#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:46:16 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178533 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/38/4063842.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_4063842
loop_
_publ_author_name
'Nied, Dominik'
'Oña-Burgos, Pascual'
'Klopper, Wim'
'Breher, Frank'
_publ_section_title
;
 Tuning the Gap: Electronic Properties and Radical-Type Reactivities of
 Heteronuclear [1.1.1]Propellanes of Heavier Group 14 Elements
;
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1419
_journal_paper_doi               10.1021/om100977z
_journal_volume                  30
_journal_year                    2011
_chemical_formula_moiety         'C74 H84 Fe2 S2 Si3 Sn2, 2(C7 H8)'
_chemical_formula_sum            'C88 H100 Fe2 S2 Si3 Sn2'
_chemical_formula_weight         1655.15
_chemical_name_systematic
;
[FcS(Sn2Si3Mes6)SFc]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_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_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.00(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.325(5)
_cell_length_b                   15.972(3)
_cell_length_c                   21.830(4)
_cell_measurement_reflns_used    28360
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      3.79
_cell_volume                     7735(3)
_computing_cell_refinement       'CrysAlis Red'
_computing_data_collection       'CrysAlis CCD'
_computing_data_reduction        'CrysAlis Red'
_computing_molecular_graphics    'Ortep 32'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Stoe Stadi with CCD'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0597
_diffrn_reflns_av_sigmaI/netI    0.0557
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            28360
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.79
_exptl_absorpt_coefficient_mu    1.152
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.421
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular shaped crystal'
_exptl_crystal_F_000             3416
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.35
_refine_diff_density_max         1.380
_refine_diff_density_min         -0.651
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     448
_refine_ls_number_reflns         7567
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0660
_refine_ls_R_factor_gt           0.0460
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0642P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1093
_refine_ls_wR_factor_ref         0.1214
_reflns_number_gt                5561
_reflns_number_total             7567
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om100977z_si_002.cif
_cod_data_source_block           compound_5
_cod_original_cell_volume        7734(3)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4063842
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Sn1 Sn 0.558672(11) 0.348636(17) 0.229779(12) 0.02718(10) Uani 1 1 d .
Si1 Si 0.5000 0.47956(10) 0.2500 0.0273(3) Uani 1 2 d S
Fe2 Fe 0.77046(3) 0.27549(4) 0.19239(4) 0.0500(2) Uani 1 1 d .
S2 S 0.64310(5) 0.37011(7) 0.18765(6) 0.0412(3) Uani 1 1 d .
Si4 Si 0.54513(5) 0.28258(7) 0.33496(5) 0.0290(2) Uani 1 1 d .
C10 C 0.69245(18) 0.2865(3) 0.2144(2) 0.0408(11) Uani 1 1 d .
C11 C 0.7422(2) 0.2863(5) 0.2711(3) 0.0723(19) Uani 1 1 d .
H11A H 0.7533 0.3321 0.3039 0.087 Uiso 1 1 calc R
C12 C 0.7730(3) 0.2118(6) 0.2731(5) 0.113(3) Uani 1 1 d .
H12A H 0.8105 0.1952 0.3078 0.135 Uiso 1 1 calc R
C13 C 0.7440(4) 0.1641(4) 0.2203(6) 0.110(4) Uani 1 1 d .
H13A H 0.7569 0.1074 0.2102 0.132 Uiso 1 1 calc R
C14 C 0.6929(2) 0.2115(3) 0.1802(3) 0.0725(18) Uani 1 1 d .
H14A H 0.6631 0.1935 0.1386 0.087 Uiso 1 1 calc R
C20 C 0.8038(2) 0.3865(3) 0.1757(3) 0.0559(13) Uani 1 1 d .
H20A H 0.7967 0.4417 0.1937 0.067 Uiso 1 1 calc R
C21 C 0.8511(2) 0.3297(3) 0.2049(3) 0.0573(14) Uani 1 1 d .
H21A H 0.8834 0.3380 0.2470 0.069 Uiso 1 1 calc R
C22 C 0.8454(2) 0.2614(3) 0.1643(3) 0.0543(13) Uani 1 1 d .
H22A H 0.8724 0.2112 0.1724 0.065 Uiso 1 1 calc R
C23 C 0.7944(3) 0.2742(4) 0.1102(3) 0.0640(15) Uani 1 1 d .
H23A H 0.7789 0.2348 0.0732 0.077 Uiso 1 1 calc R
C24 C 0.7690(2) 0.3521(3) 0.1174(3) 0.0604(15) Uani 1 1 d .
H24A H 0.7324 0.3779 0.0864 0.072 Uiso 1 1 calc R
C100 C 0.54512(17) 0.1648(2) 0.34351(19) 0.0317(9) Uani 1 1 d .
C101 C 0.5155(2) 0.1312(3) 0.3857(2) 0.0405(11) Uani 1 1 d .
C102 C 0.5133(2) 0.0456(3) 0.3938(3) 0.0567(13) Uani 1 1 d .
H10A H 0.4936 0.0245 0.4227 0.068 Uiso 1 1 calc R
C103 C 0.5388(3) -0.0106(3) 0.3615(3) 0.0630(15) Uani 1 1 d .
C104 C 0.5672(2) 0.0226(3) 0.3202(2) 0.0541(13) Uani 1 1 d .
H10B H 0.5845 -0.0148 0.2971 0.065 Uiso 1 1 calc R
C105 C 0.57163(18) 0.1071(3) 0.3110(2) 0.0394(10) Uani 1 1 d .
C106 C 0.4850(2) 0.1856(3) 0.4222(2) 0.0453(11) Uani 1 1 d .
H10C H 0.4641 0.1503 0.4454 0.068 Uiso 1 1 calc R
H10D H 0.4557 0.2220 0.3921 0.068 Uiso 1 1 calc R
H10E H 0.5152 0.2201 0.4531 0.068 Uiso 1 1 calc R
C107 C 0.5347(3) -0.1035(4) 0.3706(4) 0.103(3) Uani 1 1 d .
H10F H 0.5749 -0.1284 0.3803 0.154 Uiso 1 1 calc R
H10G H 0.5079 -0.1284 0.3310 0.154 Uiso 1 1 calc R
H10H H 0.5186 -0.1142 0.4063 0.154 Uiso 1 1 calc R
C108 C 0.6045(2) 0.1331(3) 0.2648(2) 0.0448(11) Uani 1 1 d .
H10I H 0.6295 0.0865 0.2585 0.067 Uiso 1 1 calc R
H10J H 0.6303 0.1814 0.2824 0.067 Uiso 1 1 calc R
H10K H 0.5753 0.1483 0.2234 0.067 Uiso 1 1 calc R
C200 C 0.59098(18) 0.3333(3) 0.41350(18) 0.0312(9) Uani 1 1 d .
C201 C 0.56753(19) 0.3826(3) 0.45340(19) 0.0361(10) Uani 1 1 d .
C202 C 0.6054(2) 0.4143(3) 0.51070(19) 0.0396(10) Uani 1 1 d .
H20B H 0.5885 0.4465 0.5374 0.047 Uiso 1 1 calc R
C203 C 0.6667(2) 0.4008(3) 0.5303(2) 0.0436(11) Uani 1 1 d .
C204 C 0.6899(2) 0.3528(3) 0.4905(2) 0.0424(11) Uani 1 1 d .
H20C H 0.7322 0.3437 0.5027 0.051 Uiso 1 1 calc R
C205 C 0.65398(18) 0.3180(3) 0.43394(19) 0.0365(10) Uani 1 1 d .
C206 C 0.50184(18) 0.4065(3) 0.43601(19) 0.0379(10) Uani 1 1 d .
H20D H 0.4922 0.4220 0.4751 0.057 Uiso 1 1 calc R
H20E H 0.4768 0.3589 0.4153 0.057 Uiso 1 1 calc R
H20F H 0.4939 0.4542 0.4063 0.057 Uiso 1 1 calc R
C207 C 0.7075(2) 0.4363(4) 0.5922(2) 0.0641(15) Uani 1 1 d .
H20G H 0.6838 0.4708 0.6127 0.096 Uiso 1 1 calc R
H20H H 0.7386 0.4710 0.5830 0.096 Uiso 1 1 calc R
H20I H 0.7267 0.3905 0.6211 0.096 Uiso 1 1 calc R
C208 C 0.68344(19) 0.2665(3) 0.3945(2) 0.0438(11) Uani 1 1 d .
H20J H 0.7273 0.2697 0.4134 0.066 Uiso 1 1 calc R
H20K H 0.6717 0.2880 0.3503 0.066 Uiso 1 1 calc R
H20L H 0.6705 0.2080 0.3941 0.066 Uiso 1 1 calc R
C300 C 0.53710(17) 0.5464(2) 0.32378(18) 0.0286(8) Uani 1 1 d .
C301 C 0.49969(18) 0.5988(3) 0.34678(18) 0.0332(9) Uani 1 1 d .
C302 C 0.5234(2) 0.6475(3) 0.40162(19) 0.0367(10) Uani 1 1 d .
H30A H 0.4974 0.6831 0.4158 0.044 Uiso 1 1 calc R
C303 C 0.5841(2) 0.6451(3) 0.4358(2) 0.0390(10) Uani 1 1 d .
C304 C 0.62027(19) 0.5933(3) 0.41352(18) 0.0368(10) Uani 1 1 d .
H30B H 0.6619 0.5904 0.4372 0.044 Uiso 1 1 calc R
C305 C 0.59930(17) 0.5449(3) 0.35833(17) 0.0308(9) Uani 1 1 d .
C306 C 0.43252(19) 0.6033(3) 0.3147(2) 0.0460(11) Uani 1 1 d .
H30C H 0.4146 0.6414 0.3389 0.069 Uiso 1 1 calc R
H30D H 0.4150 0.5474 0.3137 0.069 Uiso 1 1 calc R
H30E H 0.4243 0.6240 0.2705 0.069 Uiso 1 1 calc R
C307 C 0.6096(2) 0.6984(3) 0.4950(2) 0.0537(13) Uani 1 1 d .
H30F H 0.6470 0.7250 0.4934 0.081 Uiso 1 1 calc R
H30G H 0.6182 0.6631 0.5336 0.081 Uiso 1 1 calc R
H30H H 0.5803 0.7416 0.4966 0.081 Uiso 1 1 calc R
C308 C 0.64511(17) 0.4965(3) 0.3379(2) 0.0371(10) Uani 1 1 d .
H30I H 0.6856 0.5119 0.3651 0.056 Uiso 1 1 calc R
H30J H 0.6410 0.5094 0.2928 0.056 Uiso 1 1 calc R
H30K H 0.6388 0.4364 0.3423 0.056 Uiso 1 1 calc R
C93 C 0.6502(4) 0.0090(5) 0.6011(4) 0.106(3) Uani 1 1 d .
H93A H 0.6586 -0.0451 0.6199 0.128 Uiso 1 1 calc R
C94 C 0.6290(5) 0.0698(5) 0.6315(4) 0.138(4) Uani 1 1 d .
H94A H 0.6217 0.0569 0.6709 0.165 Uiso 1 1 calc R
C95 C 0.6178(4) 0.1492(5) 0.6074(4) 0.102(3) Uani 1 1 d .
H95A H 0.6030 0.1911 0.6295 0.123 Uiso 1 1 calc R
C96 C 0.6278(3) 0.1657(6) 0.5538(4) 0.097(3) Uani 1 1 d .
H96A H 0.6218 0.2212 0.5375 0.117 Uiso 1 1 calc R
C97 C 0.6471(3) 0.1045(6) 0.5192(4) 0.097(2) Uani 1 1 d .
H97A H 0.6516 0.1181 0.4786 0.116 Uiso 1 1 calc R
C98 C 0.6597(3) 0.0253(5) 0.5428(4) 0.091(2) Uani 1 1 d .
C99 C 0.6807(4) -0.0405(7) 0.5086(5) 0.152(4) Uani 1 1 d .
H99A H 0.7191 -0.0237 0.5029 0.228 Uiso 1 1 calc R
H99B H 0.6508 -0.0495 0.4663 0.228 Uiso 1 1 calc R
H99C H 0.6863 -0.0925 0.5336 0.228 Uiso 1 1 calc R
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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 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
S2 Sn1 Si1 118.50(4) . .
S2 Sn1 Si4 124.90(4) . 2_655
Si1 Sn1 Si4 88.19(3) . 2_655
S2 Sn1 Si4 135.47(4) . .
Si1 Sn1 Si4 87.88(3) . .
Si4 Sn1 Si4 88.23(5) 2_655 .
S2 Sn1 Sn1 170.17(3) . 2_655
Si1 Sn1 Sn1 53.23(2) . 2_655
Si4 Sn1 Sn1 53.70(3) 2_655 2_655
Si4 Sn1 Sn1 53.27(3) . 2_655
C300 Si1 C300 111.8(2) 2_655 .
C300 Si1 Sn1 117.87(12) 2_655 2_655
C300 Si1 Sn1 115.55(12) . 2_655
C300 Si1 Sn1 115.55(12) 2_655 .
C300 Si1 Sn1 117.87(12) . .
Sn1 Si1 Sn1 73.53(4) 2_655 .
C21 Fe2 C20 41.3(2) . .
C21 Fe2 C12 108.9(3) . .
C20 Fe2 C12 133.8(4) . .
C21 Fe2 C14 175.1(2) . .
C20 Fe2 C14 143.2(2) . .
C12 Fe2 C14 69.2(3) . .
C21 Fe2 C10 143.2(2) . .
C20 Fe2 C10 113.03(19) . .
C12 Fe2 C10 67.9(2) . .
C14 Fe2 C10 40.82(19) . .
C21 Fe2 C11 112.6(2) . .
C20 Fe2 C11 108.8(3) . .
C12 Fe2 C11 40.0(3) . .
C14 Fe2 C11 69.1(3) . .
C10 Fe2 C11 40.70(18) . .
C21 Fe2 C24 68.5(2) . .
C20 Fe2 C24 40.2(2) . .
C12 Fe2 C24 173.3(4) . .
C14 Fe2 C24 114.0(3) . .
C10 Fe2 C24 110.2(2) . .
C11 Fe2 C24 134.5(3) . .
C21 Fe2 C22 40.0(2) . .
C20 Fe2 C22 68.1(2) . .
C12 Fe2 C22 114.3(2) . .
C14 Fe2 C22 136.1(2) . .
C10 Fe2 C22 176.1(2) . .
C11 Fe2 C22 143.0(2) . .
C24 Fe2 C22 68.1(2) . .
C21 Fe2 C13 133.8(3) . .
C20 Fe2 C13 173.0(4) . .
C12 Fe2 C13 39.6(3) . .
C14 Fe2 C13 42.0(3) . .
C10 Fe2 C13 68.2(2) . .
C11 Fe2 C13 67.2(3) . .
C24 Fe2 C13 146.5(4) . .
C22 Fe2 C13 111.2(2) . .
C21 Fe2 C23 67.9(2) . .
C20 Fe2 C23 67.8(2) . .
C12 Fe2 C23 145.2(3) . .
C14 Fe2 C23 110.9(3) . .
C10 Fe2 C23 136.0(2) . .
C11 Fe2 C23 174.7(2) . .
C24 Fe2 C23 40.4(2) . .
C22 Fe2 C23 40.4(2) . .
C13 Fe2 C23 116.5(3) . .
C10 S2 Sn1 107.03(14) . .
C100 Si4 C200 110.63(17) . .
C100 Si4 Sn1 115.21(13) . 2_655
C200 Si4 Sn1 118.97(13) . 2_655
C100 Si4 Sn1 119.24(13) . .
C200 Si4 Sn1 115.51(13) . .
Sn1 Si4 Sn1 73.02(4) 2_655 .
C11 C10 C14 108.9(5) . .
C11 C10 S2 125.0(4) . .
C14 C10 S2 125.8(4) . .
C11 C10 Fe2 69.7(3) . .
C14 C10 Fe2 69.4(3) . .
S2 C10 Fe2 122.4(2) . .
C12 C11 C10 107.9(7) . .
C12 C11 Fe2 69.6(4) . .
C10 C11 Fe2 69.6(3) . .
C12 C11 H11A 126.0 . .
C10 C11 H11A 126.0 . .
Fe2 C11 H11A 126.0 . .
C13 C12 C11 109.5(7) . .
C13 C12 Fe2 71.0(5) . .
C11 C12 Fe2 70.4(4) . .
C13 C12 H12A 125.2 . .
C11 C12 H12A 125.2 . .
Fe2 C12 H12A 125.2 . .
C12 C13 C14 108.4(6) . .
C12 C13 Fe2 69.5(4) . .
C14 C13 Fe2 68.4(3) . .
C12 C13 H13A 125.8 . .
C14 C13 H13A 125.8 . .
Fe2 C13 H13A 125.8 . .
C10 C14 C13 105.2(6) . .
C10 C14 Fe2 69.8(3) . .
C13 C14 Fe2 69.6(3) . .
C10 C14 H14A 127.3 . .
C13 C14 H14A 127.3 . .
Fe2 C14 H14A 127.3 . .
C24 C20 C21 108.1(5) . .
C24 C20 Fe2 70.8(3) . .
C21 C20 Fe2 69.3(3) . .
C24 C20 H20A 125.9 . .
C21 C20 H20A 125.9 . .
Fe2 C20 H20A 125.9 . .
C22 C21 C20 107.9(5) . .
C22 C21 Fe2 70.9(3) . .
C20 C21 Fe2 69.4(3) . .
C22 C21 H21A 126.0 . .
C20 C21 H21A 126.0 . .
Fe2 C21 H21A 126.0 . .
C21 C22 C23 108.2(5) . .
C21 C22 Fe2 69.0(3) . .
C23 C22 Fe2 69.9(3) . .
C21 C22 H22A 125.9 . .
C23 C22 H22A 125.9 . .
Fe2 C22 H22A 125.9 . .
C24 C23 C22 108.1(5) . .
C24 C23 Fe2 69.7(3) . .
C22 C23 Fe2 69.7(3) . .
C24 C23 H23A 126.0 . .
C22 C23 H23A 126.0 . .
Fe2 C23 H23A 126.0 . .
C20 C24 C23 107.7(5) . .
C20 C24 Fe2 69.0(3) . .
C23 C24 Fe2 69.9(3) . .
C20 C24 H24A 126.2 . .
C23 C24 H24A 126.2 . .
Fe2 C24 H24A 126.2 . .
C101 C100 C105 117.1(4) . .
C101 C100 Si4 117.1(3) . .
C105 C100 Si4 125.7(3) . .
C102 C101 C100 120.2(4) . .
C102 C101 C106 117.6(4) . .
C100 C101 C106 122.2(4) . .
C101 C102 C103 122.5(5) . .
C101 C102 H10A 118.7 . .
C103 C102 H10A 118.7 . .
C104 C103 C102 116.8(5) . .
C104 C103 C107 122.0(5) . .
C102 C103 C107 121.2(5) . .
C105 C104 C103 123.3(5) . .
C105 C104 H10B 118.4 . .
C103 C104 H10B 118.4 . .
C104 C105 C100 120.0(4) . .
C104 C105 C108 116.6(4) . .
C100 C105 C108 123.4(4) . .
C101 C106 H10C 109.5 . .
C101 C106 H10D 109.5 . .
H10C C106 H10D 109.5 . .
C101 C106 H10E 109.5 . .
H10C C106 H10E 109.5 . .
H10D C106 H10E 109.5 . .
C103 C107 H10F 109.5 . .
C103 C107 H10G 109.5 . .
H10F C107 H10G 109.5 . .
C103 C107 H10H 109.5 . .
H10F C107 H10H 109.5 . .
H10G C107 H10H 109.5 . .
C105 C108 H10I 109.5 . .
C105 C108 H10J 109.5 . .
H10I C108 H10J 109.5 . .
C105 C108 H10K 109.5 . .
H10I C108 H10K 109.5 . .
H10J C108 H10K 109.5 . .
C201 C200 C205 117.7(4) . .
C201 C200 Si4 125.5(3) . .
C205 C200 Si4 116.8(3) . .
C202 C201 C200 120.2(4) . .
C202 C201 C206 116.7(4) . .
C200 C201 C206 123.1(4) . .
C203 C202 C201 122.3(4) . .
C203 C202 H20B 118.8 . .
C201 C202 H20B 118.8 . .
C202 C203 C204 117.4(4) . .
C202 C203 C207 121.8(5) . .
C204 C203 C207 120.7(4) . .
C205 C204 C203 122.5(4) . .
C205 C204 H20C 118.7 . .
C203 C204 H20C 118.7 . .
C204 C205 C200 119.8(4) . .
C204 C205 C208 118.4(4) . .
C200 C205 C208 121.8(4) . .
C201 C206 H20D 109.5 . .
C201 C206 H20E 109.5 . .
H20D C206 H20E 109.5 . .
C201 C206 H20F 109.5 . .
H20D C206 H20F 109.5 . .
H20E C206 H20F 109.5 . .
C203 C207 H20G 109.5 . .
C203 C207 H20H 109.5 . .
H20G C207 H20H 109.5 . .
C203 C207 H20I 109.5 . .
H20G C207 H20I 109.5 . .
H20H C207 H20I 109.5 . .
C205 C208 H20J 109.5 . .
C205 C208 H20K 109.5 . .
H20J C208 H20K 109.5 . .
C205 C208 H20L 109.5 . .
H20J C208 H20L 109.5 . .
H20K C208 H20L 109.5 . .
C301 C300 C305 117.8(3) . .
C301 C300 Si1 117.7(3) . .
C305 C300 Si1 124.4(3) . .
C302 C301 C300 120.9(4) . .
C302 C301 C306 117.0(4) . .
C300 C301 C306 122.1(4) . .
C303 C302 C301 121.2(4) . .
C303 C302 H30A 119.4 . .
C301 C302 H30A 119.4 . .
C304 C303 C302 117.7(4) . .
C304 C303 C307 121.3(4) . .
C302 C303 C307 121.0(4) . .
C303 C304 C305 123.5(4) . .
C303 C304 H30B 118.2 . .
C305 C304 H30B 118.2 . .
C304 C305 C300 118.8(4) . .
C304 C305 C308 117.0(4) . .
C300 C305 C308 124.1(3) . .
C301 C306 H30C 109.5 . .
C301 C306 H30D 109.5 . .
H30C C306 H30D 109.5 . .
C301 C306 H30E 109.5 . .
H30C C306 H30E 109.5 . .
H30D C306 H30E 109.5 . .
C303 C307 H30F 109.5 . .
C303 C307 H30G 109.5 . .
H30F C307 H30G 109.5 . .
C303 C307 H30H 109.5 . .
H30F C307 H30H 109.5 . .
H30G C307 H30H 109.5 . .
C305 C308 H30I 109.5 . .
C305 C308 H30J 109.5 . .
H30I C308 H30J 109.5 . .
C305 C308 H30K 109.5 . .
H30I C308 H30K 109.5 . .
H30J C308 H30K 109.5 . .
C94 C93 C98 120.2(7) . .
C94 C93 H93A 119.9 . .
C98 C93 H93A 119.9 . .
C93 C94 C95 122.2(8) . .
C93 C94 H94A 118.9 . .
C95 C94 H94A 118.9 . .
C96 C95 C94 118.1(9) . .
C96 C95 H95A 120.9 . .
C94 C95 H95A 120.9 . .
C95 C96 C97 122.0(8) . .
C95 C96 H96A 119.0 . .
C97 C96 H96A 119.0 . .
C98 C97 C96 120.9(8) . .
C98 C97 H97A 119.6 . .
C96 C97 H97A 119.6 . .
C97 C98 C93 116.5(8) . .
C97 C98 C99 122.8(9) . .
C93 C98 C99 120.7(9) . .
C98 C99 H99A 109.5 . .
C98 C99 H99B 109.5 . .
H99A C99 H99B 109.5 . .
C98 C99 H99C 109.5 . .
H99A C99 H99C 109.5 . .
H99B C99 H99C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 S2 2.4414(12) .
Sn1 Si1 2.6103(13) .
Sn1 Si4 2.6186(13) 2_655
Sn1 Si4 2.6332(12) .
Sn1 Sn1 3.1248(8) 2_655
Si1 C300 1.903(4) 2_655
Si1 C300 1.903(4) .
Si1 Sn1 2.6103(13) 2_655
Fe2 C21 2.012(5) .
Fe2 C20 2.013(5) .
Fe2 C12 2.019(7) .
Fe2 C14 2.022(5) .
Fe2 C10 2.027(4) .
Fe2 C11 2.029(5) .
Fe2 C24 2.036(5) .
Fe2 C22 2.036(5) .
Fe2 C13 2.038(6) .
Fe2 C23 2.039(5) .
S2 C10 1.742(4) .
Si4 C100 1.891(4) .
Si4 C200 1.899(4) .
Si4 Sn1 2.6186(13) 2_655
C10 C11 1.411(7) .
C10 C14 1.412(7) .
C11 C12 1.384(10) .
C11 H11A 1.0000 .
C12 C13 1.373(11) .
C12 H12A 1.0000 .
C13 C14 1.455(10) .
C13 H13A 1.0000 .
C14 H14A 1.0000 .
C20 C24 1.393(7) .
C20 C21 1.419(7) .
C20 H20A 1.0000 .
C21 C22 1.385(7) .
C21 H21A 1.0000 .
C22 C23 1.409(7) .
C22 H22A 1.0000 .
C23 C24 1.408(7) .
C23 H23A 1.0000 .
C24 H24A 1.0000 .
C100 C101 1.415(6) .
C100 C105 1.416(6) .
C101 C102 1.381(6) .
C101 C106 1.501(6) .
C102 C103 1.385(7) .
C102 H10A 0.9500 .
C103 C104 1.377(7) .
C103 C107 1.504(7) .
C104 C105 1.373(6) .
C104 H10B 0.9500 .
C105 C108 1.502(6) .
C106 H10C 0.9800 .
C106 H10D 0.9800 .
C106 H10E 0.9800 .
C107 H10F 0.9800 .
C107 H10G 0.9800 .
C107 H10H 0.9800 .
C108 H10I 0.9800 .
C108 H10J 0.9800 .
C108 H10K 0.9800 .
C200 C201 1.405(6) .
C200 C205 1.418(6) .
C201 C202 1.385(6) .
C201 C206 1.509(6) .
C202 C203 1.377(6) .
C202 H20B 0.9500 .
C203 C204 1.387(6) .
C203 C207 1.503(6) .
C204 C205 1.376(6) .
C204 H20C 0.9500 .
C205 C208 1.502(6) .
C206 H20D 0.9800 .
C206 H20E 0.9800 .
C206 H20F 0.9800 .
C207 H20G 0.9800 .
C207 H20H 0.9800 .
C207 H20I 0.9800 .
C208 H20J 0.9800 .
C208 H20K 0.9800 .
C208 H20L 0.9800 .
C300 C301 1.409(5) .
C300 C305 1.414(5) .
C301 C302 1.391(5) .
C301 C306 1.507(6) .
C302 C303 1.381(6) .
C302 H30A 0.9500 .
C303 C304 1.374(6) .
C303 C307 1.509(6) .
C304 C305 1.387(5) .
C304 H30B 0.9500 .
C305 C308 1.494(5) .
C306 H30C 0.9800 .
C306 H30D 0.9800 .
C306 H30E 0.9800 .
C307 H30F 0.9800 .
C307 H30G 0.9800 .
C307 H30H 0.9800 .
C308 H30I 0.9800 .
C308 H30J 0.9800 .
C308 H30K 0.9800 .
C93 C94 1.353(11) .
C93 C98 1.382(9) .
C93 H93A 0.9500 .
C94 C95 1.368(10) .
C94 H94A 0.9500 .
C95 C96 1.288(10) .
C95 H95A 0.9500 .
C96 C97 1.392(11) .
C96 H96A 0.9500 .
C97 C98 1.364(10) .
C97 H97A 0.9500 .
C98 C99 1.460(11) .
C99 H99A 0.9800 .
C99 H99B 0.9800 .
C99 H99C 0.9800 .
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
S2 Sn1 Si1 C300 60.14(14) . 2_655
Si4 Sn1 Si1 C300 -69.22(14) 2_655 2_655
Si4 Sn1 Si1 C300 -157.52(14) . 2_655
Sn1 Sn1 Si1 C300 -113.52(13) 2_655 2_655
S2 Sn1 Si1 C300 -75.70(14) . .
Si4 Sn1 Si1 C300 154.93(14) 2_655 .
Si4 Sn1 Si1 C300 66.64(14) . .
Sn1 Sn1 Si1 C300 110.64(14) 2_655 .
S2 Sn1 Si1 Sn1 173.66(4) . 2_655
Si4 Sn1 Si1 Sn1 44.30(3) 2_655 2_655
Si4 Sn1 Si1 Sn1 -44.00(3) . 2_655
Si1 Sn1 S2 C10 152.41(17) . .
Si4 Sn1 S2 C10 -98.02(18) 2_655 .
Si4 Sn1 S2 C10 32.93(19) . .
S2 Sn1 Si4 C100 -76.14(15) . .
Si1 Sn1 Si4 C100 153.82(14) . .
Si4 Sn1 Si4 C100 65.56(14) 2_655 .
Sn1 Sn1 Si4 C100 109.84(15) 2_655 .
S2 Sn1 Si4 C200 59.46(16) . .
Si1 Sn1 Si4 C200 -70.58(14) . .
Si4 Sn1 Si4 C200 -158.83(14) 2_655 .
Sn1 Sn1 Si4 C200 -114.55(15) 2_655 .
S2 Sn1 Si4 Sn1 174.01(4) . 2_655
Si1 Sn1 Si4 Sn1 43.97(2) . 2_655
Si4 Sn1 Si4 Sn1 -44.28(4) 2_655 2_655
Sn1 S2 C10 C11 -93.0(4) . .
Sn1 S2 C10 C14 93.5(4) . .
Sn1 S2 C10 Fe2 -179.7(2) . .
C21 Fe2 C10 C11 -55.1(5) . .
C20 Fe2 C10 C11 -92.5(4) . .
C12 Fe2 C10 C11 37.2(5) . .
C14 Fe2 C10 C11 120.5(5) . .
C24 Fe2 C10 C11 -135.8(4) . .
C13 Fe2 C10 C11 80.0(5) . .
C23 Fe2 C10 C11 -173.9(4) . .
C21 Fe2 C10 C14 -175.6(4) . .
C20 Fe2 C10 C14 147.0(4) . .
C12 Fe2 C10 C14 -83.2(5) . .
C11 Fe2 C10 C14 -120.5(5) . .
C24 Fe2 C10 C14 103.7(4) . .
C13 Fe2 C10 C14 -40.4(5) . .
C23 Fe2 C10 C14 65.6(5) . .
C21 Fe2 C10 S2 64.2(5) . .
C20 Fe2 C10 S2 26.9(4) . .
C12 Fe2 C10 S2 156.6(5) . .
C14 Fe2 C10 S2 -120.1(5) . .
C11 Fe2 C10 S2 119.4(5) . .
C24 Fe2 C10 S2 -16.5(4) . .
C13 Fe2 C10 S2 -160.6(5) . .
C23 Fe2 C10 S2 -54.5(4) . .
C14 C10 C11 C12 -0.8(6) . .
S2 C10 C11 C12 -175.3(4) . .
Fe2 C10 C11 C12 -59.3(4) . .
C14 C10 C11 Fe2 58.5(3) . .
S2 C10 C11 Fe2 -116.0(3) . .
C21 Fe2 C11 C12 -92.9(5) . .
C20 Fe2 C11 C12 -137.0(5) . .
C14 Fe2 C11 C12 82.1(5) . .
C10 Fe2 C11 C12 119.2(6) . .
C24 Fe2 C11 C12 -174.4(5) . .
C22 Fe2 C11 C12 -58.7(7) . .
C13 Fe2 C11 C12 36.8(5) . .
C21 Fe2 C11 C10 147.8(3) . .
C20 Fe2 C11 C10 103.7(3) . .
C12 Fe2 C11 C10 -119.2(6) . .
C14 Fe2 C11 C10 -37.1(3) . .
C24 Fe2 C11 C10 66.4(5) . .
C22 Fe2 C11 C10 -177.9(3) . .
C13 Fe2 C11 C10 -82.5(4) . .
C10 C11 C12 C13 -1.2(7) . .
Fe2 C11 C12 C13 -60.4(5) . .
C10 C11 C12 Fe2 59.2(4) . .
C21 Fe2 C12 C13 -137.2(4) . .
C20 Fe2 C12 C13 -176.7(4) . .
C14 Fe2 C12 C13 38.0(4) . .
C10 Fe2 C12 C13 82.0(4) . .
C11 Fe2 C12 C13 119.9(6) . .
C22 Fe2 C12 C13 -94.4(4) . .
C23 Fe2 C12 C13 -59.0(7) . .
C21 Fe2 C12 C11 102.9(4) . .
C20 Fe2 C12 C11 63.4(5) . .
C14 Fe2 C12 C11 -81.9(4) . .
C10 Fe2 C12 C11 -37.9(4) . .
C22 Fe2 C12 C11 145.7(4) . .
C13 Fe2 C12 C11 -119.9(6) . .
C23 Fe2 C12 C11 -178.9(4) . .
C11 C12 C13 C14 2.6(8) . .
Fe2 C12 C13 C14 -57.4(5) . .
C11 C12 C13 Fe2 60.1(5) . .
C21 Fe2 C13 C12 62.9(6) . .
C14 Fe2 C13 C12 -120.7(6) . .
C10 Fe2 C13 C12 -81.3(4) . .
C11 Fe2 C13 C12 -37.2(4) . .
C24 Fe2 C13 C12 -175.2(4) . .
C22 Fe2 C13 C12 102.8(5) . .
C23 Fe2 C13 C12 146.9(4) . .
C21 Fe2 C13 C14 -176.5(4) . .
C12 Fe2 C13 C14 120.7(6) . .
C10 Fe2 C13 C14 39.3(4) . .
C11 Fe2 C13 C14 83.5(4) . .
C24 Fe2 C13 C14 -54.5(6) . .
C22 Fe2 C13 C14 -136.5(4) . .
C23 Fe2 C13 C14 -92.4(4) . .
C11 C10 C14 C13 2.3(5) . .
S2 C10 C14 C13 176.7(4) . .
Fe2 C10 C14 C13 61.0(4) . .
C11 C10 C14 Fe2 -58.7(3) . .
S2 C10 C14 Fe2 115.8(3) . .
C12 C13 C14 C10 -3.0(7) . .
Fe2 C13 C14 C10 -61.1(4) . .
C12 C13 C14 Fe2 58.1(5) . .
C20 Fe2 C14 C10 -56.8(5) . .
C12 Fe2 C14 C10 79.9(4) . .
C11 Fe2 C14 C10 37.0(3) . .
C24 Fe2 C14 C10 -93.6(4) . .
C22 Fe2 C14 C10 -176.3(3) . .
C13 Fe2 C14 C10 115.8(6) . .
C23 Fe2 C14 C10 -137.4(3) . .
C20 Fe2 C14 C13 -172.6(5) . .
C12 Fe2 C14 C13 -35.9(5) . .
C10 Fe2 C14 C13 -115.8(6) . .
C11 Fe2 C14 C13 -78.8(5) . .
C24 Fe2 C14 C13 150.6(5) . .
C22 Fe2 C14 C13 67.9(6) . .
C23 Fe2 C14 C13 106.8(5) . .
C21 Fe2 C20 C24 119.0(5) . .
C12 Fe2 C20 C24 -175.3(4) . .
C14 Fe2 C20 C24 -58.0(5) . .
C10 Fe2 C20 C24 -94.5(3) . .
C11 Fe2 C20 C24 -138.0(3) . .
C22 Fe2 C20 C24 81.5(3) . .
C23 Fe2 C20 C24 37.7(3) . .
C12 Fe2 C20 C21 65.7(5) . .
C14 Fe2 C20 C21 -177.0(4) . .
C10 Fe2 C20 C21 146.6(3) . .
C11 Fe2 C20 C21 103.1(3) . .
C24 Fe2 C20 C21 -119.0(5) . .
C22 Fe2 C20 C21 -37.5(3) . .
C23 Fe2 C20 C21 -81.3(3) . .
C24 C20 C21 C22 0.4(6) . .
Fe2 C20 C21 C22 60.8(3) . .
C24 C20 C21 Fe2 -60.4(4) . .
C20 Fe2 C21 C22 -118.6(5) . .
C12 Fe2 C21 C22 105.5(4) . .
C10 Fe2 C21 C22 -176.4(3) . .
C11 Fe2 C21 C22 148.2(3) . .
C24 Fe2 C21 C22 -81.1(4) . .
C13 Fe2 C21 C22 68.7(6) . .
C23 Fe2 C21 C22 -37.4(3) . .
C12 Fe2 C21 C20 -136.0(4) . .
C10 Fe2 C21 C20 -57.8(5) . .
C11 Fe2 C21 C20 -93.2(4) . .
C24 Fe2 C21 C20 37.4(3) . .
C22 Fe2 C21 C20 118.6(5) . .
C13 Fe2 C21 C20 -172.8(5) . .
C23 Fe2 C21 C20 81.1(3) . .
C20 C21 C22 C23 -0.7(6) . .
Fe2 C21 C22 C23 59.1(4) . .
C20 C21 C22 Fe2 -59.8(3) . .
C20 Fe2 C22 C21 38.7(3) . .
C12 Fe2 C22 C21 -90.9(5) . .
C14 Fe2 C22 C21 -175.5(4) . .
C11 Fe2 C22 C21 -53.9(6) . .
C24 Fe2 C22 C21 82.2(4) . .
C13 Fe2 C22 C21 -133.9(5) . .
C23 Fe2 C22 C21 119.7(5) . .
C21 Fe2 C22 C23 -119.7(5) . .
C20 Fe2 C22 C23 -81.1(4) . .
C12 Fe2 C22 C23 149.3(5) . .
C14 Fe2 C22 C23 64.8(5) . .
C11 Fe2 C22 C23 -173.7(4) . .
C24 Fe2 C22 C23 -37.5(3) . .
C13 Fe2 C22 C23 106.4(5) . .
C21 C22 C23 C24 0.7(6) . .
Fe2 C22 C23 C24 59.3(4) . .
C21 C22 C23 Fe2 -58.6(3) . .
C21 Fe2 C23 C24 -82.3(4) . .
C20 Fe2 C23 C24 -37.5(3) . .
C12 Fe2 C23 C24 -174.0(6) . .
C14 Fe2 C23 C24 102.8(4) . .
C10 Fe2 C23 C24 63.2(4) . .
C22 Fe2 C23 C24 -119.3(5) . .
C13 Fe2 C23 C24 148.5(4) . .
C21 Fe2 C23 C22 37.1(3) . .
C20 Fe2 C23 C22 81.8(3) . .
C12 Fe2 C23 C22 -54.6(7) . .
C14 Fe2 C23 C22 -137.9(3) . .
C10 Fe2 C23 C22 -177.5(3) . .
C24 Fe2 C23 C22 119.3(5) . .
C13 Fe2 C23 C22 -92.2(4) . .
C21 C20 C24 C23 0.0(6) . .
Fe2 C20 C24 C23 -59.4(4) . .
C21 C20 C24 Fe2 59.5(3) . .
C22 C23 C24 C20 -0.5(6) . .
Fe2 C23 C24 C20 58.8(4) . .
C22 C23 C24 Fe2 -59.3(4) . .
C21 Fe2 C24 C20 -38.4(3) . .
C14 Fe2 C24 C20 146.2(3) . .
C10 Fe2 C24 C20 102.2(3) . .
C11 Fe2 C24 C20 62.6(4) . .
C22 Fe2 C24 C20 -81.6(3) . .
C13 Fe2 C24 C20 -177.2(4) . .
C23 Fe2 C24 C20 -119.1(5) . .
C21 Fe2 C24 C23 80.8(4) . .
C20 Fe2 C24 C23 119.1(5) . .
C14 Fe2 C24 C23 -94.6(4) . .
C10 Fe2 C24 C23 -138.7(3) . .
C11 Fe2 C24 C23 -178.2(3) . .
C22 Fe2 C24 C23 37.6(3) . .
C13 Fe2 C24 C23 -58.1(5) . .
C200 Si4 C100 C101 66.3(4) . .
Sn1 Si4 C100 C101 -72.2(3) 2_655 .
Sn1 Si4 C100 C101 -156.1(3) . .
C200 Si4 C100 C105 -114.3(4) . .
Sn1 Si4 C100 C105 107.2(3) 2_655 .
Sn1 Si4 C100 C105 23.3(4) . .
C105 C100 C101 C102 0.1(6) . .
Si4 C100 C101 C102 179.5(4) . .
C105 C100 C101 C106 -179.2(4) . .
Si4 C100 C101 C106 0.2(6) . .
C100 C101 C102 C103 -0.7(8) . .
C106 C101 C102 C103 178.6(5) . .
C101 C102 C103 C104 0.2(9) . .
C101 C102 C103 C107 -178.9(6) . .
C102 C103 C104 C105 0.9(8) . .
C107 C103 C104 C105 -180.0(6) . .
C103 C104 C105 C100 -1.5(8) . .
C103 C104 C105 C108 179.4(5) . .
C101 C100 C105 C104 1.0(6) . .
Si4 C100 C105 C104 -178.4(4) . .
C101 C100 C105 C108 180.0(4) . .
Si4 C100 C105 C108 0.6(6) . .
C100 Si4 C200 C201 -111.6(4) . .
Sn1 Si4 C200 C201 25.2(4) 2_655 .
Sn1 Si4 C200 C201 109.1(3) . .
C100 Si4 C200 C205 66.8(4) . .
Sn1 Si4 C200 C205 -156.4(3) 2_655 .
Sn1 Si4 C200 C205 -72.5(3) . .
C205 C200 C201 C202 -0.4(6) . .
Si4 C200 C201 C202 178.1(3) . .
C205 C200 C201 C206 177.4(4) . .
Si4 C200 C201 C206 -4.2(6) . .
C200 C201 C202 C203 1.4(6) . .
C206 C201 C202 C203 -176.5(4) . .
C201 C202 C203 C204 -0.6(7) . .
C201 C202 C203 C207 179.2(4) . .
C202 C203 C204 C205 -1.2(7) . .
C207 C203 C204 C205 179.0(4) . .
C203 C204 C205 C200 2.2(7) . .
C203 C204 C205 C208 -179.4(4) . .
C201 C200 C205 C204 -1.4(6) . .
Si4 C200 C205 C204 -180.0(3) . .
C201 C200 C205 C208 -179.7(4) . .
Si4 C200 C205 C208 1.8(5) . .
C300 Si1 C300 C301 63.0(3) 2_655 .
Sn1 Si1 C300 C301 -75.5(3) 2_655 .
Sn1 Si1 C300 C301 -159.6(3) . .
C300 Si1 C300 C305 -119.3(4) 2_655 .
Sn1 Si1 C300 C305 102.2(3) 2_655 .
Sn1 Si1 C300 C305 18.1(4) . .
C305 C300 C301 C302 0.2(6) . .
Si1 C300 C301 C302 178.0(3) . .
C305 C300 C301 C306 -178.2(4) . .
Si1 C300 C301 C306 -0.4(5) . .
C300 C301 C302 C303 -1.0(6) . .
C306 C301 C302 C303 177.5(4) . .
C301 C302 C303 C304 0.4(6) . .
C301 C302 C303 C307 179.7(4) . .
C302 C303 C304 C305 1.2(6) . .
C307 C303 C304 C305 -178.1(4) . .
C303 C304 C305 C300 -2.0(6) . .
C303 C304 C305 C308 175.7(4) . .
C301 C300 C305 C304 1.3(6) . .
Si1 C300 C305 C304 -176.4(3) . .
C301 C300 C305 C308 -176.3(4) . .
Si1 C300 C305 C308 6.0(6) . .
C98 C93 C94 C95 -1.8(15) . .
C93 C94 C95 C96 0.2(15) . .
C94 C95 C96 C97 2.6(13) . .
C95 C96 C97 C98 -3.9(12) . .
C96 C97 C98 C93 2.2(11) . .
C96 C97 C98 C99 -179.2(7) . .
C94 C93 C98 C97 0.6(12) . .
C94 C93 C98 C99 -178.1(9) . .
