# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2018

####################################################################### 
# 
# 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_c2c
_database_code_depnum_ccdc_archive 'CCDC 1451651'
_audit_update_record             
;
2018-03-20 deposited with the CCDC.
2018-04-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C21 H51 Fe3 N14 Na3 O73 Sb2 W18'
_chemical_formula_weight         5457.07

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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'
Fe Fe 0.3463 0.8444 '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'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   32.614(4)
_cell_length_b                   15.7648(15)
_cell_length_c                   25.292(3)
_cell_angle_alpha                90
_cell_angle_beta                 111.421(3)
_cell_angle_gamma                90
_cell_volume                     12106(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2357
_cell_measurement_theta_min      1
_cell_measurement_theta_max      25

_exptl_crystal_description       block
_exptl_crystal_colour            'light brown'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    2.994
_exptl_crystal_F_000             9616
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.130
_exptl_absorpt_coefficient_mu    17.893
_shelx_estimated_absorpt_T_min   0.141
_shelx_estimated_absorpt_T_max   0.204
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.056
_exptl_absorpt_correction_T_max  0.098
_exptl_absorpt_process_details   
;SADABS 2014/5 (Bruker,2014) was used for absorption 
correction. R(int) was 0.1266 before and 0.0414 after correction. The Ratio of minimum 
to maximum transmission is 0.5714. The λ/2 correction factor is 0.0015. 
;
_exptl_special_details           
;
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX area-detector diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            34468
_diffrn_reflns_av_unetI/netI     0.1087
_diffrn_reflns_av_R_equivalents  0.1037
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.341
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 0.974
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 0.974
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 0.974
_reflns_number_total             10675
_reflns_number_gt                6148
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
For the final refinement, based on the calculation results, elemental analysis
and TG analysis, 4 H2O were directly added in the final molecular formula.
Anisotropic thermal parameters were used to refine all non-hydrogen atoms,
with the exception for some oxygen atoms. Those hydrogen atoms attached to
lattice water molecules were not located. During the refinement, the command
'OMIT' was used to omit some reflections which have a Theta over 25 degree.
The restraint command 'SIMU' 'DELU'`and 'FLAT' were used to restrain C and N
atoms on imidazole. The restraint command 'ISOR' was used to restrain O atom,
C atom and N atom with NPD problem. The restraint command 'EXYZ and EADP' was
used to restrain the C8 and N8. The C-C and C-N bond lengths of imidazole were
also fixed with restraint command "DFIX". Furthermore, the restraint command
'DAMP' was used to prvent the Low Bond Precision on C-C Bonds. All these
restrained refinement led to high restraint value.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_structure_solution    'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXL-2014 (Sheldrick, 2014)'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0904P)²+796.7593P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10675
_refine_ls_number_parameters     584
_refine_ls_number_restraints     154
_refine_ls_R_factor_all          0.1286
_refine_ls_R_factor_gt           0.0634
_refine_ls_wR_factor_ref         0.2061
_refine_ls_wR_factor_gt          0.1693
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_restrained_S_all      1.022
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
O1 O 0.3743(7) 0.3515(12) 0.0864(7) 0.049(6) Uani 1 1 d . . . . .
O2 O 0.3680(7) 0.2495(12) 0.3724(7) 0.049(6) Uani 1 1 d . . . . .
O3 O 0.3073(7) 0.2487(11) 0.0813(7) 0.042(5) Uani 1 1 d . . . . .
O4 O 0.3524(7) 0.0150(11) 0.2852(7) 0.039(5) Uani 1 1 d . . . . .
O5 O 0.3192(7) 0.1755(12) 0.2782(8) 0.045(5) Uani 1 1 d . . . . .
O6 O 0.3732(6) 0.2753(10) 0.1742(6) 0.026(4) Uani 1 1 d . U . . .
O7 O 0.4134(7) 0.1178(11) 0.3560(7) 0.044(6) Uani 1 1 d . . . . .
O8 O 0.3989(6) 0.2731(10) 0.2934(6) 0.026(4) Uani 1 1 d . . . . .
O9 O 0.4097(7) -0.0351(10) 0.2376(7) 0.039(5) Uani 1 1 d . . . . .
O10 O 0.3082(6) 0.3137(12) 0.2231(7) 0.036(5) Uani 1 1 d . . . . .
O11 O 0.2838(7) 0.3093(16) 0.3203(9) 0.061(6) Uani 1 1 d . . . . .
O12 O 0.3867(7) 0.4309(12) 0.2323(7) 0.044(5) Uani 1 1 d . . . . .
O13 O 0.4496(7) 0.2081(13) 0.4583(7) 0.048(6) Uani 1 1 d . . . . .
O14 O 0.2408(7) 0.3036(12) 0.1140(8) 0.048(6) Uani 1 1 d . . . . .
O15 O 0.2641(7) 0.0377(11) 0.2190(9) 0.048(6) Uani 1 1 d . . . . .
O16 O 0.4649(7) 0.3884(12) 0.3003(7) 0.041(5) Uani 1 1 d . . . . .
O17 O 0.3870(6) 0.1180(10) 0.2344(6) 0.031(4) Uani 1 1 d . . . . .
O18 O 0.4318(7) -0.0572(13) 0.3547(8) 0.050(6) Uani 1 1 d . . . . .
O19 O 0.4812(6) 0.2180(10) 0.3682(7) 0.034(5) Uani 1 1 d . . . . .
O20 O 0.3571(7) 0.2107(11) 0.0145(7) 0.040(5) Uani 1 1 d . . . . .
O21 O 0.3829(7) -0.0574(12) 0.1193(8) 0.050(6) Uani 1 1 d . . . . .
O22 O 0.4230(8) 0.5163(13) 0.3387(8) 0.059(7) Uani 1 1 d . . . . .
O23 O 0.2967(6) 0.1714(12) 0.1676(8) 0.043(5) Uani 1 1 d . . . . .
O24 O 0.4369(7) 0.3527(12) 0.3865(7) 0.042(5) Uani 1 1 d . . . . .
O25 O 0.4418(7) 0.3876(12) 0.1849(7) 0.043(5) Uani 1 1 d . . . . .
O26 O 0.3547(6) 0.3984(11) 0.3169(7) 0.036(5) Uani 1 1 d . . . . .
O27 O 0.3271(7) 0.0156(10) 0.1717(7) 0.037(5) Uani 1 1 d . . . . .
O28 O 0.3185(7) 0.3967(11) 0.1363(8) 0.045(5) Uani 1 1 d . . . . .
O29 O 0.4708(6) 0.0658(10) 0.3093(6) 0.028(4) Uani 1 1 d . . . . .
O30 O 0.4423(6) 0.0650(10) 0.1782(7) 0.029(4) Uani 1 1 d . . . . .
O31 O 0.4289(6) 0.2160(10) 0.1177(6) 0.032(5) Uani 1 1 d . . . . .
O32 O 0.3779(8) 0.5117(11) 0.1299(9) 0.055(6) Uani 1 1 d . . . . .
O33 O 0.3618(6) 0.1157(10) 0.1122(7) 0.032(5) Uani 1 1 d . . . . .
Sb1 Sb 0.42169(6) 0.22249(10) 0.23887(6) 0.0241(4) Uani 1 1 d . . . . .
W1 W 0.36956(4) 0.22806(7) 0.08636(4) 0.0317(3) Uani 1 1 d . . . . .
W2 W 0.38753(4) 0.02594(7) 0.16576(4) 0.0304(3) Uani 1 1 d . . . . .
W3 W 0.43200(4) 0.22877(8) 0.38454(4) 0.0367(3) Uani 1 1 d . . . . .
W4 W 0.41766(4) 0.02588(7) 0.30721(4) 0.0332(3) Uani 1 1 d . . . . .
W5 W 0.41702(4) 0.41186(7) 0.31411(5) 0.0374(3) Uani 1 1 d . . . . .
W6 W 0.32936(4) 0.28991(8) 0.30206(5) 0.0412(3) Uani 1 1 d . . . . .
W7 W 0.31496(4) 0.08355(7) 0.22620(5) 0.0366(3) Uani 1 1 d . . . . .
W8 W 0.29621(4) 0.28502(7) 0.14479(5) 0.0375(3) Uani 1 1 d . . . . .
W9 W 0.38413(4) 0.41044(7) 0.15796(5) 0.0352(3) Uani 1 1 d . . . . .
Fe1 Fe 0.52297(13) 0.1301(2) 0.35936(13) 0.0268(9) Uani 1 1 d . . . . .
Fe2 Fe 0.5000 0.4133(3) 0.2500 0.0329(14) Uani 1 2 d S T P . .
N1 N 0.5386(10) 0.0699(17) 0.4358(10) 0.056(8) Uani 1 1 d . . . . .
N2 N 0.5503(14) -0.025(3) 0.5038(18) 0.119(12) Uani 1 1 d . U . . .
H2 H 0.5525 -0.0725 0.5215 0.143 Uiso 1 1 calc R U . . .
N5 N 0.2245(10) 0.0489(18) -0.0284(12) 0.065(8) Uani 1 1 d . U . . .
H5 H 0.2092 0.0611 -0.0631 0.078 Uiso 0.5 1 calc R U P . .
N6 N 0.2686(12) 0.061(2) 0.0553(14) 0.012(8) Uiso 0.5 1 d . . P . .
H6 H 0.2874 0.0833 0.0853 0.014 Uiso 0.5 1 calc R U P . .
N7 N 0.5000 0.546(2) 0.2500 0.051(10) Uani 1 2 d DS T P B .
C1 C 0.5469(15) 0.103(3) 0.4846(18) 0.087(11) Uani 1 1 d . U . . .
H1 H 0.5478 0.1611 0.4899 0.105 Uiso 1 1 calc R U . . .
C2 C 0.5544(16) 0.049(3) 0.527(2) 0.095(10) Uani 1 1 d . U . . .
H2A H 0.5610 0.0612 0.5656 0.114 Uiso 1 1 calc R U . . .
C3 C 0.5421(15) -0.018(3) 0.4474(19) 0.093(12) Uani 1 1 d . U . . .
H3 H 0.5394 -0.0619 0.4217 0.111 Uiso 1 1 calc R U . . .
C7 C 0.514(4) 0.592(4) 0.296(2) 0.14(4) Uani 0.5 1 d D U P . .
H7 H 0.5273 0.5728 0.3326 0.173 Uiso 0.5 1 calc R U P A 1
C8 C 0.506(3) 0.671(5) 0.280(3) 0.03(2) Uiso 0.125 1 d D . P B 1
N8 N 0.506(3) 0.671(5) 0.280(3) 0.03(2) Uiso 0.125 1 d . . P B 2
H8A H 0.5072 0.7142 0.3019 0.035 Uiso 0.125 1 calc R U P B 2
C9 C 0.2272(18) -0.029(3) -0.005(2) 0.029(12) Uani 0.5 1 d . U P . .
H9 H 0.2126 -0.0778 -0.0219 0.034 Uiso 0.5 1 calc R U P . .
C11 C 0.2481(15) 0.101(3) 0.0084(16) 0.014(9) Uani 0.5 1 d . U P . .
H11 H 0.2504 0.1590 0.0027 0.017 Uiso 0.5 1 calc R U P . .
C13 C 0.2566(19) -0.020(3) 0.051(2) 0.033(13) Uani 0.5 1 d . U P . .
H13 H 0.2657 -0.0611 0.0790 0.040 Uiso 0.5 1 calc R U P . .
Na1 Na 0.5000 -0.0218(11) 0.2500 0.058(5) Uani 1 2 d S T P . .
Na2 Na 0.4703(5) 0.3452(9) 0.1100(6) 0.070(4) Uani 1 1 d . U . . .
N4 N 0.3401(13) 0.072(2) 0.4069(18) 0.038(6) Uani 0.5 1 d D U P . .
H4 H 0.3424 0.1095 0.3833 0.046 Uiso 0.5 1 calc R U P . .
C4 C 0.3334(15) -0.005(4) 0.3949(16) 0.038(6) Uani 0.5 1 d D U P . .
H4A H 0.3298 -0.0299 0.3603 0.046 Uiso 0.5 1 calc R U P . .
C5 C 0.3321(16) -0.047(3) 0.446(2) 0.039(6) Uani 0.5 1 d D U P . .
H5A H 0.3278 -0.1046 0.4501 0.046 Uiso 0.5 1 calc R U P . .
N3 N 0.3380(14) 0.010(3) 0.4825(15) 0.038(6) Uani 0.5 1 d D U P . .
H3A H 0.3389 0.0048 0.5168 0.046 Uiso 0.5 1 calc R U P . .
C6 C 0.3430(16) 0.088(4) 0.452(2) 0.039(6) Uani 0.5 1 d . U P . .
H6A H 0.3479 0.1423 0.4680 0.046 Uiso 0.5 1 calc R U P . .
O1W O 0.4513(17) 0.323(3) 0.0105(19) 0.066(13) Uiso 0.5 1 d . . P . .
O2W O 0.4599(16) 0.494(3) 0.0860(18) 0.064(13) Uiso 0.5 1 d . . P . .
O3W O 0.5174(17) -0.134(3) 0.321(2) 0.075(15) Uiso 0.5 1 d . . P . .
O4W O 0.3976(19) -0.226(3) 0.239(2) 0.088(17) Uiso 0.5 1 d . . P . .
O5W O 0.2969(16) -0.147(3) 0.1714(19) 0.066(13) Uiso 0.5 1 d . . P . .


_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
O1 W1 1.953(19) . ?
O1 W9 1.954(18) . ?
O1 Na2 2.97(3) . ?
O2 W6 1.877(19) . ?
O2 W3 2.02(2) . ?
O3 W8 1.86(2) . ?
O3 W1 2.01(2) . ?
O4 W7 1.886(18) . ?
O4 W4 2.00(2) . ?
O5 W6 1.892(19) . ?
O5 W7 1.928(19) . ?
O6 Sb1 1.995(15) . ?
O6 W9 2.222(15) . ?
O6 W1 2.306(16) . ?
O6 W8 2.349(17) . ?
O7 W3 1.904(19) . ?
O7 W4 1.942(19) . ?
O8 Sb1 1.960(16) . ?
O8 W3 2.269(15) . ?
O8 W5 2.277(15) . ?
O8 W6 2.370(18) . ?
O9 W4 1.938(17) . ?
O9 W2 1.948(15) . ?
O9 Na1 2.85(2) . ?
O10 W6 1.897(18) . ?
O10 W8 1.927(17) . ?
O11 W6 1.74(2) . ?
O12 W9 1.880(18) . ?
O12 W5 1.962(16) . ?
O13 W3 1.769(17) . ?
O14 W8 1.71(2) . ?
O15 W7 1.76(2) . ?
O16 W5 1.76(2) . ?
O16 Fe2 2.04(2) . ?
O16 Na2 2.56(2) 2_655 ?
O17 Sb1 1.979(18) . ?
O17 W2 2.267(15) . ?
O17 W4 2.270(16) . ?
O17 W7 2.345(19) . ?
O18 W4 1.723(18) . ?
O19 W3 1.80(2) . ?
O19 Fe1 2.013(19) . ?
O19 Na2 2.49(2) 2_655 ?
O20 W1 1.734(16) . ?
O21 W2 1.733(19) . ?
O22 W5 1.746(19) . ?
O23 W8 1.88(2) . ?
O23 W7 1.955(19) . ?
O24 W5 1.943(18) . ?
O24 W3 1.959(19) . ?
O24 Na2 3.00(3) 2_655 ?
O25 W9 1.79(2) . ?
O25 Fe2 2.048(18) . ?
O25 Na2 2.49(2) . ?
O26 W6 1.876(17) . ?
O26 W5 2.071(19) . ?
O27 W7 1.898(18) . ?
O27 W2 2.04(2) . ?
O28 W8 1.948(19) . ?
O28 W9 2.02(2) . ?
O29 W4 1.826(18) . ?
O29 Fe1 1.988(17) . ?
O29 Na1 2.472(19) . ?
O30 W2 1.805(18) . ?
O30 Fe1 2.006(18) 2_655 ?
O30 Na1 2.494(19) . ?
O31 W1 1.81(2) . ?
O31 Fe1 1.993(19) 2_655 ?
O31 Na2 2.49(2) . ?
O32 W9 1.728(18) . ?
O33 W2 1.926(15) . ?
O33 W1 1.937(15) . ?
W1 Na2 3.623(15) . ?
W2 Na1 3.585(4) . ?
W3 Na2 3.635(16) 2_655 ?
W4 Na1 3.565(4) . ?
W5 Na2 3.625(15) 2_655 ?
W9 Na2 3.595(16) . ?
Fe1 O31 1.993(19) 2_655 ?
Fe1 O30 2.006(18) 2_655 ?
Fe1 N1 2.04(2) . ?
Fe1 Na2 3.467(15) 2_655 ?
Fe1 Na1 3.526(12) . ?
Fe2 O16 2.03(2) 2_655 ?
Fe2 O25 2.048(18) 2_655 ?
Fe2 N7 2.09(3) . ?
Fe2 Na2 3.482(14) . ?
Fe2 Na2 3.482(14) 2_655 ?
N1 C1 1.27(4) . ?
N1 C3 1.41(5) . ?
N2 C2 1.29(5) . ?
N2 C3 1.36(5) . ?
N5 C11 1.27(5) . ?
N5 C9 1.35(5) . ?
N6 C11 1.30(5) . ?
N6 C13 1.32(6) . ?
N7 C7 1.30(2) . ?
N7 C7 1.30(2) 2_655 ?
C1 C2 1.33(5) . ?
C7 C8 1.30(2) . ?
C8 C8 1.44(16) 2_655 ?
C9 C13 1.39(7) . ?
Na1 O3W 2.43(5) . ?
Na1 O3W 2.43(5) 2_655 ?
Na1 O29 2.472(19) 2_655 ?
Na1 O30 2.494(19) 2_655 ?
Na1 O9 2.85(2) 2_655 ?
Na1 Fe1 3.526(12) 2_655 ?
Na1 W4 3.565(4) 2_655 ?
Na2 O1W 2.39(5) . ?
Na2 O2W 2.42(5) . ?
Na2 O19 2.49(2) 2_655 ?
Na2 O16 2.56(2) 2_655 ?
Na2 O24 3.00(3) 2_655 ?
Na2 Fe1 3.467(15) 2_655 ?
N4 C6 1.14(6) . ?
N4 C4 1.25(6) . ?
C4 C5 1.47(6) . ?
C4 C6 2.00(7) . ?
C5 N3 1.25(6) . ?
N3 C6 1.50(7) . ?

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
W1 O1 W9 117.4(9) . . ?
W1 O1 Na2 92.5(9) . . ?
W9 O1 Na2 91.5(7) . . ?
W6 O2 W3 119.7(10) . . ?
W8 O3 W1 120.3(9) . . ?
W7 O4 W4 119.1(9) . . ?
W6 O5 W7 153.5(11) . . ?
Sb1 O6 W9 114.8(8) . . ?
Sb1 O6 W1 113.7(8) . . ?
W9 O6 W1 95.0(6) . . ?
Sb1 O6 W8 136.3(8) . . ?
W9 O6 W8 96.0(6) . . ?
W1 O6 W8 92.4(6) . . ?
W3 O7 W4 147.1(11) . . ?
Sb1 O8 W3 115.3(8) . . ?
Sb1 O8 W5 114.8(8) . . ?
W3 O8 W5 94.3(6) . . ?
Sb1 O8 W6 137.1(8) . . ?
W3 O8 W6 93.3(6) . . ?
W5 O8 W6 92.8(6) . . ?
W4 O9 W2 118.9(9) . . ?
W4 O9 Na1 94.2(7) . . ?
W2 O9 Na1 94.7(7) . . ?
W6 O10 W8 153.5(11) . . ?
W9 O12 W5 148.2(12) . . ?
W5 O16 Fe2 145.7(10) . . ?
W5 O16 Na2 112.6(8) . 2_655 ?
Fe2 O16 Na2 97.7(9) . 2_655 ?
Sb1 O17 W2 114.4(8) . . ?
Sb1 O17 W4 114.4(8) . . ?
W2 O17 W4 95.0(6) . . ?
Sb1 O17 W7 137.0(8) . . ?
W2 O17 W7 94.1(6) . . ?
W4 O17 W7 93.1(6) . . ?
W3 O19 Fe1 141.7(9) . . ?
W3 O19 Na2 114.9(8) . 2_655 ?
Fe1 O19 Na2 100.2(9) . 2_655 ?
W8 O23 W7 150.9(11) . . ?
W5 O24 W3 117.3(8) . . ?
W5 O24 Na2 91.9(8) . 2_655 ?
W3 O24 Na2 92.0(7) . 2_655 ?
W9 O25 Fe2 143.5(11) . . ?
W9 O25 Na2 113.4(8) . . ?
Fe2 O25 Na2 99.9(9) . . ?
W6 O26 W5 116.9(9) . . ?
W7 O27 W2 118.1(9) . . ?
W8 O28 W9 118.0(9) . . ?
W4 O29 Fe1 141.0(9) . . ?
W4 O29 Na1 111.2(7) . . ?
Fe1 O29 Na1 103.9(8) . . ?
W2 O30 Fe1 141.9(9) . 2_655 ?
W2 O30 Na1 112.0(8) . . ?
Fe1 O30 Na1 102.6(8) 2_655 . ?
W1 O31 Fe1 143.1(9) . 2_655 ?
W1 O31 Na2 113.8(8) . . ?
Fe1 O31 Na2 100.7(9) 2_655 . ?
W2 O33 W1 146.3(10) . . ?
O8 Sb1 O17 91.3(7) . . ?
O8 Sb1 O6 90.9(7) . . ?
O17 Sb1 O6 92.0(7) . . ?
O20 W1 O31 104.3(9) . . ?
O20 W1 O33 101.5(7) . . ?
O31 W1 O33 90.4(8) . . ?
O20 W1 O1 98.4(8) . . ?
O31 W1 O1 91.8(8) . . ?
O33 W1 O1 158.7(8) . . ?
O20 W1 O3 96.5(9) . . ?
O31 W1 O3 159.2(7) . . ?
O33 W1 O3 85.2(8) . . ?
O1 W1 O3 85.3(8) . . ?
O20 W1 O6 166.3(8) . . ?
O31 W1 O6 86.6(6) . . ?
O33 W1 O6 86.4(6) . . ?
O1 W1 O6 72.6(7) . . ?
O3 W1 O6 72.9(7) . . ?
O20 W1 Na2 96.0(7) . . ?
O31 W1 Na2 39.0(6) . . ?
O33 W1 Na2 129.3(6) . . ?
O1 W1 Na2 54.9(7) . . ?
O3 W1 Na2 139.6(6) . . ?
O6 W1 Na2 87.2(5) . . ?
O21 W2 O30 102.3(9) . . ?
O21 W2 O33 99.9(8) . . ?
O30 W2 O33 91.2(7) . . ?
O21 W2 O9 99.7(8) . . ?
O30 W2 O9 90.0(8) . . ?
O33 W2 O9 159.6(7) . . ?
O21 W2 O27 98.2(9) . . ?
O30 W2 O27 159.5(7) . . ?
O33 W2 O27 85.7(7) . . ?
O9 W2 O27 86.1(8) . . ?
O21 W2 O17 169.0(9) . . ?
O30 W2 O17 86.1(7) . . ?
O33 W2 O17 86.9(6) . . ?
O9 W2 O17 72.9(7) . . ?
O27 W2 O17 73.5(7) . . ?
O21 W2 Na1 93.5(7) . . ?
O30 W2 Na1 40.2(5) . . ?
O33 W2 Na1 131.4(6) . . ?
O9 W2 Na1 52.5(6) . . ?
O27 W2 Na1 138.3(5) . . ?
O17 W2 Na1 88.4(5) . . ?
O13 W3 O19 104.5(9) . . ?
O13 W3 O7 99.5(8) . . ?
O19 W3 O7 90.8(8) . . ?
O13 W3 O24 99.5(8) . . ?
O19 W3 O24 91.6(8) . . ?
O7 W3 O24 159.6(7) . . ?
O13 W3 O2 96.3(9) . . ?
O19 W3 O2 159.3(7) . . ?
O7 W3 O2 85.6(9) . . ?
O24 W3 O2 85.1(8) . . ?
O13 W3 O8 168.0(8) . . ?
O19 W3 O8 86.0(7) . . ?
O7 W3 O8 86.0(6) . . ?
O24 W3 O8 73.9(6) . . ?
O2 W3 O8 73.4(7) . . ?
O13 W3 Na2 96.3(7) . 2_655 ?
O19 W3 Na2 38.4(6) . 2_655 ?
O7 W3 Na2 129.1(7) . 2_655 ?
O24 W3 Na2 55.4(7) . 2_655 ?
O2 W3 Na2 140.0(6) . 2_655 ?
O8 W3 Na2 88.2(5) . 2_655 ?
O18 W4 O29 103.5(9) . . ?
O18 W4 O9 99.7(8) . . ?
O29 W4 O9 90.5(8) . . ?
O18 W4 O7 100.8(8) . . ?
O29 W4 O7 90.6(8) . . ?
O9 W4 O7 158.6(7) . . ?
O18 W4 O4 96.6(9) . . ?
O29 W4 O4 159.9(7) . . ?
O9 W4 O4 85.9(8) . . ?
O7 W4 O4 85.7(8) . . ?
O18 W4 O17 168.0(8) . . ?
O29 W4 O17 86.3(7) . . ?
O9 W4 O17 73.0(6) . . ?
O7 W4 O17 85.8(6) . . ?
O4 W4 O17 73.8(7) . . ?
O18 W4 Na1 94.2(8) . . ?
O29 W4 Na1 40.3(5) . . ?
O9 W4 Na1 53.0(6) . . ?
O7 W4 Na1 130.9(7) . . ?
O4 W4 Na1 138.7(5) . . ?
O17 W4 Na1 88.8(5) . . ?
O22 W5 O16 106.1(10) . . ?
O22 W5 O24 99.4(9) . . ?
O16 W5 O24 94.1(8) . . ?
O22 W5 O12 100.3(9) . . ?
O16 W5 O12 87.9(8) . . ?
O24 W5 O12 158.9(8) . . ?
O22 W5 O26 93.9(9) . . ?
O16 W5 O26 159.8(8) . . ?
O24 W5 O26 85.0(8) . . ?
O12 W5 O26 85.9(8) . . ?
O22 W5 O8 166.9(9) . . ?
O16 W5 O8 85.9(8) . . ?
O24 W5 O8 74.0(6) . . ?
O12 W5 O8 85.2(7) . . ?
O26 W5 O8 74.5(6) . . ?
O22 W5 Na2 97.2(8) . 2_655 ?
O16 W5 Na2 40.8(6) . 2_655 ?
O24 W5 Na2 55.7(7) . 2_655 ?
O12 W5 Na2 128.7(7) . 2_655 ?
O26 W5 Na2 140.4(5) . 2_655 ?
O8 W5 Na2 88.4(5) . 2_655 ?
O11 W6 O26 98.2(10) . . ?
O11 W6 O2 98.7(10) . . ?
O26 W6 O2 91.5(8) . . ?
O11 W6 O5 100.7(10) . . ?
O26 W6 O5 161.0(9) . . ?
O2 W6 O5 87.6(8) . . ?
O11 W6 O10 103.1(9) . . ?
O26 W6 O10 89.7(8) . . ?
O2 W6 O10 157.7(9) . . ?
O5 W6 O10 84.1(8) . . ?
O11 W6 O8 169.8(8) . . ?
O26 W6 O8 75.8(7) . . ?
O2 W6 O8 73.5(8) . . ?
O5 W6 O8 85.7(8) . . ?
O10 W6 O8 85.2(7) . . ?
O15 W7 O4 99.2(9) . . ?
O15 W7 O27 97.5(9) . . ?
O4 W7 O27 90.3(8) . . ?
O15 W7 O5 102.2(9) . . ?
O4 W7 O5 91.5(8) . . ?
O27 W7 O5 159.7(8) . . ?
O15 W7 O23 101.5(9) . . ?
O4 W7 O23 159.3(8) . . ?
O27 W7 O23 86.3(7) . . ?
O5 W7 O23 84.9(8) . . ?
O15 W7 O17 169.0(7) . . ?
O4 W7 O17 74.0(7) . . ?
O27 W7 O17 74.2(7) . . ?
O5 W7 O17 86.9(7) . . ?
O23 W7 O17 85.4(7) . . ?
O14 W8 O3 99.6(9) . . ?
O14 W8 O23 101.1(9) . . ?
O3 W8 O23 89.3(8) . . ?
O14 W8 O10 102.2(9) . . ?
O3 W8 O10 158.2(8) . . ?
O23 W8 O10 86.1(8) . . ?
O14 W8 O28 99.8(9) . . ?
O3 W8 O28 89.1(8) . . ?
O23 W8 O28 159.0(8) . . ?
O10 W8 O28 87.6(8) . . ?
O14 W8 O6 169.8(8) . . ?
O3 W8 O6 74.4(7) . . ?
O23 W8 O6 87.2(7) . . ?
O10 W8 O6 84.1(7) . . ?
O28 W8 O6 72.2(7) . . ?
O32 W9 O25 107.0(10) . . ?
O32 W9 O12 102.1(9) . . ?
O25 W9 O12 89.8(8) . . ?
O32 W9 O1 95.9(9) . . ?
O25 W9 O1 92.9(8) . . ?
O12 W9 O1 160.2(8) . . ?
O32 W9 O28 91.9(9) . . ?
O25 W9 O28 161.1(8) . . ?
O12 W9 O28 86.9(8) . . ?
O1 W9 O28 84.2(8) . . ?
O32 W9 O6 163.4(8) . . ?
O25 W9 O6 87.4(7) . . ?
O12 W9 O6 86.0(7) . . ?
O1 W9 O6 74.5(7) . . ?
O28 W9 O6 73.9(7) . . ?
O32 W9 Na2 96.6(8) . . ?
O25 W9 Na2 39.4(6) . . ?
O12 W9 Na2 129.2(7) . . ?
O1 W9 Na2 55.6(7) . . ?
O28 W9 Na2 139.5(6) . . ?
O6 W9 Na2 89.2(5) . . ?
O29 Fe1 O31 158.8(7) . 2_655 ?
O29 Fe1 O30 86.5(7) . 2_655 ?
O31 Fe1 O30 87.9(7) 2_655 2_655 ?
O29 Fe1 O19 88.0(7) . . ?
O31 Fe1 O19 89.6(7) 2_655 . ?
O30 Fe1 O19 158.0(7) 2_655 . ?
O29 Fe1 N1 103.0(10) . . ?
O31 Fe1 N1 98.2(9) 2_655 . ?
O30 Fe1 N1 102.8(9) 2_655 . ?
O19 Fe1 N1 99.1(9) . . ?
O29 Fe1 Na2 127.6(6) . 2_655 ?
O31 Fe1 Na2 44.9(6) 2_655 2_655 ?
O30 Fe1 Na2 127.3(6) 2_655 2_655 ?
O19 Fe1 Na2 44.9(6) . 2_655 ?
N1 Fe1 Na2 105.6(8) . 2_655 ?
O29 Fe1 Na1 42.9(5) . . ?
O31 Fe1 Na1 127.5(5) 2_655 . ?
O30 Fe1 Na1 43.6(5) 2_655 . ?
O19 Fe1 Na1 126.6(5) . . ?
N1 Fe1 Na1 109.6(8) . . ?
Na2 Fe1 Na1 144.8(3) 2_655 . ?
O16 Fe2 O16 157.8(10) 2_655 . ?
O16 Fe2 O25 84.1(8) 2_655 2_655 ?
O16 Fe2 O25 91.6(8) . 2_655 ?
O16 Fe2 O25 91.6(8) 2_655 . ?
O16 Fe2 O25 84.1(8) . . ?
O25 Fe2 O25 157.2(11) 2_655 . ?
O16 Fe2 N7 101.1(5) 2_655 . ?
O16 Fe2 N7 101.1(5) . . ?
O25 Fe2 N7 101.4(5) 2_655 . ?
O25 Fe2 N7 101.4(5) . . ?
O16 Fe2 Na2 46.9(6) 2_655 . ?
O16 Fe2 Na2 124.4(6) . . ?
O25 Fe2 Na2 126.1(6) 2_655 . ?
O25 Fe2 Na2 44.7(6) . . ?
N7 Fe2 Na2 108.0(3) . . ?
O16 Fe2 Na2 124.4(6) 2_655 2_655 ?
O16 Fe2 Na2 46.9(6) . 2_655 ?
O25 Fe2 Na2 44.7(6) 2_655 2_655 ?
O25 Fe2 Na2 126.1(6) . 2_655 ?
N7 Fe2 Na2 108.0(3) . 2_655 ?
Na2 Fe2 Na2 144.1(5) . 2_655 ?
C1 N1 C3 103(3) . . ?
C1 N1 Fe1 128(3) . . ?
C3 N1 Fe1 129(3) . . ?
C2 N2 C3 111(5) . . ?
C11 N5 C9 110(3) . . ?
C11 N6 C13 111(4) . . ?
C7 N7 C7 111(8) . 2_655 ?
C7 N7 Fe2 124(4) . . ?
C7 N7 Fe2 124(4) 2_655 . ?
N1 C1 C2 116(4) . . ?
N2 C2 C1 104(4) . . ?
N2 C3 N1 106(4) . . ?
C8 C7 N7 108(7) . . ?
C7 C8 C8 105(5) . 2_655 ?
N5 C9 C13 105(4) . . ?
N5 C11 N6 109(4) . . ?
N6 C13 C9 105(4) . . ?
O3W Na1 O3W 87(2) . 2_655 ?
O3W Na1 O29 89.6(13) . . ?
O3W Na1 O29 144.7(13) 2_655 . ?
O3W Na1 O29 144.7(13) . 2_655 ?
O3W Na1 O29 89.6(13) 2_655 2_655 ?
O29 Na1 O29 112.1(10) . 2_655 ?
O3W Na1 O30 87.0(12) . 2_655 ?
O3W Na1 O30 147.8(13) 2_655 2_655 ?
O29 Na1 O30 66.9(6) . 2_655 ?
O29 Na1 O30 77.3(6) 2_655 2_655 ?
O3W Na1 O30 147.8(13) . . ?
O3W Na1 O30 87.0(12) 2_655 . ?
O29 Na1 O30 77.3(6) . . ?
O29 Na1 O30 66.9(6) 2_655 . ?
O30 Na1 O30 113.4(10) 2_655 . ?
O3W Na1 O9 85.0(13) . 2_655 ?
O3W Na1 O9 88.9(13) 2_655 2_655 ?
O29 Na1 O9 125.9(6) . 2_655 ?
O29 Na1 O9 59.8(5) 2_655 2_655 ?
O30 Na1 O9 59.1(5) 2_655 2_655 ?
O30 Na1 O9 126.5(6) . 2_655 ?
O3W Na1 O9 88.9(13) . . ?
O3W Na1 O9 85.0(13) 2_655 . ?
O29 Na1 O9 59.8(5) . . ?
O29 Na1 O9 125.9(6) 2_655 . ?
O30 Na1 O9 126.5(6) 2_655 . ?
O30 Na1 O9 59.1(5) . . ?
O9 Na1 O9 171.5(10) 2_655 . ?
O3W Na1 Fe1 175.9(13) . 2_655 ?
O3W Na1 Fe1 89.2(12) 2_655 2_655 ?
O29 Na1 Fe1 94.5(6) . 2_655 ?
O29 Na1 Fe1 33.2(4) 2_655 2_655 ?
O30 Na1 Fe1 94.9(6) 2_655 2_655 ?
O30 Na1 Fe1 33.7(4) . 2_655 ?
O9 Na1 Fe1 92.9(4) 2_655 2_655 ?
O9 Na1 Fe1 92.8(4) . 2_655 ?
O3W Na1 Fe1 89.2(12) . . ?
O3W Na1 Fe1 175.9(13) 2_655 . ?
O29 Na1 Fe1 33.2(4) . . ?
O29 Na1 Fe1 94.5(6) 2_655 . ?
O30 Na1 Fe1 33.7(4) 2_655 . ?
O30 Na1 Fe1 94.9(6) . . ?
O9 Na1 Fe1 92.8(4) 2_655 . ?
O9 Na1 Fe1 92.9(4) . . ?
Fe1 Na1 Fe1 94.4(4) 2_655 . ?
O3W Na1 W4 116.5(13) . 2_655 ?
O3W Na1 W4 81.9(12) 2_655 2_655 ?
O29 Na1 W4 130.0(7) . 2_655 ?
O29 Na1 W4 28.5(4) 2_655 2_655 ?
O30 Na1 W4 72.5(4) 2_655 2_655 ?
O30 Na1 W4 93.9(5) . 2_655 ?
O9 Na1 W4 32.8(3) 2_655 2_655 ?
O9 Na1 W4 150.6(3) . 2_655 ?
Fe1 Na1 W4 60.93(16) 2_655 2_655 ?
Fe1 Na1 W4 101.5(3) . 2_655 ?
O3W Na1 W4 81.9(12) . . ?
O3W Na1 W4 116.5(13) 2_655 . ?
O29 Na1 W4 28.5(4) . . ?
O29 Na1 W4 130.0(7) 2_655 . ?
O30 Na1 W4 93.9(5) 2_655 . ?
O30 Na1 W4 72.5(4) . . ?
O9 Na1 W4 150.6(3) 2_655 . ?
O9 Na1 W4 32.8(3) . . ?
Fe1 Na1 W4 101.5(3) 2_655 . ?
Fe1 Na1 W4 60.93(16) . . ?
W4 Na1 W4 155.7(5) 2_655 . ?
O1W Na2 O2W 85.5(16) . . ?
O1W Na2 O19 90.7(13) . 2_655 ?
O2W Na2 O19 149.1(14) . 2_655 ?
O1W Na2 O25 144.8(15) . . ?
O2W Na2 O25 82.7(13) . . ?
O19 Na2 O25 115.6(8) 2_655 . ?
O1W Na2 O31 91.2(13) . . ?
O2W Na2 O31 141.5(15) . . ?
O19 Na2 O31 69.1(7) 2_655 . ?
O25 Na2 O31 78.2(7) . . ?
O1W Na2 O16 141.8(15) . 2_655 ?
O2W Na2 O16 87.7(12) . 2_655 ?
O19 Na2 O16 76.5(7) 2_655 2_655 ?
O25 Na2 O16 70.8(7) . 2_655 ?
O31 Na2 O16 116.3(8) . 2_655 ?
O1W Na2 O1 86.8(13) . . ?
O2W Na2 O1 82.8(13) . . ?
O19 Na2 O1 127.7(8) 2_655 . ?
O25 Na2 O1 58.9(6) . . ?
O31 Na2 O1 58.7(7) . . ?
O16 Na2 O1 129.5(8) 2_655 . ?
O1W Na2 O24 84.8(14) . 2_655 ?
O2W Na2 O24 91.0(13) . 2_655 ?
O19 Na2 O24 58.1(7) 2_655 2_655 ?
O25 Na2 O24 128.4(8) . 2_655 ?
O31 Na2 O24 126.9(8) . 2_655 ?
O16 Na2 O24 57.8(6) 2_655 2_655 ?
O1 Na2 O24 169.9(7) . 2_655 ?
O1W Na2 Fe1 93.5(12) . 2_655 ?
O2W Na2 Fe1 175.8(13) . 2_655 ?
O19 Na2 Fe1 34.9(5) 2_655 2_655 ?
O25 Na2 Fe1 95.9(6) . 2_655 ?
O31 Na2 Fe1 34.4(5) . 2_655 ?
O16 Na2 Fe1 95.6(6) 2_655 2_655 ?
O1 Na2 Fe1 93.1(5) . 2_655 ?
O24 Na2 Fe1 92.9(5) 2_655 2_655 ?
O1W Na2 Fe2 170.5(13) . . ?
O2W Na2 Fe2 85.3(11) . . ?
O19 Na2 Fe2 96.0(6) 2_655 . ?
O25 Na2 Fe2 35.4(5) . . ?
O31 Na2 Fe2 97.4(6) . . ?
O16 Na2 Fe2 35.4(5) 2_655 . ?
O1 Na2 Fe2 94.3(5) . . ?
O24 Na2 Fe2 93.1(5) 2_655 . ?
Fe1 Na2 Fe2 95.9(4) 2_655 . ?
O1W Na2 W9 117.6(13) . . ?
O2W Na2 W9 75.6(12) . . ?
O19 Na2 W9 132.0(7) 2_655 . ?
O25 Na2 W9 27.1(5) . . ?
O31 Na2 W9 72.2(6) . . ?
O16 Na2 W9 96.8(6) 2_655 . ?
O1 Na2 W9 32.9(4) . . ?
O24 Na2 W9 152.1(6) 2_655 . ?
Fe1 Na2 W9 101.4(4) 2_655 . ?
Fe2 Na2 W9 62.0(2) . . ?
O1W Na2 W1 83.1(13) . . ?
O2W Na2 W1 114.7(13) . . ?
O19 Na2 W1 95.2(6) 2_655 . ?
O25 Na2 W1 72.2(6) . . ?
O31 Na2 W1 27.2(5) . . ?
O16 Na2 W1 133.3(6) 2_655 . ?
O1 Na2 W1 32.6(4) . . ?
O24 Na2 W1 150.5(6) 2_655 . ?
Fe1 Na2 W1 61.2(3) 2_655 . ?
Fe2 Na2 W1 102.9(4) . . ?
W9 Na2 W1 55.1(2) . . ?
C6 N4 C4 114(5) . . ?
N4 C4 C5 107(3) . . ?
N4 C4 C6 31(3) . . ?
C5 C4 C6 75(3) . . ?
N3 C5 C4 106(4) . . ?
C5 N3 C6 103(4) . . ?
N4 C6 N3 110(5) . . ?
N4 C6 C4 35(3) . . ?
N3 C6 C4 75(3) . . ?

_refine_diff_density_max         2.533
_refine_diff_density_min         -1.885
_refine_diff_density_rms         0.442

_shelxl_version_number           2014-3


_vrf_PLAT430_c2c                 
;
PROBLEM:Short Inter D...A Contact O5W .. O27 and O11.. 2.77 Ang.

RESPONSE: The structure contains a high degree of disorder.The H atoms of the water molecules could not be directly located due
to the presence of too many heavy atoms in the structures. This phenomenon is
very common in polyoxometalate chemistry. (such as Angew. Chem. Int. Ed,
2008, 47, 5609; J. Am. Chem. Soc, 2004, 126, 13880; Angew. Chem. Int. Ed,
2004, 43, 1817.)
;
_vrf_PLAT342_c2c                 
;
PROBLEM:Low Bond Precision on C-C Bonds ............... 0.05 Ang.

RESPONSE: The low bond distance precision is likely due to the low data to
parameter ratio. There is a large amount of disorder in the structure. (such
as Angew. Chem. Int. Ed, 2010, 49, 6984; Angew. Chem. Int. Ed, 2008, 47, 6881,
J. Am. Chem. Soc, 2004, 126, 13880. )
;
