data_global
_journal_name_full               'Private Communication'

_journal_coden_Cambridge         	1078
_journal_volume                 	? 
_journal_year                    	2003
_journal_page_first         		?     
_journal_page_last         		?	      


loop_
_publ_author_name
M.B.Hursthouse
S.J.Coles
I.R.Butler

_publ_contact_author_name        M.B.Hursthouse

_publ_contact_author_email       mbh@soton.ac.uk
 
data_03HUR1134
 
_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          ? 
_chemical_formula_structural      ? 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C27 H22 Br Fe1.50 Si' 
_chemical_formula_weight          538.22 
_chemical_melting_point           ? 
_chemical_compound_source         ? 
 
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'C'  'C'   0.0181   0.0091 
 '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'   0.2541   0.3302 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Fe'  'Fe'  -1.1336   3.1974 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Br'  'Br'  -0.6763   1.2805 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            Monoclinic 
_symmetry_space_group_name_H-M    P2(1)/c
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, y+1/2, -z+1/2' 
 '-x, -y, -z' 
 'x, -y-1/2, z-1/2' 
 
_cell_length_a                    13.275(3) 
_cell_length_b                    10.233(2) 
_cell_length_c                    17.999(4) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  111.60(3) 
_cell_angle_gamma                 90.00 
_cell_volume                      2273.3(8) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 
 
_exptl_crystal_description        ? 
_exptl_crystal_colour             ? 
_exptl_crystal_size_max           0.3 
_exptl_crystal_size_mid           0.2
_exptl_crystal_size_min           0.2
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.573 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              1088 
_exptl_absorpt_coefficient_mu     10.418 
_exptl_absorpt_correction_type    ? 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      1.54178 
_diffrn_radiation_type            CuK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device        ? 
_diffrn_measurement_method        ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             3243 
_diffrn_reflns_av_R_equivalents   0.0543 
_diffrn_reflns_av_sigmaI/netI     0.0977 
_diffrn_reflns_limit_h_min        -14 
_diffrn_reflns_limit_h_max        0 
_diffrn_reflns_limit_k_min        -11 
_diffrn_reflns_limit_k_max        0 
_diffrn_reflns_limit_l_min        -18 
_diffrn_reflns_limit_l_max        19 
_diffrn_reflns_theta_min          3.58 
_diffrn_reflns_theta_max          58.62 
_reflns_number_total              3094 
_reflns_number_observed           1701 
_reflns_observed_criterion        >2sigma(I) 
 
_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-92 (Sheldrick, 1993)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 
 
_refine_special_details 
; 
 Refinement on F² for ALL reflections except for 4 with very negative F² 
 or flagged by the user for potential systematic errors.  Weighted R-factors 
 wR and all goodnesses of fit S are based on F², conventional R-factors R 
 are based on F, with F set to zero for negative F². The observed criterion 
 of F² > 2sigma(F²) is used only for calculating _R_factor_obs etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
 
_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme 
 'calc w=1/[\s^2^(Fo^2^)+(0.1640P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     ? 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          3090 
_refine_ls_number_parameters      277 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.1453 
_refine_ls_R_factor_obs           0.0833 
_refine_ls_wR_factor_all          0.2543 
_refine_ls_wR_factor_obs          0.2186 
_refine_ls_goodness_of_fit_all    0.965 
_refine_ls_goodness_of_fit_obs    1.206 
_refine_ls_restrained_S_all       1.008 
_refine_ls_restrained_S_obs       1.206 
_refine_ls_shift/esd_max          -0.000 
_refine_ls_shift/esd_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_thermal_displace_type 
 _atom_site_occupancy 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_group 
Br1 Br 0.2279(2) 0.0016(2) 0.39682(11) 0.1295(8) Uani 1 d . . 
Fe1 Fe 0.31788(13) 0.02469(14) 0.23757(9) 0.0551(5) Uani 1 d . . 
Fe2 Fe 0.5000 0.0000 0.0000 0.0479(6) Uani 1 d S . 
Si1 Si 0.2663(2) -0.0800(3) 0.04204(14) 0.0479(7) Uani 1 d . . 
C1 C 0.3145(13) -0.0411(12) 0.3421(7) 0.090(4) Uani 1 d . . 
C2 C 0.3025(11) -0.1501(11) 0.2859(6) 0.082(4) Uani 1 d . . 
H2 H 0.2447(11) -0.2081(11) 0.2665(6) 0.098 Uiso 1 calc R . 
C3 C 0.3990(11) -0.1480(13) 0.2672(7) 0.086(4) Uani 1 d . . 
H3 H 0.4148(11) -0.2061(13) 0.2333(7) 0.103 Uiso 1 calc R . 
C4 C 0.4649(11) -0.0453(13) 0.3079(7) 0.089(4) Uani 1 d . . 
H4 H 0.5301(11) -0.0223(13) 0.3033(7) 0.107 Uiso 1 calc R . 
C5 C 0.4213(11) 0.0156(12) 0.3543(7) 0.088(4) Uani 1 d . . 
H5 H 0.4535(11) 0.0837(12) 0.3891(7) 0.105 Uiso 1 calc R . 
C6 C 0.3394(9) 0.1460(9) 0.1536(5) 0.067(3) Uani 1 d . . 
H6 H 0.4039(9) 0.1624(9) 0.1462(5) 0.081 Uiso 1 calc R . 
C7 C 0.2997(10) 0.2160(10) 0.2054(6) 0.073(3) Uani 1 d . . 
H7 H 0.3352(10) 0.2850(10) 0.2383(6) 0.088 Uiso 1 calc R . 
C8 C 0.1999(10) 0.1656(11) 0.1995(6) 0.076(3) Uani 1 d . . 
H8 H 0.1562(10) 0.1961(11) 0.2260(6) 0.091 Uiso 1 calc R . 
C9 C 0.1771(8) 0.0597(10) 0.1457(6) 0.063(3) Uani 1 d . . 
H9 H 0.1161(8) 0.0067(10) 0.1323(6) 0.075 Uiso 1 calc R . 
C10 C 0.2622(8) 0.0452(9) 0.1146(6) 0.052(2) Uani 1 d . . 
C11 C 0.1784(7) -0.0224(9) -0.0589(5) 0.048(2) Uani 1 d . . 
C12 C 0.1465(8) 0.1072(10) -0.0749(6) 0.067(3) Uani 1 d . . 
H12 H 0.1651(8) 0.1673(10) -0.0332(6) 0.081 Uiso 1 calc R . 
C13 C 0.0879(8) 0.1475(12) -0.1513(7) 0.073(3) Uani 1 d . . 
H13 H 0.0671(8) 0.2347(12) -0.1602(7) 0.088 Uiso 1 calc R . 
C14 C 0.0589(9) 0.0633(15) -0.2153(7) 0.089(4) Uani 1 d . . 
H14 H 0.0194(9) 0.0933(15) -0.2666(7) 0.107 Uiso 1 calc R . 
C15 C 0.0887(10) -0.0650(14) -0.2027(7) 0.092(4) Uani 1 d . . 
H15 H 0.0717(10) -0.1229(14) -0.2454(7) 0.111 Uiso 1 calc R . 
C16 C 0.1453(9) -0.1080(11) -0.1244(7) 0.075(3) Uani 1 d . . 
H16 H 0.1615(9) -0.1964(11) -0.1156(7) 0.091 Uiso 1 calc R . 
C17 C 0.2110(8) -0.2383(9) 0.0619(5) 0.053(2) Uani 1 d . . 
C18 C 0.1013(9) -0.2506(11) 0.0496(7) 0.078(3) Uani 1 d . . 
H18 H 0.0546(9) -0.1805(11) 0.0292(7) 0.094 Uiso 1 calc R . 
C19 C 0.0610(11) -0.3687(15) 0.0679(8) 0.101(5) Uani 1 d . . 
H19 H -0.0121(11) -0.3750(15) 0.0601(8) 0.121 Uiso 1 calc R . 
C20 C 0.1268(15) -0.4741(13) 0.0968(8) 0.101(5) Uani 1 d . . 
H20 H 0.0999(15) -0.5497(13) 0.1113(8) 0.121 Uiso 1 calc R . 
C21 C 0.2344(12) -0.4669(12) 0.1041(8) 0.094(4) Uani 1 d . . 
H21 H 0.2799(12) -0.5392(12) 0.1194(8) 0.113 Uiso 1 calc R . 
C22 C 0.2715(9) -0.3476(11) 0.0877(6) 0.070(3) Uani 1 d . . 
H22 H 0.3444(9) -0.3422(11) 0.0950(6) 0.084 Uiso 1 calc R . 
C23 C 0.4062(7) -0.1101(9) 0.0456(5) 0.052(2) Uani 1 d . . 
C24 C 0.5064(8) -0.0763(11) 0.1057(6) 0.065(3) Uani 1 d . . 
H24 H 0.5138(8) -0.0284(11) 0.1514(6) 0.078 Uiso 1 calc R . 
C25 C 0.5962(9) -0.1265(11) 0.0864(8) 0.078(4) Uani 1 d . . 
H25 H 0.6697(9) -0.1171(11) 0.1162(8) 0.094 Uiso 1 calc R . 
C26 C 0.5486(11) -0.1921(12) 0.0134(8) 0.081(3) Uani 1 d . . 
H26 H 0.5866(11) -0.2335(12) -0.0142(8) 0.098 Uiso 1 calc R . 
C27 C 0.4336(8) -0.1858(10) -0.0124(6) 0.061(3) Uani 1 d . . 
H27 H 0.3845(8) -0.2238(10) -0.0584(6) 0.073 Uiso 1 calc R . 
 
 
_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 
Br1 C1 1.821(14) . ? 
Fe1 C1 2.014(10) . ? 
Fe1 C9 2.019(10) . ? 
Fe1 C4 2.025(13) . ? 
Fe1 C7 2.031(10) . ? 
Fe1 C2 2.032(11) . ? 
Fe1 C3 2.035(12) . ? 
Fe1 C5 2.045(12) . ? 
Fe1 C8 2.053(11) . ? 
Fe1 C6 2.055(10) . ? 
Fe1 C10 2.069(9) . ? 
Fe2 C24 2.029(9) . ? 
Fe2 C24 2.029(9) 3_655 ? 
Fe2 C26 2.055(12) 3_655 ? 
Fe2 C26 2.055(12) . ? 
Fe2 C23 2.060(9) . ? 
Fe2 C23 2.060(9) 3_655 ? 
Fe2 C25 2.065(9) 3_655 ? 
Fe2 C25 2.065(9) . ? 
Fe2 C27 2.073(10) 3_655 ? 
Fe2 C27 2.073(10) . ? 
Si1 C10 1.845(10) . ? 
Si1 C11 1.857(9) . ? 
Si1 C23 1.861(9) . ? 
Si1 C17 1.867(10) . ? 
C1 C5 1.47(2) . ? 
C1 C2 1.47(2) . ? 
C2 C3 1.44(2) . ? 
C3 C4 1.39(2) . ? 
C4 C5 1.33(2) . ? 
C6 C7 1.422(13) . ? 
C6 C10 1.441(13) . ? 
C7 C8 1.389(14) . ? 
C8 C9 1.410(14) . ? 
C9 C10 1.441(13) . ? 
C11 C12 1.390(13) . ? 
C11 C16 1.403(13) . ? 
C12 C13 1.371(13) . ? 
C13 C14 1.38(2) . ? 
C14 C15 1.37(2) . ? 
C15 C16 1.40(2) . ? 
C17 C22 1.356(13) . ? 
C17 C18 1.395(13) . ? 
C18 C19 1.41(2) . ? 
C19 C20 1.37(2) . ? 
C20 C21 1.39(2) . ? 
C21 C22 1.388(14) . ? 
C23 C24 1.415(13) . ? 
C23 C27 1.448(12) . ? 
C24 C25 1.452(14) . ? 
C25 C26 1.40(2) . ? 
C26 C27 1.42(2) . ? 
 
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 
C1 Fe1 C9 119.5(5) . . ? 
C1 Fe1 C4 69.3(6) . . ? 
C9 Fe1 C4 164.2(5) . . ? 
C1 Fe1 C7 123.2(5) . . ? 
C9 Fe1 C7 67.6(5) . . ? 
C4 Fe1 C7 120.3(6) . . ? 
C1 Fe1 C2 42.8(4) . . ? 
C9 Fe1 C2 107.3(5) . . ? 
C4 Fe1 C2 69.3(5) . . ? 
C7 Fe1 C2 161.9(5) . . ? 
C1 Fe1 C3 69.9(5) . . ? 
C9 Fe1 C3 127.5(5) . . ? 
C4 Fe1 C3 40.0(5) . . ? 
C7 Fe1 C3 155.2(6) . . ? 
C2 Fe1 C3 41.4(4) . . ? 
C1 Fe1 C5 42.5(5) . . ? 
C9 Fe1 C5 156.6(5) . . ? 
C4 Fe1 C5 38.2(5) . . ? 
C7 Fe1 C5 107.5(5) . . ? 
C2 Fe1 C5 69.9(5) . . ? 
C3 Fe1 C5 66.5(5) . . ? 
C1 Fe1 C8 105.7(5) . . ? 
C9 Fe1 C8 40.5(4) . . ? 
C4 Fe1 C8 153.9(5) . . ? 
C7 Fe1 C8 39.8(4) . . ? 
C2 Fe1 C8 125.3(5) . . ? 
C3 Fe1 C8 164.3(5) . . ? 
C5 Fe1 C8 121.1(5) . . ? 
C1 Fe1 C6 161.0(5) . . ? 
C9 Fe1 C6 68.2(4) . . ? 
C4 Fe1 C6 108.1(5) . . ? 
C7 Fe1 C6 40.7(4) . . ? 
C2 Fe1 C6 155.4(4) . . ? 
C3 Fe1 C6 120.9(5) . . ? 
C5 Fe1 C6 124.1(5) . . ? 
C8 Fe1 C6 68.0(4) . . ? 
C1 Fe1 C10 155.6(5) . . ? 
C9 Fe1 C10 41.2(4) . . ? 
C4 Fe1 C10 125.9(5) . . ? 
C7 Fe1 C10 68.9(4) . . ? 
C2 Fe1 C10 119.6(4) . . ? 
C3 Fe1 C10 108.3(4) . . ? 
C5 Fe1 C10 160.6(5) . . ? 
C8 Fe1 C10 69.1(4) . . ? 
C6 Fe1 C10 40.9(3) . . ? 
C24 Fe2 C24 180.0 . 3_655 ? 
C24 Fe2 C26 112.4(4) . 3_655 ? 
C24 Fe2 C26 67.6(4) 3_655 3_655 ? 
C24 Fe2 C26 67.6(4) . . ? 
C24 Fe2 C26 112.4(4) 3_655 . ? 
C26 Fe2 C26 180.0 3_655 . ? 
C24 Fe2 C23 40.5(3) . . ? 
C24 Fe2 C23 139.5(3) 3_655 . ? 
C26 Fe2 C23 111.1(4) 3_655 . ? 
C26 Fe2 C23 68.9(4) . . ? 
C24 Fe2 C23 139.5(3) . 3_655 ? 
C24 Fe2 C23 40.5(3) 3_655 3_655 ? 
C26 Fe2 C23 68.9(4) 3_655 3_655 ? 
C26 Fe2 C23 111.1(4) . 3_655 ? 
C23 Fe2 C23 180.0 . 3_655 ? 
C24 Fe2 C25 138.5(4) . 3_655 ? 
C24 Fe2 C25 41.5(4) 3_655 3_655 ? 
C26 Fe2 C25 39.8(4) 3_655 3_655 ? 
C26 Fe2 C25 140.2(4) . 3_655 ? 
C23 Fe2 C25 110.3(4) . 3_655 ? 
C23 Fe2 C25 69.7(4) 3_655 3_655 ? 
C24 Fe2 C25 41.5(4) . . ? 
C24 Fe2 C25 138.5(4) 3_655 . ? 
C26 Fe2 C25 140.2(4) 3_655 . ? 
C26 Fe2 C25 39.8(4) . . ? 
C23 Fe2 C25 69.7(4) . . ? 
C23 Fe2 C25 110.3(4) 3_655 . ? 
C25 Fe2 C25 180.0 3_655 . ? 
C24 Fe2 C27 112.5(4) . 3_655 ? 
C24 Fe2 C27 67.5(4) 3_655 3_655 ? 
C26 Fe2 C27 40.4(4) 3_655 3_655 ? 
C26 Fe2 C27 139.6(4) . 3_655 ? 
C23 Fe2 C27 139.0(3) . 3_655 ? 
C23 Fe2 C27 41.0(3) 3_655 3_655 ? 
C25 Fe2 C27 68.1(4) 3_655 3_655 ? 
C25 Fe2 C27 111.9(4) . 3_655 ? 
C24 Fe2 C27 67.5(4) . . ? 
C24 Fe2 C27 112.5(4) 3_655 . ? 
C26 Fe2 C27 139.6(4) 3_655 . ? 
C26 Fe2 C27 40.4(4) . . ? 
C23 Fe2 C27 41.0(3) . . ? 
C23 Fe2 C27 139.0(3) 3_655 . ? 
C25 Fe2 C27 111.9(4) 3_655 . ? 
C25 Fe2 C27 68.1(4) . . ? 
C27 Fe2 C27 180.0 3_655 . ? 
C10 Si1 C11 107.5(4) . . ? 
C10 Si1 C23 112.3(4) . . ? 
C11 Si1 C23 110.2(4) . . ? 
C10 Si1 C17 110.6(4) . . ? 
C11 Si1 C17 108.2(4) . . ? 
C23 Si1 C17 107.9(4) . . ? 
C5 C1 C2 104.8(12) . . ? 
C5 C1 Br1 126.1(10) . . ? 
C2 C1 Br1 128.5(12) . . ? 
C5 C1 Fe1 69.9(7) . . ? 
C2 C1 Fe1 69.3(6) . . ? 
Br1 C1 Fe1 131.3(7) . . ? 
C3 C2 C1 105.5(12) . . ? 
C3 C2 Fe1 69.4(7) . . ? 
C1 C2 Fe1 68.0(6) . . ? 
C4 C3 C2 109.3(12) . . ? 
C4 C3 Fe1 69.6(7) . . ? 
C2 C3 Fe1 69.2(7) . . ? 
C5 C4 C3 110.4(13) . . ? 
C5 C4 Fe1 71.7(8) . . ? 
C3 C4 Fe1 70.4(7) . . ? 
C4 C5 C1 109.8(12) . . ? 
C4 C5 Fe1 70.1(7) . . ? 
C1 C5 Fe1 67.6(6) . . ? 
C7 C6 C10 108.2(10) . . ? 
C7 C6 Fe1 68.7(6) . . ? 
C10 C6 Fe1 70.1(5) . . ? 
C8 C7 C6 109.6(10) . . ? 
C8 C7 Fe1 71.0(6) . . ? 
C6 C7 Fe1 70.6(6) . . ? 
C7 C8 C9 107.2(10) . . ? 
C7 C8 Fe1 69.3(6) . . ? 
C9 C8 Fe1 68.5(6) . . ? 
C8 C9 C10 110.2(10) . . ? 
C8 C9 Fe1 71.0(6) . . ? 
C10 C9 Fe1 71.2(6) . . ? 
C9 C10 C6 104.8(9) . . ? 
C9 C10 Si1 125.3(8) . . ? 
C6 C10 Si1 129.9(7) . . ? 
C9 C10 Fe1 67.5(5) . . ? 
C6 C10 Fe1 69.0(5) . . ? 
Si1 C10 Fe1 126.5(5) . . ? 
C12 C11 C16 116.4(9) . . ? 
C12 C11 Si1 122.6(7) . . ? 
C16 C11 Si1 120.9(7) . . ? 
C13 C12 C11 120.8(11) . . ? 
C12 C13 C14 122.2(11) . . ? 
C15 C14 C13 119.2(10) . . ? 
C14 C15 C16 119.0(11) . . ? 
C15 C16 C11 122.3(10) . . ? 
C22 C17 C18 115.6(10) . . ? 
C22 C17 Si1 123.8(8) . . ? 
C18 C17 Si1 120.6(8) . . ? 
C17 C18 C19 120.3(11) . . ? 
C20 C19 C18 121.4(12) . . ? 
C19 C20 C21 119.2(13) . . ? 
C20 C21 C22 117.4(12) . . ? 
C17 C22 C21 125.9(11) . . ? 
C24 C23 C27 105.5(9) . . ? 
C24 C23 Si1 129.1(7) . . ? 
C27 C23 Si1 125.1(7) . . ? 
C24 C23 Fe2 68.6(5) . . ? 
C27 C23 Fe2 70.0(5) . . ? 
Si1 C23 Fe2 129.6(5) . . ? 
C23 C24 C25 110.7(10) . . ? 
C23 C24 Fe2 70.9(5) . . ? 
C25 C24 Fe2 70.5(5) . . ? 
C26 C25 C24 105.5(10) . . ? 
C26 C25 Fe2 69.7(6) . . ? 
C24 C25 Fe2 67.9(5) . . ? 
C25 C26 C27 110.0(9) . . ? 
C25 C26 Fe2 70.5(7) . . ? 
C27 C26 Fe2 70.5(6) . . ? 
C26 C27 C23 108.2(9) . . ? 
C26 C27 Fe2 69.1(6) . . ? 
C23 C27 Fe2 69.0(6) . . ? 
 
_refine_diff_density_max    0.507 
_refine_diff_density_min   -1.410 
_refine_diff_density_rms    0.136 
