4) 0.7737(5) 0.023(2) Uani 1 1 d . . .
O38 O 0.62358(17) 0.0929(4) 0.6714(5) 0.026(2) Uani 1 1 d . . .
O39 O 0.64036(17) 0.1591(4) 0.7719(5) 0.026(2) Uani 1 1 d . . .
O40 O 0.66467(17) 0.1347(4) 0.6813(5) 0.025(2) Uani 1 1 d . . .
O51 O 0.78064(19) -0.1469(5) 0.8083(5) 0.037(3) Uani 1 1 d . . .
O52 O 0.77617(19) -0.1510(4) 0.6869(6) 0.035(3) Uani 1 1 d . . .
O53 O 0.74594(19) -0.0671(4) 0.8019(5) 0.033(2) Uani 1 1 d . . .
O54 O 0.74296(18) -0.0658(4) 0.6810(5) 0.030(2) Uani 1 1 d . . .
O55 O 0.74186(18) -0.2140(4) 0.5999(5) 0.031(2) Uani 1 1 d . . .
O56 O 0.71937(17) -0.2703(4) 0.6520(5) 0.026(2) Uani 1 1 d . . .
O57 O 0.70832(18) -0.1277(5) 0.5932(5) 0.034(3) Uani 1 1 d . . .
O58 O 0.68540(17) -0.1857(4) 0.6407(5) 0.029(2) Uani 1 1 d . . .
O59 O 0.72417(19) -0.2724(5) 0.8026(6) 0.035(3) Uani 1 1 d . . .
O60 O 0.75375(19) -0.2186(4) 0.8673(5) 0.033(3) Uani 1 1 d . . .
O61 O 0.69035(19) -0.1902(5) 0.7896(6) 0.037(3) Uani 1 1 d . . .
O62 O 0.7185(2) -0.1356(5) 0.8602(5) 0.039(3) Uani 1 1 d . . .
O63 O 0.7649(2) -0.1193(5) 0.9288(6) 0.052(3) Uani 1 1 d . . .
O64 O 0.75123(18) -0.1123(4) 0.5588(5) 0.030(2) Uani 1 1 d . . .
O65 O 0.6809(2) -0.2811(5) 0.7094(6) 0.045(3) Uani 1 1 d . . .
O66 O 0.73213(17) -0.1713(4) 0.7308(5) 0.023(2) Uani 1 1 d . . .
O67 O 0.53302(19) -0.0399(5) 0.8079(6) 0.038(3) Uani 1 1 d . . .
O68 O 0.54326(19) 0.0407(5) 0.8645(6) 0.040(3) Uani 1 1 d . . .
O69 O 0.51337(19) -0.0377(5) 0.6623(5) 0.036(3) Uani 1 1 d . . .
O70 O 0.53292(18) 0.1362(5) 0.7903(6) 0.043(3) Uani 1 1 d . . .
O71 O 0.48811(19) 0.1393(5) 0.8278(6) 0.036(3) Uani 1 1 d . . .
O72 O 0.49577(19) 0.0412(5) 0.8948(5) 0.036(3) Uani 1 1 d . . .
O73 O 0.5000 -0.1155(8) 0.7500 0.060(5) Uani 1 2 d S T P
O74 O 0.5292(2) 0.1258(5) 0.9310(6) 0.045(3) Uani 1 1 d . . .
O75 O 0.5000 0.0461(6) 0.7500 0.029(3) Uani 1 2 d S T P
O201 O 0.7875(4) -0.0443(9) 0.5843(12) 0.111(7) Uiso 1 1 d . . .
O202 O 0.6898(5) 0.3562(11) 0.5051(15) 0.152(9) Uiso 1 1 d . . .
O203 O 0.6355(4) -0.2479(9) 0.7017(11) 0.107(6) Uiso 1 1 d . . .
O204 O 0.5274(4) 0.1577(9) 0.3996(12) 0.119(7) Uiso 1 1 d . . .
O205 O 0.5711(2) 0.1013(6) 1.0192(8) 0.060(4) Uiso 1 1 d . . .
O206 O 0.5121(4) 0.1709(9) 1.0381(12) 0.112(7) Uiso 1 1 d . . .
O207 O 0.8060(4) -0.0323(9) 0.7443(12) 0.111(7) Uiso 1 1 d . . .
N1 N 0.8424(4) -0.1259(10) 0.8836(13) 0.092(7) Uiso 1 1 d . . .
N2A N 0.7688(7) 0.0712(15) 0.672(2) 0.063(9) Uiso 0.5 1 d . . P
N2B N 0.7568(7) 0.0597(16) 0.625(2) 0.071(10) Uiso 0.5 1 d . . P
N3 N 0.7290(3) -0.4017(7) 0.6102(9) 0.059(4) Uiso 1 1 d . . .
N4 N 0.6273(4) -0.1544(9) 0.5864(11) 0.077(6) Uiso 1 1 d . . .
N5 N 0.7844(3) -0.2776(7) 1.0156(9) 0.054(4) Uiso 1 1 d . . .
N6 N 0.5819(4) -0.1234(12) 0.8419(15) 0.113(10) Uani 1 1 d . . .
N7A N 0.6333(9) -0.157(2) 0.804(3) 0.094(14) Uiso 0.5 1 d . . P
N7B N 0.6416(9) -0.188(2) 0.871(3) 0.106(16) Uiso 0.5 1 d . . P
N8 N 0.4641(4) 0.2314(10) 0.9253(12) 0.103(9) Uani 1 1 d . . .
N9 N 0.5380(3) 0.0613(9) 0.4827(8) 0.063(5) Uani 1 1 d . . .
C1 C 0.7883(3) -0.1510(6) 0.7515(8) 0.029(3) Uiso 1 1 d . . .
C2 C 0.8159(3) -0.1589(7) 0.7585(9) 0.037(4) Uiso 1 1 d . . .
H2A H 0.8192 -0.1982 0.7528 0.044 Uiso 1 1 calc R U .
H2B H 0.8207 -0.1388 0.7186 0.044 Uiso 1 1 calc R U .
C3 C 0.8298(4) -0.1404(9) 0.8266(12) 0.061(6) Uiso 1 1 d . . .
C4 C 0.7445(3) -0.0425(7) 0.7423(9) 0.034(4) Uiso 1 1 d . . .
C5 C 0.7437(3) 0.0198(8) 0.7449(10) 0.048(5) Uiso 1 1 d . . .
C6A C 0.7587(7) 0.0481(17) 0.706(2) 0.044(9) Uiso 0.5 1 d . . P
C6B C 0.7517(7) 0.0398(16) 0.677(2) 0.039(8) Uiso 0.5 1 d . . P
C7 C 0.7334(3) -0.2598(6) 0.6112(8) 0.030(3) Uiso 1 1 d . . .
C8 C 0.7413(3) -0.3061(7) 0.5686(9) 0.040(4) Uiso 1 1 d . . .
H8A H 0.7343 -0.3005 0.5158 0.048 Uiso 1 1 calc R U .
H8B H 0.7590 -0.3054 0.5764 0.048 Uiso 1 1 calc R U .
C9 C 0.7338(3) -0.3601(7) 0.5902(9) 0.040(4) Uiso 1 1 d . . .
C10 C 0.6883(3) -0.1462(6) 0.6012(8) 0.026(3) Uiso 1 1 d . . .
C11 C 0.6659(3) -0.1193(6) 0.5556(8) 0.030(3) Uiso 1 1 d . . .
H11A H 0.6673 -0.0793 0.5629 0.035 Uiso 1 1 calc R U .
H11B H 0.6650 -0.1268 0.5034 0.035 Uiso 1 1 calc R U .
C12 C 0.6446(3) -0.1363(8) 0.5717(10) 0.048(5) Uiso 1 1 d . . .
C13 C 0.7419(3) -0.2625(7) 0.8534(9) 0.033(4) Uiso 1 1 d . . .
C14 C 0.7511(3) -0.3088(7) 0.9078(9) 0.039(4) Uiso 1 1 d . . .
H14A H 0.7374 -0.3230 0.9265 0.047 Uiso 1 1 calc R U .
H14B H 0.7571 -0.3389 0.8819 0.047 Uiso 1 1 calc R U .
C15 C 0.7695(3) -0.2920(7) 0.9673(9) 0.039(4) Uiso 1 1 d . . .
C16 C 0.6977(3) -0.1548(7) 0.8408(9) 0.036(4) Uiso 1 1 d . . .
C17 C 0.6802(3) -0.1375(7) 0.8850(9) 0.040(4) Uiso 1 1 d . . .
C18A C 0.6611(11) -0.162(3) 0.872(3) 0.088(16) Uiso 0.5 1 d . . P
C18B C 0.6520(7) -0.1515(16) 0.835(2) 0.044(9) Uiso 0.5 1 d . . P
C19 C 0.5478(3) -0.0065(8) 0.8474(8) 0.038(4) Uani 1 1 d . . .
C20 C 0.5734(3) -0.0271(8) 0.8792(8) 0.039(4) Uani 1 1 d . . .
H20A H 0.5849 -0.0023 0.8630 0.047 Uiso 1 1 calc R U .
H20B H 0.5767 -0.0248 0.9332 0.047 Uiso 1 1 calc R U .
C21 C 0.5782(4) -0.0816(12) 0.8597(12) 0.064(6) Uani 1 1 d . . .
C22 C 0.5146(3) -0.0030(9) 0.6154(8) 0.041(4) Uani 1 1 d . . .
C23 C 0.5305(3) -0.0184(9) 0.5646(10) 0.053(6) Uani 1 1 d . . .
H23A H 0.5462 -0.0316 0.5939 0.063 Uiso 1 1 calc R U .
H23B H 0.5228 -0.0487 0.5327 0.063 Uiso 1 1 calc R U .
C24 C 0.5346(3) 0.0278(11) 0.5185(10) 0.055(6) Uani 1 1 d . . .
C25 C 0.4711(3) 0.1545(7) 0.7764(9) 0.038(4) Uani 1 1 d . . .
C26 C 0.4538(3) 0.1950(9) 0.7909(11) 0.053(5) Uani 1 1 d . . .
H26A H 0.4533 0.2264 0.7574 0.064 Uiso 1 1 calc R U .
H26B H 0.4375 0.1785 0.7803 0.064 Uiso 1 1 calc R U .
C27 C 0.4598(3) 0.2145(8) 0.8659(14) 0.063(6) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
W W -0.8490 6.8722
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cr Cr 0.3209 0.6236
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 W1 O2 102.1(5) . .
O1 W1 O5 102.2(5) . .
O2 W1 O5 86.6(4) . .
O1 W1 O3 103.0(5) . .
O2 W1 O3 90.1(4) . .
O5 W1 O3 154.7(4) . .
O1 W1 O4 103.3(5) . .
O2 W1 O4 154.7(4) . .
O5 W1 O4 87.5(4) . .
O3 W1 O4 84.8(4) . .
O1 W1 O37 171.1(5) . .
O2 W1 O37 72.0(4) . .
O5 W1 O37 71.3(4) . .
O3 W1 O37 83.8(4) . .
O4 W1 O37 82.8(4) . .
O6 W2 O10 100.2(5) . .
O6 W2 O2 102.6(4) . .
O10 W2 O2 86.7(4) . .
O6 W2 O16 101.6(5) . .
O10 W2 O16 91.3(4) . .
O2 W2 O16 155.8(4) . .
O6 W2 O12 103.8(5) . .
O10 W2 O12 156.0(4) . .
O2 W2 O12 87.3(4) . .
O16 W2 O12 84.8(4) . .
O6 W2 O37 170.4(4) . .
O10 W2 O37 72.3(4) . .
O2 W2 O37 71.7(4) . .
O16 W2 O37 84.7(4) . .
O12 W2 O37 83.8(4) . .
O7 W3 O11 103.0(5) . .
O7 W3 O3 102.7(5) . .
O11 W3 O3 86.0(4) . .
O7 W3 O18 102.8(5) . .
O11 W3 O18 89.8(4) . .
O3 W3 O18 154.4(4) . .
O7 W3 O13 101.6(5) . .
O11 W3 O13 155.3(4) . .
O3 W3 O13 86.2(4) . .
O18 W3 O13 87.3(4) . .
O7 W3 O39 171.9(4) . .
O11 W3 O39 83.5(4) . .
O3 W3 O39 82.4(4) . .
O18 W3 O39 72.1(4) . .
O13 W3 O39 72.3(4) . .
O8 W4 O4 103.1(5) . .
O8 W4 O14 102.4(5) . .
O4 W4 O14 91.4(4) . .
O8 W4 O11 101.9(5) . .
O4 W4 O11 84.6(4) . .
O14 W4 O11 155.6(4) . .
O8 W4 O19 100.7(5) . .
O4 W4 O19 155.9(4) . .
O14 W4 O19 86.4(5) . .
O11 W4 O19 87.6(4) . .
O8 W4 O40 171.0(4) . .
O4 W4 O40 84.3(4) . .
O14 W4 O40 72.0(4) . .
O11 W4 O40 83.7(4) . .
O19 W4 O40 72.2(4) . .
O9 W5 O15 103.0(5) . .
O9 W5 O5 101.4(5) . .
O15 W5 O5 90.4(4) . .
O9 W5 O21 103.0(5) . .
O15 W5 O21 86.7(4) . .
O5 W5 O21 155.4(4) . .
O9 W5 O10 100.7(5) . .
O15 W5 O10 156.3(4) . .
O5 W5 O10 86.0(4) . .
O21 W5 O10 86.8(4) . .
O9 W5 O37 169.7(4) . .
O15 W5 O37 84.6(4) . .
O5 W5 O37 71.4(4) . .
O21 W5 O37 84.0(4) . .
O10 W5 O37 72.0(4) . .
O17 W6 O12 103.4(5) . .
O17 W6 O23 101.5(5) . .
O12 W6 O23 155.1(4) . .
O17 W6 O13 102.0(5) . .
O12 W6 O13 90.1(4) . .
O23 W6 O13 86.1(5) . .
O17 W6 O22 102.9(5) . .
O12 W6 O22 86.4(4) . .
O23 W6 O22 86.7(5) . .
O13 W6 O22 154.9(4) . .
O17 W6 O39 170.4(5) . .
O12 W6 O39 84.5(4) . .
O23 W6 O39 70.9(4) . .
O13 W6 O39 72.1(4) . .
O22 W6 O39 82.8(4) . .
O20 W7 O24 104.3(5) . .
O20 W7 O25 101.6(5) . .
O24 W7 O25 91.5(4) . .
O20 W7 O15 103.6(5) . .
O24 W7 O15 85.2(4) . .
O25 W7 O15 154.7(4) . .
O20 W7 O14 101.4(5) . .
O24 W7 O14 154.2(4) . .
O25 W7 O14 85.7(4) . .
O15 W7 O14 86.4(4) . .
O20 W7 O40 170.2(5) . .
O24 W7 O40 83.8(4) . .
O25 W7 O40 72.2(4) . .
O15 W7 O40 82.4(4) . .
O14 W7 O40 70.9(4) . .
O28 W8 O22 103.2(5) . .
O28 W8 O32 101.9(5) . .
O22 W8 O32 89.9(5) . .
O28 W8 O16 102.7(5) . .
O22 W8 O16 85.4(4) . .
O32 W8 O16 155.4(4) . .
O28 W8 O26 100.9(5) . .
O22 W8 O26 155.8(4) . .
O32 W8 O26 87.3(5) . .
O16 W8 O26 87.1(4) . .
O28 W8 O38 171.2(4) . .
O22 W8 O38 83.7(4) . .
O32 W8 O38 72.3(4) . .
O16 W8 O38 83.2(4) . .
O26 W8 O38 72.6(4) . .
O29 W9 O33 103.6(5) . .
O29 W9 O23 101.9(5) . .
O33 W9 O23 90.2(5) . .
O29 W9 O27 103.5(5) . .
O33 W9 O27 86.0(5) . .
O23 W9 O27 154.5(5) . .
O29 W9 O18 100.7(5) . .
O33 W9 O18 155.7(5) . .
O23 W9 O18 86.1(4) . .
O27 W9 O18 87.2(5) . .
O29 W9 O39 170.0(4) . .
O33 W9 O39 84.3(4) . .
O23 W9 O39 71.5(4) . .
O27 W9 O39 83.1(4) . .
O18 W9 O39 71.8(4) . .
O30 W10 O27 103.9(5) . .
O30 W10 O19 102.5(5) . .
O27 W10 O19 89.3(5) . .
O30 W10 O34 102.6(5) . .
O27 W10 O34 85.2(5) . .
O19 W10 O34 154.9(5) . .
O30 W10 O25 101.4(5) . .
O27 W10 O25 154.7(4) . .
O19 W10 O25 86.5(5) . .
O34 W10 O25 88.2(5) . .
O30 W10 O40 170.8(5) . .
O27 W10 O40 83.5(4) . .
O19 W10 O40 71.7(4) . .
O34 W10 O40 83.4(4) . .
O25 W10 O40 71.5(4) . .
O31 W11 O26 99.7(5) . .
O31 W11 O21 101.9(5) . .
O26 W11 O21 90.2(4) . .
O31 W11 O24 105.1(4) . .
O26 W11 O24 155.2(4) . .
O21 W11 O24 84.8(4) . .
O31 W11 O35 102.7(5) . .
O26 W11 O35 86.3(5) . .
O21 W11 O35 155.4(4) . .
O24 W11 O35 88.2(4) . .
O31 W11 O38 170.3(4) . .
O26 W11 O38 72.4(4) . .
O21 W11 O38 84.0(4) . .
O24 W11 O38 82.9(4) . .
O35 W11 O38 71.7(4) . .
O36 W12 O34 102.3(5) . .
O36 W12 O35 102.3(5) . .
O34 W12 O35 91.7(5) . .
O36 W12 O32 102.5(5) . .
O34 W12 O32 155.1(4) . .
O35 W12 O32 85.9(5) . .
O36 W12 O33 103.0(5) . .
O34 W12 O33 85.1(5) . .
O35 W12 O33 154.6(5) . .
O32 W12 O33 86.5(5) . .
O36 W12 O38 171.6(5) . .
O34 W12 O38 84.5(4) . .
O35 W12 O38 72.3(4) . .
O32 W12 O38 71.1(4) . .
O33 W12 O38 82.3(4) . .
O66 Cr1 O62 95.2(4) . .
O66 Cr1 O53 97.1(4) . .
O62 Cr1 O53 87.2(5) . .
O66 Cr1 O51 95.5(4) . .
O62 Cr1 O51 169.1(5) . .
O53 Cr1 O51 89.8(5) . .
O66 Cr1 O60 93.4(4) . .
O62 Cr1 O60 92.9(4) . .
O53 Cr1 O60 169.5(4) . .
O51 Cr1 O60 88.1(5) . .
O66 Cr1 O63 178.0(5) . .
O62 Cr1 O63 84.4(5) . .
O53 Cr1 O63 84.8(5) . .
O51 Cr1 O63 85.0(5) . .
O60 Cr1 O63 84.7(5) . .
O66 Cr2 O57 95.1(4) . .
O66 Cr2 O52 95.5(4) . .
O57 Cr2 O52 169.4(4) . .
O66 Cr2 O54 95.5(4) . .
O57 Cr2 O54 87.9(5) . .
O52 Cr2 O54 90.5(4) . .
O66 Cr2 O55 94.6(4) . .
O57 Cr2 O55 92.6(5) . .
O52 Cr2 O55 87.1(5) . .
O54 Cr2 O55 169.8(4) . .
O66 Cr2 O64 179.1(4) . .
O57 Cr2 O64 85.6(4) . .
O52 Cr2 O64 83.8(4) . .
O54 Cr2 O64 85.0(4) . .
O55 Cr2 O64 84.9(4) . .
O66 Cr3 O61 96.7(4) . .
O66 Cr3 O56 94.9(4) . .
O61 Cr3 O56 168.4(5) . .
O66 Cr3 O58 93.9(4) . .
O61 Cr3 O58 88.7(4) . .
O56 Cr3 O58 91.2(4) . .
O66 Cr3 O59 96.7(4) . .
O61 Cr3 O59 88.6(4) . .
O56 Cr3 O59 89.4(4) . .
O58 Cr3 O59 169.3(4) . .
O66 Cr3 O65 178.9(5) . .
O61 Cr3 O65 84.2(5) . .
O56 Cr3 O65 84.2(5) . .
O58 Cr3 O65 85.5(5) . .
O59 Cr3 O65 83.9(5) . .
O75 Cr4 O67 95.8(4) . 2_656
O75 Cr4 O67 95.8(4) . .
O67 Cr4 O67 168.3(8) 2_656 .
O75 Cr4 O69 94.2(4) . 2_656
O67 Cr4 O69 87.0(4) 2_656 2_656
O67 Cr4 O69 92.1(4) . 2_656
O75 Cr4 O69 94.2(4) . .
O67 Cr4 O69 92.1(4) 2_656 .
O67 Cr4 O69 87.0(4) . .
O69 Cr4 O69 171.6(7) 2_656 .
O75 Cr4 O73 180.0 . .
O67 Cr4 O73 84.2(4) 2_656 .
O67 Cr4 O73 84.2(4) . .
O69 Cr4 O73 85.8(4) 2_656 .
O69 Cr4 O73 85.8(4) . .
O75 Cr5 O68 96.3(5) . .
O75 Cr5 O71 96.1(4) . .
O68 Cr5 O71 167.6(5) . .
O75 Cr5 O70 95.8(5) . .
O68 Cr5 O70 87.3(5) . .
O71 Cr5 O70 90.8(5) . .
O75 Cr5 O72 91.5(4) . .
O68 Cr5 O72 94.3(5) . .
O71 Cr5 O72 86.1(5) . .
O70 Cr5 O72 172.3(5) . .
O75 Cr5 O74 178.9(6) . .
O68 Cr5 O74 83.2(5) . .
O71 Cr5 O74 84.5(5) . .
O70 Cr5 O74 85.1(5) . .
O72 Cr5 O74 87.6(5) . .
O39 P1 O40 109.8(6) . .
O39 P1 O38 109.5(6) . .
O40 P1 O38 110.3(5) . .
O39 P1 O37 109.4(5) . .
O40 P1 O37 108.8(5) . .
O38 P1 O37 109.0(6) . .
W1 O2 W2 127.0(5) . .
W3 O3 W1 151.7(5) . .
W4 O4 W1 152.8(6) . .
W1 O5 W5 127.5(5) . .
W2 O10 W5 126.1(5) . .
W3 O11 W4 151.9(6) . .
W6 O12 W2 151.0(5) . .
W3 O13 W6 126.3(5) . .
W4 O14 W7 127.1(5) . .
W5 O15 W7 150.9(6) . .
W8 O16 W2 152.1(6) . .
W3 O18 W9 126.7(6) . .
W10 O19 W4 126.6(6) . .
W11 O21 W5 150.7(6) . .
W8 O22 W6 151.5(6) . .
W9 O23 W6 128.1(6) . .
W7 O24 W11 153.7(5) . .
W7 O25 W10 127.5(5) . .
W11 O26 W8 125.7(6) . .
W10 O27 W9 151.7(7) . .
W8 O32 W12 127.3(5) . .
W9 O33 W12 151.5(6) . .
W12 O34 W10 152.7(6) . .
W12 O35 W11 127.4(5) . .
P1 O37 W5 125.5(5) . .
P1 O37 W1 125.9(5) . .
W5 O37 W1 89.8(3) . .
P1 O37 W2 125.3(5) . .
W5 O37 W2 89.7(3) . .
W1 O37 W2 89.2(3) . .
P1 O38 W8 127.0(5) . .
P1 O38 W11 125.6(5) . .
W8 O38 W11 89.2(3) . .
P1 O38 W12 125.2(6) . .
W8 O38 W12 89.2(3) . .
W11 O38 W12 88.6(3) . .
P1 O39 W9 125.2(5) . .
P1 O39 W3 126.3(5) . .
W9 O39 W3 89.4(3) . .
P1 O39 W6 125.6(6) . .
W9 O39 W6 89.5(3) . .
W3 O39 W6 89.3(3) . .
P1 O40 W4 125.8(5) . .
P1 O40 W7 126.0(6) . .
W4 O40 W7 89.9(3) . .
P1 O40 W10 125.3(5) . .
W4 O40 W10 89.4(3) . .
W7 O40 W10 88.8(3) . .
C1 O51 Cr1 132.8(10) . .
C1 O52 Cr2 130.3(10) . .
C4 O53 Cr1 131.3(10) . .
C4 O54 Cr2 134.8(10) . .
C7 O55 Cr2 131.9(9) . .
C7 O56 Cr3 131.2(10) . .
C10 O57 Cr2 130.9(10) . .
C10 O58 Cr3 133.0(9) . .
C13 O59 Cr3 129.4(11) . .
C13 O60 Cr1 131.9(10) . .
C16 O61 Cr3 130.5(11) . .
C16 O62 Cr1 133.9(11) . .
Cr2 O66 Cr3 121.3(5) . .
Cr2 O66 Cr1 118.9(5) . .
Cr3 O66 Cr1 119.8(5) . .
C19 O67 Cr4 132.6(12) . .
C19 O68 Cr5 131.8(11) . .
C22 O69 Cr4 129.9(12) . .
C25 O70 Cr5 130.7(11) 2_656 .
C25 O71 Cr5 134.3(11) . .
C22 O72 Cr5 133.5(11) 2_656 .
Cr5 O75 Cr5 119.5(8) . 2_656
Cr5 O75 Cr4 120.2(4) . .
Cr5 O75 Cr4 120.2(4) 2_656 .
N2B N2A C6A 92(4) . .
N2B N2A C6B 61(3) . .
C6A N2A C6B 31(2) . .
N2A N2B C6B 69(4) . .
N2A N2B C6A 46(3) . .
C6B N2B C6A 23(2) . .
C18B N7A N7B 62(4) . .
C18B N7A C18A 17(3) . .
N7B N7A C18A 45(3) . .
C18A N7B C18B 36(3) . .
C18A N7B N7A 82(5) . .
C18B N7B N7A 46(3) . .
O51 C1 O52 127.4(14) . .
O51 C1 C2 119.0(13) . .
O52 C1 C2 113.6(13) . .
C3 C2 C1 112.3(15) . .
C3 C2 H2A 109.1 . .
C1 C2 H2A 109.1 . .
C3 C2 H2B 109.1 . .
C1 C2 H2B 109.1 . .
H2A C2 H2B 107.9 . .
N1 C3 C2 177(3) . .
O53 C4 O54 124.6(15) . .
O53 C4 C5 116.5(14) . .
O54 C4 C5 118.8(15) . .
C6A C5 C4 116(2) . .
C6A C5 C6B 24.6(18) . .
C4 C5 C6B 105.9(19) . .
C6B C6A N2A 87(6) . .
C6B C6A C5 88(6) . .
N2A C6A C5 174(5) . .
C6B C6A N2B 46(5) . .
N2A C6A N2B 42(3) . .
C5 C6A N2B 134(4) . .
C6A C6B N2B 112(7) . .
C6A C6B N2A 62(5) . .
N2B C6B N2A 49(3) . .
C6A C6B C5 67(6) . .
N2B C6B C5 174(4) . .
N2A C6B C5 129(4) . .
O55 C7 O56 127.5(14) . .
O55 C7 C8 114.0(13) . .
O56 C7 C8 118.4(14) . .
C9 C8 C7 112.7(14) . .
C9 C8 H8A 109.1 . .
C7 C8 H8A 109.1 . .
C9 C8 H8B 109.1 . .
C7 C8 H8B 109.1 . .
H8A C8 H8B 107.8 . .
N3 C9 C8 176(2) . .
O58 C10 O57 126.1(13) . .
O58 C10 C11 117.6(13) . .
O57 C10 C11 116.2(13) . .
C12 C11 C10 114.4(14) . .
C12 C11 H11A 108.7 . .
C10 C11 H11A 108.7 . .
C12 C11 H11B 108.7 . .
C10 C11 H11B 108.7 . .
H11A C11 H11B 107.6 . .
N4 C12 C11 175(2) . .
O59 C13 O60 128.8(15) . .
O59 C13 C14 117.1(14) . .
O60 C13 C14 114.1(13) . .
C15 C14 C13 112.9(15) . .
C15 C14 H14A 109.0 . .
C13 C14 H14A 109.0 . .
C15 C14 H14B 109.0 . .
C13 C14 H14B 109.0 . .
H14A C14 H14B 107.8 . .
N5 C15 C14 179(2) . .
O62 C16 O61 126.2(15) . .
O62 C16 C17 116.2(15) . .
O61 C16 C17 117.5(15) . .
C18A C17 C16 116(3) . .
C18A C17 C18B 26(3) . .
C16 C17 C18B 107.8(18) . .
C18B C18A C17 112(7) . .
C18B C18A N7B 76(6) . .
C17 C18A N7B 170(7) . .
C18B C18A N7A 23(5) . .
C17 C18A N7A 135(5) . .
N7B C18A N7A 53(4) . .
C18A C18B N7A 140(8) . .
C18A C18B N7B 68(6) . .
N7A C18B N7B 72(4) . .
C18A C18B C17 42(5) . .
N7A C18B C17 175(4) . .
N7B C18B C17 110(4) . .
O68 C19 O67 126.5(15) . .
O68 C19 C20 116.4(16) . .
O67 C19 C20 117.1(17) . .
C21 C20 C19 115.5(16) . .
C21 C20 H20A 108.4 . .
C19 C20 H20A 108.4 . .
C21 C20 H20B 108.4 . .
C19 C20 H20B 108.4 . .
H20A C20 H20B 107.5 . .
N6 C21 C20 177(3) . .
O72 C22 O69 127.5(15) 2_656 .
O72 C22 C23 117.5(17) 2_656 .
O69 C22 C23 115.0(18) . .
C24 C23 C22 112.5(18) . .
C24 C23 H23A 109.1 . .
C22 C23 H23A 109.1 . .
C24 C23 H23B 109.1 . .
C22 C23 H23B 109.1 . .
H23A C23 H23B 107.8 . .
N9 C24 C23 178(2) . .
O71 C25 O70 124.8(16) . 2_656
O71 C25 C26 119.3(15) . .
O70 C25 C26 115.9(15) 2_656 .
C27 C26 C25 112.6(16) . .
C27 C26 H26A 109.1 . .
C25 C26 H26A 109.1 . .
C27 C26 H26B 109.1 . .
C25 C26 H26B 109.1 . .
H26A C26 H26B 107.8 . .
N8 C27 C26 178(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O1 1.699(10) .
W1 O2 1.898(10) .
W1 O5 1.903(11) .
W1 O3 1.911(10) .
W1 O4 1.926(10) .
W1 O37 2.425(9) .
W2 O6 1.669(9) .
W2 O10 1.898(10) .
W2 O2 1.911(10) .
W2 O16 1.912(10) .
W2 O12 1.934(10) .
W2 O37 2.430(9) .
W3 O7 1.721(10) .
W3 O11 1.879(10) .
W3 O3 1.901(10) .
W3 O18 1.907(11) .
W3 O13 1.923(10) .
W3 O39 2.441(9) .
W4 O8 1.703(10) .
W4 O4 1.880(10) .
W4 O14 1.904(10) .
W4 O11 1.925(10) .
W4 O19 1.926(11) .
W4 O40 2.414(10) .
W5 O9 1.700(10) .
W5 O15 1.878(10) .
W5 O5 1.907(10) .
W5 O21 1.908(10) .
W5 O10 1.936(9) .
W5 O37 2.417(10) .
W6 O17 1.690(10) .
W6 O12 1.874(10) .
W6 O23 1.924(12) .
W6 O13 1.926(10) .
W6 O22 1.929(10) .
W6 O39 2.445(9) .
W7 O20 1.692(10) .
W7 O24 1.866(9) .
W7 O25 1.886(11) .
W7 O15 1.927(10) .
W7 O14 1.929(10) .
W7 O40 2.444(9) .
W8 O28 1.720(10) .
W8 O22 1.877(11) .
W8 O32 1.897(11) .
W8 O16 1.903(10) .
W8 O26 1.937(10) .
W8 O38 2.416(10) .
W9 O29 1.719(12) .
W9 O33 1.879(11) .
W9 O23 1.898(11) .
W9 O27 1.918(11) .
W9 O18 1.931(10) .
W9 O39 2.437(10) .
W10 O30 1.673(11) .
W10 O27 1.889(11) .
W10 O19 1.904(11) .
W10 O34 1.916(11) .
W10 O25 1.929(11) .
W10 O40 2.449(9) .
W11 O31 1.675(11) .
W11 O26 1.901(10) .
W11 O21 1.902(10) .
W11 O24 1.929(9) .
W11 O35 1.933(11) .
W11 O38 2.447(10) .
W12 O36 1.702(10) .
W12 O34 1.883(11) .
W12 O35 1.885(11) .
W12 O32 1.919(11) .
W12 O33 1.934(12) .
W12 O38 2.452(9) .
Cr1 O66 1.917(10) .
Cr1 O62 1.951(11) .
Cr1 O53 1.952(11) .
Cr1 O51 1.962(11) .
Cr1 O60 1.963(11) .
Cr1 O63 2.048(11) .
Cr2 O66 1.896(9) .
Cr2 O57 1.945(10) .
Cr2 O52 1.972(11) .
Cr2 O54 1.972(11) .
Cr2 O55 1.973(10) .
Cr2 O64 2.024(10) .
Cr3 O66 1.899(10) .
Cr3 O61 1.963(11) .
Cr3 O56 1.964(10) .
Cr3 O58 1.968(10) .
Cr3 O59 1.986(11) .
Cr3 O65 2.022(11) .
Cr4 O75 1.908(16) .
Cr4 O67 1.952(11) 2_656
Cr4 O67 1.952(11) .
Cr4 O69 1.976(10) 2_656
Cr4 O69 1.976(10) .
Cr4 O73 2.048(19) .
Cr5 O75 1.902(8) .
Cr5 O68 1.956(11) .
Cr5 O71 1.963(11) .
Cr5 O70 1.978(11) .
Cr5 O72 1.992(12) .
Cr5 O74 2.034(11) .
P1 O39 1.526(10) .
P1 O40 1.536(9) .
P1 O38 1.538(10) .
P1 O37 1.548(10) .
O51 C1 1.250(17) .
O52 C1 1.249(18) .
O53 C4 1.260(18) .
O54 C4 1.271(18) .
O55 C7 1.256(18) .
O56 C7 1.260(17) .
O57 C10 1.271(17) .
O58 C10 1.253(17) .
O59 C13 1.244(18) .
O60 C13 1.261(19) .
O61 C16 1.290(19) .
O62 C16 1.251(19) .
O67 C19 1.28(2) .
O68 C19 1.24(2) .
O69 C22 1.24(2) .
O70 C25 1.301(19) 2_656
O71 C25 1.256(19) .
O72 C22 1.23(2) 2_656
O75 Cr5 1.902(8) 2_656
N1 C3 1.19(3) .
N2A N2B 1.02(5) .
N2A C6A 1.12(5) .
N2A C6B 1.26(5) .
N2B C6B 1.18(5) .
N2B C6A 1.54(6) .
N3 C9 1.14(2) .
N4 C12 1.17(2) .
N5 C15 1.14(2) .
N6 C21 1.11(3) .
N7A C18B 1.10(5) .
N7A N7B 1.44(6) .
N7A C18A 1.79(7) .
N7B C18A 1.27(7) .
N7B C18B 1.33(6) .
N8 C27 1.16(3) .
N9 C24 1.11(3) .
C1 C2 1.56(2) .
C2 C3 1.42(3) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C4 C5 1.53(2) .
C5 C6A 1.42(4) .
C5 C6B 1.54(4) .
C6A C6B 0.64(4) .
C7 C8 1.52(2) .
C8 C9 1.47(2) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C10 C11 1.51(2) .
C11 C12 1.38(2) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C13 C14 1.53(2) .
C14 C15 1.41(2) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C16 C17 1.50(2) .
C17 C18A 1.22(6) .
C17 C18B 1.69(4) .
C18A C18B 0.80(6) .
C19 C20 1.53(2) .
C20 C21 1.43(3) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C22 O72 1.23(2) 2_656
C22 C23 1.51(2) .
C23 C24 1.48(3) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C25 O70 1.301(19) 2_656
C25 C26 1.47(2) .
C26 C27 1.45(3) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
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_4
O1 W1 O2 W2 -170.8(7) . .
O5 W1 O2 W2 -69.1(7) . .
O3 W1 O2 W2 85.8(7) . .
O4 W1 O2 W2 7.9(14) . .
O37 W1 O2 W2 2.3(6) . .
O8 W4 O4 W1 131.5(13) . .
O14 W4 O4 W1 -125.5(13) . .
O11 W4 O4 W1 30.4(13) . .
O19 W4 O4 W1 -41(2) . .
O40 W4 O4 W1 -53.7(13) . .
O6 W2 O10 W5 -172.1(6) . .
O2 W2 O10 W5 -70.0(6) . .
O16 W2 O10 W5 85.9(6) . .
O12 W2 O10 W5 5.7(14) . .
O37 W2 O10 W5 1.8(5) . .
O7 W3 O11 W4 129.8(12) . .
O3 W3 O11 W4 27.7(12) . .
O18 W3 O11 W4 -127.1(12) . .
O13 W3 O11 W4 -44.1(19) . .
O39 W3 O11 W4 -55.1(12) . .
O17 W6 O12 W2 131.0(12) . .
O23 W6 O12 W2 -45.6(19) . .
O13 W6 O12 W2 -126.6(12) . .
O22 W6 O12 W2 28.5(12) . .
O39 W6 O12 W2 -54.6(12) . .
O9 W5 O15 W7 129.5(11) . .
O5 W5 O15 W7 -128.6(11) . .
O21 W5 O15 W7 26.9(11) . .
O10 W5 O15 W7 -47.6(17) . .
O37 W5 O15 W7 -57.4(11) . .
O28 W8 O22 W6 128.3(12) . .
O32 W8 O22 W6 -129.4(13) . .
O16 W8 O22 W6 26.4(12) . .
O26 W8 O22 W6 -46(2) . .
O38 W8 O22 W6 -57.3(12) . .
O29 W9 O23 W6 -170.5(7) . .
O33 W9 O23 W6 85.5(8) . .
O27 W9 O23 W6 4.7(16) . .
O18 W9 O23 W6 -70.4(7) . .
O39 W9 O23 W6 1.6(6) . .
O20 W7 O24 W11 130.3(14) . .
O25 W7 O24 W11 -127.4(14) . .
O15 W7 O24 W11 27.5(14) . .
O14 W7 O24 W11 -44(2) . .
O40 W7 O24 W11 -55.4(14) . .
O20 W7 O25 W10 -171.0(7) . .
O24 W7 O25 W10 84.1(7) . .
O15 W7 O25 W10 2.1(14) . .
O14 W7 O25 W10 -70.2(7) . .
O40 W7 O25 W10 1.2(6) . .
O30 W10 O27 W9 128.4(13) . .
O19 W10 O27 W9 -129.0(14) . .
O34 W10 O27 W9 26.6(13) . .
O25 W10 O27 W9 -49(2) . .
O40 W10 O27 W9 -57.3(13) . .
O28 W8 O32 W12 -169.9(7) . .
O22 W8 O32 W12 86.6(7) . .
O16 W8 O32 W12 7.9(16) . .
O26 W8 O32 W12 -69.3(7) . .
O38 W8 O32 W12 3.2(6) . .
O29 W9 O33 W12 129.3(14) . .
O23 W9 O33 W12 -128.4(15) . .
O27 W9 O33 W12 26.4(14) . .
O18 W9 O33 W12 -48(2) . .
O39 W9 O33 W12 -57.0(14) . .
O36 W12 O34 W10 131.2(15) . .
O35 W12 O34 W10 -125.8(15) . .
O32 W12 O34 W10 -42(2) . .
O33 W12 O34 W10 28.9(15) . .
O38 W12 O34 W10 -53.8(15) . .
O36 W12 O35 W11 -172.5(7) . .
O34 W12 O35 W11 84.6(7) . .
O32 W12 O35 W11 -70.6(7) . .
O33 W12 O35 W11 2.4(15) . .
O38 W12 O35 W11 0.8(6) . .
O39 P1 O37 W5 -178.8(6) . .
O40 P1 O37 W5 -58.8(7) . .
O38 P1 O37 W5 61.5(7) . .
O39 P1 O37 W1 -58.0(7) . .
O40 P1 O37 W1 61.9(7) . .
O38 P1 O37 W1 -177.7(5) . .
O39 P1 O37 W2 61.4(7) . .
O40 P1 O37 W2 -178.6(6) . .
O38 P1 O37 W2 -58.3(7) . .
O39 P1 O38 W8 -58.0(8) . .
O40 P1 O38 W8 -179.0(6) . .
O37 P1 O38 W8 61.6(8) . .
O39 P1 O38 W11 -179.3(5) . .
O40 P1 O38 W11 59.7(8) . .
O37 P1 O38 W11 -59.7(7) . .
O39 P1 O38 W12 62.7(7) . .
O40 P1 O38 W12 -58.2(8) . .
O37 P1 O38 W12 -177.6(5) . .
O40 P1 O39 W9 61.6(7) . .
O38 P1 O39 W9 -59.6(7) . .
O37 P1 O39 W9 -179.0(5) . .
O40 P1 O39 W3 -58.5(7) . .
O38 P1 O39 W3 -179.7(6) . .
O37 P1 O39 W3 60.9(8) . .
O40 P1 O39 W6 -178.9(5) . .
O38 P1 O39 W6 59.8(7) . .
O37 P1 O39 W6 -59.5(7) . .
O39 P1 O40 W4 60.1(8) . .
O38 P1 O40 W4 -179.1(6) . .
O37 P1 O40 W4 -59.6(8) . .
O39 P1 O40 W7 -178.5(5) . .
O38 P1 O40 W7 -57.7(8) . .
O37 P1 O40 W7 61.8(7) . .
O39 P1 O40 W10 -59.7(7) . .
O38 P1 O40 W10 61.1(8) . .
O37 P1 O40 W10 -179.4(6) . .
O57 Cr2 O66 Cr3 47.7(6) . .
O52 Cr2 O66 Cr3 -132.9(6) . .
O54 Cr2 O66 Cr3 136.1(5) . .
O55 Cr2 O66 Cr3 -45.4(6) . .
O57 Cr2 O66 Cr1 -131.0(6) . .
O52 Cr2 O66 Cr1 48.5(6) . .
O54 Cr2 O66 Cr1 -42.6(6) . .
O55 Cr2 O66 Cr1 136.0(5) . .
O61 Cr3 O66 Cr2 -133.9(6) . .
O56 Cr3 O66 Cr2 46.8(6) . .
O58 Cr3 O66 Cr2 -44.8(6) . .
O59 Cr3 O66 Cr2 136.7(5) . .
O61 Cr3 O66 Cr1 44.7(6) . .
O56 Cr3 O66 Cr1 -134.6(5) . .
O58 Cr3 O66 Cr1 133.9(5) . .
O59 Cr3 O66 Cr1 -44.6(6) . .
C6A N2A N2B C6B -2(4) . .
C6B N2A N2B C6A 2(4) . .
C18B N7A N7B C18A 1(5) . .
C18A N7A N7B C18B -1(5) . .
Cr1 O51 C1 O52 6(3) . .
Cr1 O51 C1 C2 -172.1(10) . .
Cr2 O52 C1 O51 3(2) . .
Cr2 O52 C1 C2 -179.7(10) . .
O51 C1 C2 C3 -22(2) . .
O52 C1 C2 C3 159.6(16) . .
Cr1 O53 C4 O54 3(2) . .
Cr1 O53 C4 C5 -178.6(11) . .
Cr2 O54 C4 O53 2(2) . .
Cr2 O54 C4 C5 -175.7(11) . .
O53 C4 C5 C6A 135(2) . .
O54 C4 C5 C6A -47(3) . .
O53 C4 C5 C6B 159(2) . .
O54 C4 C5 C6B -23(2) . .
N2B N2A C6A C6B 4(7) . .
C6B N2A C6A N2B -4(7) . .
C4 C5 C6A C6B 69(6) . .
C4 C5 C6A N2B 76(5) . .
C6B C5 C6A N2B 7(4) . .
N2A N2B C6A C6B -175(9) . .
C6B N2B C6A N2A 175(9) . .
N2A N2B C6A C5 176(6) . .
C6B N2B C6A C5 -9(6) . .
N2A C6A C6B N2B -3(6) . .
C5 C6A C6B N2B 173(4) . .
C5 C6A C6B N2A 177(4) . .
N2B C6A C6B N2A 3(6) . .
N2A C6A C6B C5 -177(4) . .
N2B C6A C6B C5 -173(4) . .
N2A N2B C6B C6A 4(7) . .
C6A N2B C6B N2A -4(7) . .
N2B N2A C6B C6A -176(8) . .
C6A N2A C6B N2B 176(8) . .
N2B N2A C6B C5 -172(5) . .
C6A N2A C6B C5 4(5) . .
C4 C5 C6B C6A -119(6) . .
C6A C5 C6B N2A -4(5) . .
C4 C5 C6B N2A -123(4) . .
Cr2 O55 C7 O56 10(2) . .
Cr2 O55 C7 C8 -171.7(10) . .
Cr3 O56 C7 O55 -7(2) . .
Cr3 O56 C7 C8 174.2(10) . .
O55 C7 C8 C9 172.4(14) . .
O56 C7 C8 C9 -9(2) . .
Cr3 O58 C10 O57 16(2) . .
Cr3 O58 C10 C11 -166.5(10) . .
Cr2 O57 C10 O58 -12(2) . .
Cr2 O57 C10 C11 171.3(10) . .
O58 C10 C11 C12 10(2) . .
O57 C10 C11 C12 -173.1(14) . .
Cr3 O59 C13 O60 1(3) . .
Cr3 O59 C13 C14 -179.4(10) . .
Cr1 O60 C13 O59 9(3) . .
Cr1 O60 C13 C14 -170.8(10) . .
O59 C13 C14 C15 -173.8(15) . .
O60 C13 C14 C15 6(2) . .
Cr1 O62 C16 O61 3(3) . .
Cr1 O62 C16 C17 178.3(10) . .
Cr3 O61 C16 O62 -3(3) . .
Cr3 O61 C16 C17 -178.6(10) . .
O62 C16 C17 C18A -170(4) . .
O61 C16 C17 C18A 6(4) . .
O62 C16 C17 C18B 162.9(19) . .
O61 C16 C17 C18B -21(2) . .
C16 C17 C18A C18B -78(8) . .
C16 C17 C18A N7A -82(6) . .
C18B C17 C18A N7A -4(4) . .
N7A N7B C18A C18B -1(6) . .
C18B N7B C18A N7A 1(6) . .
N7B N7A C18A C18B 178(14) . .
C18B N7A C18A C17 9(9) . .
N7B N7A C18A C17 -173(9) . .
C18B N7A C18A N7B -178(14) . .
C17 C18A C18B N7A -173(7) . .
N7B C18A C18B N7A 2(12) . .
C17 C18A C18B N7B -175(7) . .
N7A C18A C18B N7B -2(12) . .
N7B C18A C18B C17 175(7) . .
N7A C18A C18B C17 173(7) . .
N7B N7A C18B C18A -2(11) . .
C18A N7A C18B N7B 2(11) . .
N7A N7B C18B C18A 179(8) . .
C18A N7B C18B N7A -179(8) . .
C18A N7B C18B C17 -4(5) . .
N7A N7B C18B C17 175(5) . .
C16 C17 C18B C18A 112(8) . .
C18A C17 C18B N7B 5(7) . .
C16 C17 C18B N7B 118(3) . .
Cr5 O68 C19 O67 -4(2) . .
Cr5 O68 C19 C20 178.4(10) . .
Cr4 O67 C19 O68 8(2) . .
Cr4 O67 C19 C20 -174.4(9) . .
O68 C19 C20 C21 179.2(15) . .
O67 C19 C20 C21 1(2) . .
Cr4 O69 C22 O72 -13(3) . 2_656
Cr4 O69 C22 C23 168.2(10) . .
O72 C22 C23 C24 11(2) 2_656 .
O69 C22 C23 C24 -170.2(15) . .
Cr5 O71 C25 O70 -2(3) . 2_656
Cr5 O71 C25 C26 176.5(13) . .
O71 C25 C26 C27 3(3) . .
O70 C25 C26 C27 -178.4(17) 2_656 .
