#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:46:16 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178533 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/38/4063841.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_4063841
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 Ge2 S2 Si3, 2(C7 H8)'
_chemical_formula_sum            'C88 H100 Fe2 Ge2 S2 Si3'
_chemical_formula_weight         1562.95
_chemical_name_systematic
;
[FcS(Ge2Si3Mes6)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                 107.82(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.038(5)
_cell_length_b                   15.932(3)
_cell_length_c                   21.740(4)
_cell_measurement_reflns_used    27778
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      3.81
_cell_volume                     7597(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  0.0694
_diffrn_reflns_av_sigmaI/netI    0.0456
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            27778
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.81
_exptl_absorpt_coefficient_mu    1.306
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.367
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular shaped crystal'
_exptl_crystal_F_000             3272
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.073
_refine_diff_density_min         -0.953
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     448
_refine_ls_number_reflns         7427
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0640
_refine_ls_R_factor_gt           0.0520
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0670P)²+17.7942P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1286
_refine_ls_wR_factor_ref         0.1412
_reflns_number_gt                5863
_reflns_number_total             7427
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om100977z_si_002.cif
_cod_data_source_block           compound_4
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4063841
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
Ge1 Ge 0.555121(14) 0.34644(2) 0.231727(15) 0.02619(12) Uani 1 1 d .
Fe1 Fe 0.76591(3) 0.28073(4) 0.19254(3) 0.05006(18) Uani 1 1 d .
Si1 Si 0.54164(4) 0.28511(5) 0.32976(4) 0.0276(2) Uani 1 1 d .
S1 S 0.63497(4) 0.36638(6) 0.19264(5) 0.0375(2) Uani 1 1 d .
Si2 Si 0.5000 0.46912(7) 0.2500 0.0258(3) Uani 1 2 d S
C10 C 0.68859(16) 0.2862(2) 0.21851(19) 0.0414(8) Uani 1 1 d .
C11 C 0.74042(19) 0.2914(4) 0.2741(3) 0.0700(15) Uani 1 1 d .
H11A H 0.7508 0.3382 0.3063 0.084 Uiso 1 1 calc R
C12 C 0.7741(3) 0.2180(5) 0.2749(4) 0.109(3) Uani 1 1 d .
H12A H 0.8137 0.2041 0.3082 0.131 Uiso 1 1 calc R
C13 C 0.7453(3) 0.1683(3) 0.2246(5) 0.105(3) Uani 1 1 d .
H13A H 0.7601 0.1124 0.2147 0.126 Uiso 1 1 calc R
C14 C 0.6910(2) 0.2111(3) 0.1856(3) 0.0771(17) Uani 1 1 d .
H14A H 0.6604 0.1901 0.1453 0.093 Uiso 1 1 calc R
C20 C 0.7607(2) 0.3583(3) 0.1174(3) 0.0629(12) Uani 1 1 d .
H20A H 0.7227 0.3842 0.0883 0.075 Uiso 1 1 calc R
C21 C 0.7982(2) 0.3929(3) 0.1743(2) 0.0551(11) Uani 1 1 d .
H21A H 0.7919 0.4480 0.1933 0.066 Uiso 1 1 calc R
C22 C 0.8467(2) 0.3366(3) 0.2009(3) 0.0590(12) Uani 1 1 d .
H22A H 0.8810 0.3448 0.2417 0.071 Uiso 1 1 calc R
C23 C 0.8385(2) 0.2673(3) 0.1586(3) 0.0620(12) Uani 1 1 d .
H23A H 0.8657 0.2170 0.1644 0.074 Uiso 1 1 calc R
C24 C 0.7855(3) 0.2811(3) 0.1078(3) 0.0700(14) Uani 1 1 d .
H24A H 0.7679 0.2421 0.0707 0.084 Uiso 1 1 calc R
C100 C 0.54173(15) 0.1671(2) 0.34021(17) 0.0335(7) Uani 1 1 d .
C101 C 0.51191(18) 0.1354(2) 0.38359(18) 0.0418(8) Uani 1 1 d .
C102 C 0.5106(2) 0.0502(3) 0.3942(2) 0.0601(12) Uani 1 1 d .
H10A H 0.4902 0.0303 0.4232 0.072 Uiso 1 1 calc R
C103 C 0.5377(2) -0.0071(3) 0.3642(3) 0.0677(14) Uani 1 1 d .
C104 C 0.5665(2) 0.0240(3) 0.3223(2) 0.0561(11) Uani 1 1 d .
H10B H 0.5850 -0.0146 0.3007 0.067 Uiso 1 1 calc R
C105 C 0.56993(16) 0.1086(2) 0.30996(19) 0.0401(8) Uani 1 1 d .
C106 C 0.4802(2) 0.1912(3) 0.4185(2) 0.0474(9) Uani 1 1 d .
H10C H 0.4584 0.1567 0.4416 0.071 Uiso 1 1 calc R
H10D H 0.4511 0.2272 0.3873 0.071 Uiso 1 1 calc R
H10E H 0.5103 0.2262 0.4495 0.071 Uiso 1 1 calc R
C107 C 0.5343(3) -0.1006(3) 0.3752(4) 0.110(3) Uani 1 1 d .
H10F H 0.5744 -0.1259 0.3809 0.166 Uiso 1 1 calc R
H10G H 0.5043 -0.1261 0.3379 0.166 Uiso 1 1 calc R
H10H H 0.5222 -0.1103 0.4141 0.166 Uiso 1 1 calc R
C108 C 0.60394(17) 0.1319(2) 0.26377(19) 0.0408(8) Uani 1 1 d .
H10I H 0.5883 0.0991 0.2240 0.061 Uiso 1 1 calc R
H10J H 0.6474 0.1201 0.2835 0.061 Uiso 1 1 calc R
H10K H 0.5983 0.1919 0.2536 0.061 Uiso 1 1 calc R
C200 C 0.58801(15) 0.3339(2) 0.40925(16) 0.0310(7) Uani 1 1 d .
C201 C 0.56468(16) 0.3831(2) 0.45010(16) 0.0347(7) Uani 1 1 d .
C202 C 0.60358(18) 0.4119(2) 0.50831(17) 0.0405(8) Uani 1 1 d .
H20B H 0.5870 0.4445 0.5355 0.049 Uiso 1 1 calc R
C203 C 0.66527(18) 0.3954(2) 0.52843(17) 0.0425(9) Uani 1 1 d .
C204 C 0.68831(17) 0.3476(2) 0.48820(18) 0.0427(9) Uani 1 1 d .
H20C H 0.7309 0.3366 0.5006 0.051 Uiso 1 1 calc R
C205 C 0.65141(16) 0.3155(2) 0.43056(16) 0.0367(8) Uani 1 1 d .
C206 C 0.49920(16) 0.4082(2) 0.43393(17) 0.0378(8) Uani 1 1 d .
H20D H 0.4896 0.4214 0.4738 0.057 Uiso 1 1 calc R
H20E H 0.4733 0.3620 0.4115 0.057 Uiso 1 1 calc R
H20F H 0.4918 0.4578 0.4059 0.057 Uiso 1 1 calc R
C207 C 0.7066(2) 0.4287(3) 0.5912(2) 0.0600(12) Uani 1 1 d .
H20G H 0.6838 0.4674 0.6103 0.090 Uiso 1 1 calc R
H20H H 0.7409 0.4586 0.5833 0.090 Uiso 1 1 calc R
H20I H 0.7222 0.3820 0.6210 0.090 Uiso 1 1 calc R
C208 C 0.68050(17) 0.2630(3) 0.39100(18) 0.0448(9) Uani 1 1 d .
H20J H 0.7250 0.2676 0.4085 0.067 Uiso 1 1 calc R
H20K H 0.6672 0.2828 0.3462 0.067 Uiso 1 1 calc R
H20L H 0.6683 0.2042 0.3924 0.067 Uiso 1 1 calc R
C300 C 0.53655(14) 0.53815(19) 0.32270(15) 0.0283(6) Uani 1 1 d .
C301 C 0.49810(15) 0.5921(2) 0.34424(16) 0.0323(7) Uani 1 1 d .
C302 C 0.52117(17) 0.6440(2) 0.39685(17) 0.0367(8) Uani 1 1 d .
H30A H 0.4943 0.6802 0.4098 0.044 Uiso 1 1 calc R
C303 C 0.58266(17) 0.6444(2) 0.43120(16) 0.0367(8) Uani 1 1 d .
C304 C 0.61991(16) 0.5921(2) 0.41018(16) 0.0356(7) Uani 1 1 d .
H30B H 0.6622 0.5913 0.4334 0.043 Uiso 1 1 calc R
C305 C 0.59912(15) 0.5404(2) 0.35687(15) 0.0308(7) Uani 1 1 d .
C306 C 0.43026(16) 0.5949(2) 0.31195(18) 0.0415(8) Uani 1 1 d .
H30C H 0.4114 0.6318 0.3365 0.062 Uiso 1 1 calc R
H30D H 0.4134 0.5382 0.3105 0.062 Uiso 1 1 calc R
H30E H 0.4218 0.6164 0.2679 0.062 Uiso 1 1 calc R
C307 C 0.6074(2) 0.7007(3) 0.48850(19) 0.0530(10) Uani 1 1 d .
H30F H 0.6470 0.7229 0.4885 0.079 Uiso 1 1 calc R
H30G H 0.6122 0.6688 0.5283 0.079 Uiso 1 1 calc R
H30H H 0.5790 0.7474 0.4862 0.079 Uiso 1 1 calc R
C308 C 0.64641(15) 0.4913(2) 0.33758(17) 0.0361(8) Uani 1 1 d .
H30I H 0.6851 0.4929 0.3727 0.054 Uiso 1 1 calc R
H30J H 0.6521 0.5159 0.2985 0.054 Uiso 1 1 calc R
H30K H 0.6329 0.4329 0.3290 0.054 Uiso 1 1 calc R
C93 C 0.6551(4) 0.0082(5) 0.6022(4) 0.117(3) Uani 1 1 d .
H93A H 0.6666 -0.0450 0.6219 0.140 Uiso 1 1 calc R
C94 C 0.6324(6) 0.0689(6) 0.6320(4) 0.157(4) Uani 1 1 d .
H94A H 0.6264 0.0561 0.6723 0.188 Uiso 1 1 calc R
C95 C 0.6178(4) 0.1474(5) 0.6072(5) 0.122(3) Uani 1 1 d .
H95A H 0.6020 0.1882 0.6297 0.147 Uiso 1 1 calc R
C96 C 0.6256(3) 0.1649(6) 0.5534(4) 0.110(3) Uani 1 1 d .
H96A H 0.6175 0.2202 0.5364 0.132 Uiso 1 1 calc R
C97 C 0.6465(3) 0.1022(6) 0.5178(4) 0.108(3) Uani 1 1 d .
H97A H 0.6500 0.1153 0.4765 0.130 Uiso 1 1 calc R
C98 C 0.6610(3) 0.0259(6) 0.5423(4) 0.103(2) Uani 1 1 d .
C99 C 0.6838(4) -0.0397(7) 0.5086(5) 0.171(5) Uani 1 1 d .
H99A H 0.7203 -0.0195 0.4992 0.256 Uiso 1 1 calc R
H99B H 0.6523 -0.0536 0.4681 0.256 Uiso 1 1 calc R
H99C H 0.6938 -0.0898 0.5359 0.256 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'
Ge Ge 0.1547 1.8001 '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
S1 Ge1 Si1 124.24(4) . 2_655
S1 Ge1 Si2 118.18(3) . .
Si1 Ge1 Si2 88.62(3) 2_655 .
S1 Ge1 Si1 135.56(4) . .
Si1 Ge1 Si1 88.80(4) 2_655 .
Si2 Ge1 Si1 88.10(3) . .
S1 Ge1 Ge1 170.06(3) . 2_655
Si1 Ge1 Ge1 54.10(3) 2_655 2_655
Si2 Ge1 Ge1 53.58(2) . 2_655
Si1 Ge1 Ge1 53.37(3) . 2_655
C12 Fe1 C14 68.8(3) . .
C12 Fe1 C21 132.5(3) . .
C14 Fe1 C21 146.0(2) . .
C12 Fe1 C22 107.9(3) . .
C14 Fe1 C22 172.77(19) . .
C21 Fe1 C22 40.85(18) . .
C12 Fe1 C20 172.0(3) . .
C14 Fe1 C20 116.0(2) . .
C21 Fe1 C20 40.2(2) . .
C22 Fe1 C20 68.2(2) . .
C12 Fe1 C24 145.6(3) . .
C14 Fe1 C24 110.9(3) . .
C21 Fe1 C24 67.8(2) . .
C22 Fe1 C24 68.0(2) . .
C20 Fe1 C24 40.4(2) . .
C12 Fe1 C10 67.93(19) . .
C14 Fe1 C10 40.58(17) . .
C21 Fe1 C10 115.11(16) . .
C22 Fe1 C10 145.03(19) . .
C20 Fe1 C10 111.03(18) . .
C24 Fe1 C10 135.4(2) . .
C12 Fe1 C13 39.0(3) . .
C14 Fe1 C13 42.0(3) . .
C21 Fe1 C13 170.4(3) . .
C22 Fe1 C13 131.5(3) . .
C20 Fe1 C13 148.7(3) . .
C24 Fe1 C13 117.1(3) . .
C10 Fe1 C13 67.99(18) . .
C12 Fe1 C23 114.0(2) . .
C14 Fe1 C23 133.9(2) . .
C21 Fe1 C23 68.22(18) . .
C22 Fe1 C23 40.7(2) . .
C20 Fe1 C23 67.9(2) . .
C24 Fe1 C23 40.0(2) . .
C10 Fe1 C23 173.91(19) . .
C13 Fe1 C23 109.6(2) . .
C12 Fe1 C11 40.5(3) . .
C14 Fe1 C11 69.1(2) . .
C21 Fe1 C11 108.5(2) . .
C22 Fe1 C11 112.8(2) . .
C20 Fe1 C11 133.6(2) . .
C24 Fe1 C11 173.8(2) . .
C10 Fe1 C11 40.81(17) . .
C13 Fe1 C11 67.4(3) . .
C23 Fe1 C11 144.3(2) . .
C100 Si1 C200 108.52(15) . .
C100 Si1 Ge1 115.66(11) . 2_655
C200 Si1 Ge1 120.21(11) . 2_655
C100 Si1 Ge1 120.31(12) . .
C200 Si1 Ge1 116.30(11) . .
Ge1 Si1 Ge1 72.52(3) 2_655 .
C10 S1 Ge1 110.55(12) . .
C300 Si2 C300 109.18(19) . 2_655
C300 Si2 Ge1 116.81(9) . 2_655
C300 Si2 Ge1 118.79(10) 2_655 2_655
C300 Si2 Ge1 118.79(10) . .
C300 Si2 Ge1 116.81(9) 2_655 .
Ge1 Si2 Ge1 72.84(4) 2_655 .
C14 C10 C11 109.3(4) . .
C14 C10 S1 126.4(4) . .
C11 C10 S1 124.0(4) . .
C14 C10 Fe1 69.3(2) . .
C11 C10 Fe1 70.0(2) . .
S1 C10 Fe1 122.5(2) . .
C12 C11 C10 106.3(6) . .
C12 C11 Fe1 68.6(4) . .
C10 C11 Fe1 69.2(3) . .
C12 C11 H11A 126.9 . .
C10 C11 H11A 126.9 . .
Fe1 C11 H11A 126.9 . .
C13 C12 C11 110.3(6) . .
C13 C12 Fe1 71.3(4) . .
C11 C12 Fe1 70.9(3) . .
C13 C12 H12A 124.8 . .
C11 C12 H12A 124.8 . .
Fe1 C12 H12A 124.8 . .
C12 C13 C14 108.7(5) . .
C12 C13 Fe1 69.7(3) . .
C14 C13 Fe1 68.6(3) . .
C12 C13 H13A 125.6 . .
C14 C13 H13A 125.6 . .
Fe1 C13 H13A 125.6 . .
C10 C14 C13 105.4(6) . .
C10 C14 Fe1 70.1(2) . .
C13 C14 Fe1 69.4(3) . .
C10 C14 H14A 127.3 . .
C13 C14 H14A 127.3 . .
Fe1 C14 H14A 127.3 . .
C21 C20 C24 108.1(5) . .
C21 C20 Fe1 69.8(3) . .
C24 C20 Fe1 70.0(3) . .
C21 C20 H20A 125.9 . .
C24 C20 H20A 125.9 . .
Fe1 C20 H20A 125.9 . .
C20 C21 C22 108.2(4) . .
C20 C21 Fe1 70.0(3) . .
C22 C21 Fe1 69.6(2) . .
C20 C21 H21A 125.9 . .
C22 C21 H21A 125.9 . .
Fe1 C21 H21A 125.9 . .
C21 C22 C23 107.4(5) . .
C21 C22 Fe1 69.5(2) . .
C23 C22 Fe1 70.2(3) . .
C21 C22 H22A 126.3 . .
C23 C22 H22A 126.3 . .
Fe1 C22 H22A 126.3 . .
C24 C23 C22 107.6(4) . .
C24 C23 Fe1 69.6(3) . .
C22 C23 Fe1 69.1(2) . .
C24 C23 H23A 126.2 . .
C22 C23 H23A 126.2 . .
Fe1 C23 H23A 126.2 . .
C23 C24 C20 108.6(5) . .
C23 C24 Fe1 70.4(3) . .
C20 C24 Fe1 69.6(3) . .
C23 C24 H24A 125.7 . .
C20 C24 H24A 125.7 . .
Fe1 C24 H24A 125.7 . .
C105 C100 C101 117.5(3) . .
C105 C100 Si1 125.7(3) . .
C101 C100 Si1 116.7(3) . .
C102 C101 C100 120.1(4) . .
C102 C101 C106 117.4(3) . .
C100 C101 C106 122.5(3) . .
C103 C102 C101 122.5(4) . .
C103 C102 H10A 118.8 . .
C101 C102 H10A 118.8 . .
C104 C103 C102 117.1(4) . .
C104 C103 C107 121.2(5) . .
C102 C103 C107 121.6(4) . .
C103 C104 C105 123.3(4) . .
C103 C104 H10B 118.4 . .
C105 C104 H10B 118.4 . .
C104 C105 C100 119.5(4) . .
C104 C105 C108 116.4(3) . .
C100 C105 C108 124.1(3) . .
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 117.5(3) . .
C201 C200 Si1 125.8(3) . .
C205 C200 Si1 116.7(3) . .
C202 C201 C200 119.7(3) . .
C202 C201 C206 116.7(3) . .
C200 C201 C206 123.6(3) . .
C203 C202 C201 122.9(3) . .
C203 C202 H20B 118.6 . .
C201 C202 H20B 118.6 . .
C202 C203 C204 117.5(3) . .
C202 C203 C207 121.8(4) . .
C204 C203 C207 120.7(4) . .
C205 C204 C203 122.0(4) . .
C205 C204 H20C 119.0 . .
C203 C204 H20C 119.0 . .
C204 C205 C200 120.4(3) . .
C204 C205 C208 118.0(3) . .
C200 C205 C208 121.6(3) . .
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 . .
C305 C300 C301 117.0(3) . .
C305 C300 Si2 125.2(2) . .
C301 C300 Si2 117.7(2) . .
C302 C301 C300 121.2(3) . .
C302 C301 C306 116.8(3) . .
C300 C301 C306 122.0(3) . .
C301 C302 C303 121.4(3) . .
C301 C302 H30A 119.3 . .
C303 C302 H30A 119.3 . .
C304 C303 C302 117.3(3) . .
C304 C303 C307 121.6(4) . .
C302 C303 C307 121.1(4) . .
C303 C304 C305 123.4(3) . .
C303 C304 H30B 118.3 . .
C305 C304 H30B 118.3 . .
C304 C305 C300 119.7(3) . .
C304 C305 C308 116.7(3) . .
C300 C305 C308 123.6(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 118.0(7) . .
C94 C93 H93A 121.0 . .
C98 C93 H93A 121.0 . .
C93 C94 C95 123.4(9) . .
C93 C94 H94A 118.3 . .
C95 C94 H94A 118.3 . .
C96 C95 C94 118.7(10) . .
C96 C95 H95A 120.7 . .
C94 C95 H95A 120.7 . .
C95 C96 C97 120.7(8) . .
C95 C96 H96A 119.7 . .
C97 C96 H96A 119.7 . .
C98 C97 C96 120.4(7) . .
C98 C97 H97A 119.8 . .
C96 C97 H97A 119.8 . .
C97 C98 C93 118.7(9) . .
C97 C98 C99 122.5(9) . .
C93 C98 C99 118.8(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
Ge1 S1 2.2724(10) .
Ge1 Si1 2.4263(11) 2_655
Ge1 Si2 2.4287(11) .
Ge1 Si1 2.4491(10) .
Ge1 Ge1 2.8838(9) 2_655
Fe1 C12 2.009(6) .
Fe1 C14 2.019(5) .
Fe1 C21 2.021(4) .
Fe1 C22 2.022(4) .
Fe1 C20 2.023(5) .
Fe1 C24 2.027(5) .
Fe1 C10 2.028(4) .
Fe1 C13 2.030(5) .
Fe1 C23 2.037(4) .
Fe1 C11 2.039(5) .
Si1 C100 1.894(3) .
Si1 C200 1.898(3) .
Si1 Ge1 2.4263(11) 2_655
S1 C10 1.746(4) .
Si2 C300 1.898(3) .
Si2 C300 1.898(3) 2_655
Si2 Ge1 2.4287(11) 2_655
C10 C14 1.403(6) .
C10 C11 1.418(6) .
C11 C12 1.401(9) .
C11 H11A 1.0000 .
C12 C13 1.348(11) .
C12 H12A 1.0000 .
C13 C14 1.450(9) .
C13 H13A 1.0000 .
C14 H14A 1.0000 .
C20 C21 1.388(7) .
C20 C24 1.399(7) .
C20 H20A 1.0000 .
C21 C22 1.411(6) .
C21 H21A 1.0000 .
C22 C23 1.413(7) .
C22 H22A 1.0000 .
C23 C24 1.392(7) .
C23 H23A 1.0000 .
C24 H24A 1.0000 .
C100 C105 1.408(5) .
C100 C101 1.418(5) .
C101 C102 1.379(5) .
C101 C106 1.497(5) .
C102 C103 1.378(6) .
C102 H10A 0.9500 .
C103 C104 1.374(6) .
C103 C107 1.515(6) .
C104 C105 1.382(5) .
C104 H10B 0.9500 .
C105 C108 1.497(5) .
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 1.409(5) .
C200 C205 1.421(5) .
C201 C202 1.386(5) .
C201 C206 1.495(5) .
C202 C203 1.378(5) .
C202 H20B 0.9500 .
C203 C204 1.382(6) .
C203 C207 1.502(5) .
C204 C205 1.379(5) .
C204 H20C 0.9500 .
C205 C208 1.497(5) .
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 C305 1.406(5) .
C300 C301 1.413(4) .
C301 C302 1.378(5) .
C301 C306 1.505(5) .
C302 C303 1.385(5) .
C302 H30A 0.9500 .
C303 C304 1.371(5) .
C303 C307 1.499(5) .
C304 C305 1.382(5) .
C304 H30B 0.9500 .
C305 C308 1.502(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 1.357(12) .
C93 C98 1.379(10) .
C93 H93A 0.9500 .
C94 C95 1.363(11) .
C94 H94A 0.9500 .
C95 C96 1.268(11) .
C95 H95A 0.9500 .
C96 C97 1.434(11) .
C96 H96A 0.9500 .
C97 C98 1.329(10) .
C97 H97A 0.9500 .
C98 C99 1.461(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
S1 Ge1 Si1 C100 -75.83(14) . .
Si1 Ge1 Si1 C100 65.64(13) 2_655 .
Si2 Ge1 Si1 C100 154.30(13) . .
Ge1 Ge1 Si1 C100 109.99(13) 2_655 .
S1 Ge1 Si1 C200 58.54(13) . .
Si1 Ge1 Si1 C200 -159.99(12) 2_655 .
Si2 Ge1 Si1 C200 -71.33(12) . .
Ge1 Ge1 Si1 C200 -115.64(12) 2_655 .
S1 Ge1 Si1 Ge1 174.18(4) . 2_655
Si1 Ge1 Si1 Ge1 -44.35(4) 2_655 2_655
Si2 Ge1 Si1 Ge1 44.32(2) . 2_655
Si1 Ge1 S1 C10 -99.32(16) 2_655 .
Si2 Ge1 S1 C10 151.31(15) . .
Si1 Ge1 S1 C10 31.80(16) . .
S1 Ge1 Si2 C300 -74.95(11) . .
Si1 Ge1 Si2 C300 156.32(11) 2_655 .
Si1 Ge1 Si2 C300 67.48(11) . .
Ge1 Ge1 Si2 C300 111.65(11) 2_655 .
S1 Ge1 Si2 C300 59.29(12) . 2_655
Si1 Ge1 Si2 C300 -69.44(12) 2_655 2_655
Si1 Ge1 Si2 C300 -158.28(11) . 2_655
Ge1 Ge1 Si2 C300 -114.12(11) 2_655 2_655
S1 Ge1 Si2 Ge1 173.41(4) . 2_655
Si1 Ge1 Si2 Ge1 44.68(2) 2_655 2_655
Si1 Ge1 Si2 Ge1 -44.16(3) . 2_655
Ge1 S1 C10 C14 91.9(4) . .
Ge1 S1 C10 C11 -94.4(3) . .
Ge1 S1 C10 Fe1 179.02(17) . .
C12 Fe1 C10 C14 -82.7(5) . .
C21 Fe1 C10 C14 149.4(3) . .
C22 Fe1 C10 C14 -172.5(4) . .
C20 Fe1 C10 C14 105.8(4) . .
C24 Fe1 C10 C14 66.3(4) . .
C13 Fe1 C10 C14 -40.5(5) . .
C11 Fe1 C10 C14 -120.9(5) . .
C12 Fe1 C10 C11 38.2(4) . .
C14 Fe1 C10 C11 120.9(5) . .
C21 Fe1 C10 C11 -89.7(3) . .
C22 Fe1 C10 C11 -51.6(4) . .
C20 Fe1 C10 C11 -133.3(3) . .
C24 Fe1 C10 C11 -172.8(3) . .
C13 Fe1 C10 C11 80.4(4) . .
C12 Fe1 C10 S1 156.5(4) . .
C14 Fe1 C10 S1 -120.8(4) . .
C21 Fe1 C10 S1 28.6(3) . .
C22 Fe1 C10 S1 66.7(4) . .
C20 Fe1 C10 S1 -15.0(3) . .
C24 Fe1 C10 S1 -54.5(4) . .
C13 Fe1 C10 S1 -161.3(4) . .
C11 Fe1 C10 S1 118.3(4) . .
C14 C10 C11 C12 -0.6(5) . .
S1 C10 C11 C12 -175.2(3) . .
Fe1 C10 C11 C12 -58.9(3) . .
C14 C10 C11 Fe1 58.3(3) . .
S1 C10 C11 Fe1 -116.3(3) . .
C14 Fe1 C11 C12 81.4(5) . .
C21 Fe1 C11 C12 -134.7(5) . .
C22 Fe1 C11 C12 -91.1(5) . .
C20 Fe1 C11 C12 -172.1(4) . .
C10 Fe1 C11 C12 118.1(5) . .
C13 Fe1 C11 C12 36.0(4) . .
C23 Fe1 C11 C12 -56.5(6) . .
C12 Fe1 C11 C10 -118.1(5) . .
C14 Fe1 C11 C10 -36.7(3) . .
C21 Fe1 C11 C10 107.2(3) . .
C22 Fe1 C11 C10 150.8(3) . .
C20 Fe1 C11 C10 69.8(4) . .
C13 Fe1 C11 C10 -82.0(4) . .
C23 Fe1 C11 C10 -174.5(3) . .
C10 C11 C12 C13 -1.4(6) . .
Fe1 C11 C12 C13 -60.7(5) . .
C10 C11 C12 Fe1 59.2(3) . .
C14 Fe1 C12 C13 38.0(3) . .
C21 Fe1 C12 C13 -173.7(3) . .
C22 Fe1 C12 C13 -135.2(3) . .
C24 Fe1 C12 C13 -58.3(6) . .
C10 Fe1 C12 C13 81.8(4) . .
C23 Fe1 C12 C13 -91.9(4) . .
C11 Fe1 C12 C13 120.3(5) . .
C14 Fe1 C12 C11 -82.3(4) . .
C21 Fe1 C12 C11 66.0(4) . .
C22 Fe1 C12 C11 104.5(4) . .
C24 Fe1 C12 C11 -178.6(4) . .
C10 Fe1 C12 C11 -38.5(3) . .
C13 Fe1 C12 C11 -120.3(5) . .
C23 Fe1 C12 C11 147.8(3) . .
C11 C12 C13 C14 2.8(7) . .
Fe1 C12 C13 C14 -57.6(4) . .
C11 C12 C13 Fe1 60.4(4) . .
C14 Fe1 C13 C12 -120.8(5) . .
C22 Fe1 C13 C12 63.7(5) . .
C20 Fe1 C13 C12 -176.3(4) . .
C24 Fe1 C13 C12 147.4(4) . .
C10 Fe1 C13 C12 -81.7(4) . .
C23 Fe1 C13 C12 104.3(4) . .
C11 Fe1 C13 C12 -37.4(3) . .
C12 Fe1 C13 C14 120.8(5) . .
C22 Fe1 C13 C14 -175.5(3) . .
C20 Fe1 C13 C14 -55.5(6) . .
C24 Fe1 C13 C14 -91.8(4) . .
C10 Fe1 C13 C14 39.1(3) . .
C23 Fe1 C13 C14 -134.9(4) . .
C11 Fe1 C13 C14 83.4(4) . .
C11 C10 C14 C13 2.2(5) . .
S1 C10 C14 C13 176.6(3) . .
Fe1 C10 C14 C13 60.9(3) . .
C11 C10 C14 Fe1 -58.7(3) . .
S1 C10 C14 Fe1 115.8(3) . .
C12 C13 C14 C10 -3.1(6) . .
Fe1 C13 C14 C10 -61.3(3) . .
C12 C13 C14 Fe1 58.2(4) . .
C12 Fe1 C14 C10 80.5(4) . .
C21 Fe1 C14 C10 -55.5(6) . .
C20 Fe1 C14 C10 -92.6(3) . .
C24 Fe1 C14 C10 -136.5(3) . .
C13 Fe1 C14 C10 115.9(6) . .
C23 Fe1 C14 C10 -176.1(3) . .
C11 Fe1 C14 C10 36.9(3) . .
C12 Fe1 C14 C13 -35.4(4) . .
C21 Fe1 C14 C13 -171.4(5) . .
C20 Fe1 C14 C13 151.5(5) . .
C24 Fe1 C14 C13 107.7(5) . .
C10 Fe1 C14 C13 -115.9(6) . .
C23 Fe1 C14 C13 68.0(6) . .
C11 Fe1 C14 C13 -79.0(5) . .
C14 Fe1 C20 C21 148.6(3) . .
C22 Fe1 C20 C21 -37.9(3) . .
C24 Fe1 C20 C21 -119.1(4) . .
C10 Fe1 C20 C21 104.4(3) . .
C13 Fe1 C20 C21 -173.6(4) . .
C23 Fe1 C20 C21 -82.0(3) . .
C11 Fe1 C20 C21 63.4(4) . .
C14 Fe1 C20 C24 -92.3(4) . .
C21 Fe1 C20 C24 119.1(4) . .
C22 Fe1 C20 C24 81.2(3) . .
C10 Fe1 C20 C24 -136.4(3) . .
C13 Fe1 C20 C24 -54.5(5) . .
C23 Fe1 C20 C24 37.1(3) . .
C11 Fe1 C20 C24 -177.5(3) . .
C24 C20 C21 C22 -0.3(5) . .
Fe1 C20 C21 C22 59.4(3) . .
C24 C20 C21 Fe1 -59.7(3) . .
C12 Fe1 C21 C20 -175.7(3) . .
C14 Fe1 C21 C20 -57.1(5) . .
C22 Fe1 C21 C20 119.3(4) . .
C24 Fe1 C21 C20 37.7(3) . .
C10 Fe1 C21 C20 -93.4(3) . .
C23 Fe1 C21 C20 81.0(3) . .
C11 Fe1 C21 C20 -137.0(3) . .
C12 Fe1 C21 C22 65.0(4) . .
C14 Fe1 C21 C22 -176.4(4) . .
C20 Fe1 C21 C22 -119.3(4) . .
C24 Fe1 C21 C22 -81.6(3) . .
C10 Fe1 C21 C22 147.3(3) . .
C23 Fe1 C21 C22 -38.2(3) . .
C11 Fe1 C21 C22 103.7(3) . .
C20 C21 C22 C23 0.7(5) . .
Fe1 C21 C22 C23 60.3(3) . .
C20 C21 C22 Fe1 -59.6(3) . .
C12 Fe1 C22 C21 -135.4(4) . .
C20 Fe1 C22 C21 37.3(3) . .
C24 Fe1 C22 C21 81.0(3) . .
C10 Fe1 C22 C21 -58.6(4) . .
C13 Fe1 C22 C21 -171.7(4) . .
C23 Fe1 C22 C21 118.3(4) . .
C11 Fe1 C22 C21 -92.3(3) . .
C12 Fe1 C22 C23 106.4(4) . .
C21 Fe1 C22 C23 -118.3(4) . .
C20 Fe1 C22 C23 -81.0(3) . .
C24 Fe1 C22 C23 -37.3(3) . .
C10 Fe1 C22 C23 -176.8(3) . .
C13 Fe1 C22 C23 70.0(5) . .
C11 Fe1 C22 C23 149.4(3) . .
C21 C22 C23 C24 -0.7(5) . .
Fe1 C22 C23 C24 59.1(3) . .
C21 C22 C23 Fe1 -59.8(3) . .
C12 Fe1 C23 C24 150.9(4) . .
C14 Fe1 C23 C24 67.9(4) . .
C21 Fe1 C23 C24 -80.9(3) . .
C22 Fe1 C23 C24 -119.3(4) . .
C20 Fe1 C23 C24 -37.5(3) . .
C13 Fe1 C23 C24 109.1(4) . .
C11 Fe1 C23 C24 -172.7(4) . .
C12 Fe1 C23 C22 -89.8(4) . .
C14 Fe1 C23 C22 -172.8(3) . .
C21 Fe1 C23 C22 38.3(3) . .
C20 Fe1 C23 C22 81.8(3) . .
C24 Fe1 C23 C22 119.3(4) . .
C13 Fe1 C23 C22 -131.7(4) . .
C11 Fe1 C23 C22 -53.4(5) . .
C22 C23 C24 C20 0.6(5) . .
Fe1 C23 C24 C20 59.3(3) . .
C22 C23 C24 Fe1 -58.8(3) . .
C21 C20 C24 C23 -0.1(5) . .
Fe1 C20 C24 C23 -59.8(3) . .
C21 C20 C24 Fe1 59.6(3) . .
C12 Fe1 C24 C23 -51.8(6) . .
C14 Fe1 C24 C23 -134.4(3) . .
C21 Fe1 C24 C23 82.2(3) . .
C22 Fe1 C24 C23 37.9(3) . .
C20 Fe1 C24 C23 119.6(5) . .
C10 Fe1 C24 C23 -174.1(3) . .
C13 Fe1 C24 C23 -88.7(4) . .
C12 Fe1 C24 C20 -171.4(5) . .
C14 Fe1 C24 C20 105.9(3) . .
C21 Fe1 C24 C20 -37.5(3) . .
C22 Fe1 C24 C20 -81.7(3) . .
C10 Fe1 C24 C20 66.3(4) . .
C13 Fe1 C24 C20 151.6(4) . .
C23 Fe1 C24 C20 -119.6(5) . .
C200 Si1 C100 C105 -112.8(3) . .
Ge1 Si1 C100 C105 108.6(3) 2_655 .
Ge1 Si1 C100 C105 24.6(4) . .
C200 Si1 C100 C101 65.6(3) . .
Ge1 Si1 C100 C101 -73.0(3) 2_655 .
Ge1 Si1 C100 C101 -157.0(2) . .
C105 C100 C101 C102 -0.9(6) . .
Si1 C100 C101 C102 -179.4(4) . .
C105 C100 C101 C106 -179.8(4) . .
Si1 C100 C101 C106 1.7(5) . .
C100 C101 C102 C103 0.3(7) . .
C106 C101 C102 C103 179.3(5) . .
C101 C102 C103 C104 -0.3(8) . .
C101 C102 C103 C107 -178.5(6) . .
C102 C103 C104 C105 0.8(8) . .
C107 C103 C104 C105 179.0(6) . .
C103 C104 C105 C100 -1.4(7) . .
C103 C104 C105 C108 179.1(5) . .
C101 C100 C105 C104 1.4(6) . .
Si1 C100 C105 C104 179.8(3) . .
C101 C100 C105 C108 -179.1(4) . .
Si1 C100 C105 C108 -0.7(5) . .
C100 Si1 C200 C201 -111.2(3) . .
Ge1 Si1 C200 C201 25.1(3) 2_655 .
Ge1 Si1 C200 C201 109.4(3) . .
C100 Si1 C200 C205 65.7(3) . .
Ge1 Si1 C200 C205 -158.0(2) 2_655 .
Ge1 Si1 C200 C205 -73.7(3) . .
C205 C200 C201 C202 0.5(5) . .
Si1 C200 C201 C202 177.3(3) . .
C205 C200 C201 C206 179.3(3) . .
Si1 C200 C201 C206 -3.8(5) . .
C200 C201 C202 C203 0.8(5) . .
C206 C201 C202 C203 -178.2(3) . .
C201 C202 C203 C204 -0.3(6) . .
C201 C202 C203 C207 178.9(4) . .
C202 C203 C204 C205 -1.4(6) . .
C207 C203 C204 C205 179.4(4) . .
C203 C204 C205 C200 2.7(6) . .
C203 C204 C205 C208 -178.7(4) . .
C201 C200 C205 C204 -2.1(5) . .
Si1 C200 C205 C204 -179.2(3) . .
C201 C200 C205 C208 179.4(3) . .
Si1 C200 C205 C208 2.2(5) . .
C300 Si2 C300 C305 -117.6(3) 2_655 .
Ge1 Si2 C300 C305 104.1(3) 2_655 .
Ge1 Si2 C300 C305 19.8(3) . .
C300 Si2 C300 C301 62.0(2) 2_655 .
Ge1 Si2 C300 C301 -76.4(3) 2_655 .
Ge1 Si2 C300 C301 -160.6(2) . .
C305 C300 C301 C302 -0.6(5) . .
Si2 C300 C301 C302 179.8(3) . .
C305 C300 C301 C306 -179.5(3) . .
Si2 C300 C301 C306 0.9(4) . .
C300 C301 C302 C303 -0.9(5) . .
C306 C301 C302 C303 178.0(3) . .
C301 C302 C303 C304 1.0(5) . .
C301 C302 C303 C307 -179.8(3) . .
C302 C303 C304 C305 0.5(5) . .
C307 C303 C304 C305 -178.7(3) . .
C303 C304 C305 C300 -2.1(5) . .
C303 C304 C305 C308 176.0(3) . .
C301 C300 C305 C304 2.0(5) . .
Si2 C300 C305 C304 -178.4(2) . .
C301 C300 C305 C308 -175.9(3) . .
Si2 C300 C305 C308 3.7(5) . .
C98 C93 C94 C95 -3.0(16) . .
C93 C94 C95 C96 0.1(16) . .
C94 C95 C96 C97 3.1(13) . .
C95 C96 C97 C98 -3.5(11) . .
C96 C97 C98 C93 0.5(11) . .
C96 C97 C98 C99 -178.7(7) . .
C94 C93 C98 C97 2.5(12) . .
C94 C93 C98 C99 -178.2(9) . .
