Supplementary Material (ESI) for Dalton Transactions
This journal is © The Royal Society of Chemistry 2005

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data_cd22119
_database_code_depnum_ccdc_archive 'CCDC 225627'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H18 Fe2 N2 O7 Si'
_chemical_formula_weight         538.15

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
Si Si 0.0817 0.0704 '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                   10.3877(19)
_cell_length_b                   15.199(3)
_cell_length_c                   15.666(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 101.456(3)
_cell_angle_gamma                90.00
_cell_volume                     2424.2(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    1218
_cell_measurement_theta_min      4.816
_cell_measurement_theta_max      40.106

_exptl_crystal_description       ?
_exptl_crystal_colour            red
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.475
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1096
_exptl_absorpt_coefficient_mu    1.287
_exptl_absorpt_correction_type   sadabs
_exptl_absorpt_correction_T_min  0.8266
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            14085
_diffrn_reflns_av_R_equivalents  0.1329
_diffrn_reflns_av_sigmaI/netI    0.2246
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.89
_diffrn_reflns_theta_max         28.36
_reflns_number_total             5614
_reflns_number_gt                1640
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement.  R-factors based
on F^2^ 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
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0328P)^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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5614
_refine_ls_number_parameters     312
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.1949
_refine_ls_R_factor_gt           0.0494
_refine_ls_wR_factor_ref         0.1127
_refine_ls_wR_factor_gt          0.0868
_refine_ls_goodness_of_fit_ref   0.697
_refine_ls_restrained_S_all      0.697
_refine_ls_shift/su_max          0.001
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.47629(16) 0.32722(12) 0.40221(14) 0.0882(6) Uani 1 1 d . . .
Fe1 Fe 0.22559(7) 0.52750(5) 0.22495(5) 0.0575(3) Uani 1 1 d . . .
Fe2 Fe 0.21392(7) 0.37597(5) 0.16031(6) 0.0635(3) Uani 1 1 d . . .
N1 N 0.0427(4) 0.4889(3) 0.2087(3) 0.0572(12) Uani 1 1 d . . .
N2 N 0.0366(4) 0.4099(3) 0.1711(3) 0.0591(12) Uani 1 1 d . . .
O1 O 0.3942(3) 0.3969(2) 0.3311(2) 0.0713(11) Uani 1 1 d . . .
O2 O 0.1940(5) 0.6153(3) 0.0545(3) 0.1018(16) Uani 1 1 d . . .
O3 O 0.1989(4) 0.6685(3) 0.3465(3) 0.1093(16) Uani 1 1 d . . .
O4 O 0.5083(4) 0.5542(3) 0.2580(3) 0.1082(17) Uani 1 1 d . . .
O5 O 0.1452(5) 0.4080(3) -0.0289(3) 0.1207(19) Uani 1 1 d . . .
O6 O 0.2015(4) 0.1857(3) 0.1790(3) 0.0910(14) Uani 1 1 d . . .
O7 O 0.4896(5) 0.3673(4) 0.1532(4) 0.159(2) Uani 1 1 d . . .
C1 C 0.2609(5) 0.4100(3) 0.2884(4) 0.0565(14) Uani 1 1 d . . .
C2 C 0.2020(6) 0.5827(4) 0.1202(4) 0.0705(18) Uani 1 1 d . . .
C3 C 0.2098(6) 0.6125(4) 0.2999(4) 0.0750(19) Uani 1 1 d . . .
C4 C 0.3965(6) 0.5428(4) 0.2441(4) 0.0730(18) Uani 1 1 d . . .
C5 C 0.1713(6) 0.3934(4) 0.0452(5) 0.077(2) Uani 1 1 d . . .
C6 C 0.2022(5) 0.2614(4) 0.1696(4) 0.0658(16) Uani 1 1 d . . .
C7 C 0.3806(6) 0.3707(4) 0.1557(4) 0.092(2) Uani 1 1 d . . .
C8 C 0.1757(5) 0.3874(4) 0.3526(4) 0.0613(15) Uani 1 1 d . . .
C9 C 0.0892(6) 0.3192(4) 0.3455(4) 0.0793(18) Uani 1 1 d . . .
H1 H 0.0814 0.2823 0.2974 0.095 Uiso 1 1 calc R . .
C10 C 0.0128(6) 0.3023(5) 0.4060(5) 0.091(2) Uani 1 1 d . . .
H2 H -0.0458 0.2554 0.3981 0.110 Uiso 1 1 calc R . .
C11 C 0.0240(7) 0.3553(6) 0.4781(5) 0.107(3) Uani 1 1 d . . .
H3 H -0.0278 0.3451 0.5192 0.129 Uiso 1 1 calc R . .
C12 C 0.1116(8) 0.4230(5) 0.4889(5) 0.108(2) Uani 1 1 d . . .
H4 H 0.1212 0.4585 0.5381 0.129 Uiso 1 1 calc R . .
C13 C 0.1854(7) 0.4386(6) 0.4272(5) 0.087(2) Uani 1 1 d . . .
C14 C 0.4707(8) 0.3530(6) 0.5198(4) 0.172(4) Uani 1 1 d . . .
H6 H 0.4758 0.4155 0.5286 0.259 Uiso 1 1 calc R . .
H8 H 0.5435 0.3252 0.5574 0.259 Uiso 1 1 calc R . .
H7 H 0.3900 0.3314 0.5328 0.259 Uiso 1 1 calc R . .
C15 C 0.6454(6) 0.3396(6) 0.3884(6) 0.215(5) Uani 1 1 d . . .
H10 H 0.6551 0.3131 0.3344 0.322 Uiso 1 1 calc R . .
H11 H 0.7033 0.3112 0.4358 0.322 Uiso 1 1 calc R . .
H9C H 0.6669 0.4010 0.3878 0.322 Uiso 1 1 calc R . .
C16 C 0.4144(8) 0.2147(4) 0.3884(6) 0.160(4) Uani 1 1 d . . .
H12 H 0.3235 0.2139 0.3927 0.241 Uiso 1 1 calc R . .
H14 H 0.4639 0.1780 0.4330 0.241 Uiso 1 1 calc R . .
H13 H 0.4232 0.1931 0.3323 0.241 Uiso 1 1 calc R . .
C17 C -0.0647(6) 0.5240(5) 0.2284(4) 0.0715(18) Uani 1 1 d . . .
C18 C -0.1847(6) 0.4822(6) 0.2079(5) 0.090(2) Uani 1 1 d . . .
C19 C -0.1915(7) 0.4042(6) 0.1677(5) 0.093(2) Uani 1 1 d D . .
C20 C -0.0786(6) 0.3699(5) 0.1481(4) 0.0776(18) Uani 1 1 d D . .
H5 H 0.250(5) 0.480(3) 0.441(3) 0.056(17) Uiso 1 1 d . . .
H15 H -0.049(4) 0.579(3) 0.252(3) 0.042(15) Uiso 1 1 d . . .
H16 H -0.253(5) 0.515(3) 0.227(3) 0.087(19) Uiso 1 1 d . . .
H17 H -0.268(4) 0.372(3) 0.153(4) 0.12(3) Uiso 1 1 d D . .
H18 H -0.080(4) 0.3173(19) 0.115(2) 0.046(16) Uiso 1 1 d D . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Si1 0.0533(11) 0.0815(13) 0.1253(17) 0.0196(13) 0.0064(11) 0.0127(10)
Fe1 0.0418(5) 0.0544(5) 0.0769(6) 0.0060(5) 0.0131(4) 0.0009(4)
Fe2 0.0404(5) 0.0668(6) 0.0864(7) -0.0090(5) 0.0200(4) -0.0048(4)
N1 0.040(3) 0.061(3) 0.070(3) 0.009(3) 0.011(2) 0.006(2)
N2 0.031(3) 0.071(3) 0.074(3) 0.007(3) 0.005(2) -0.009(2)
O1 0.041(2) 0.074(3) 0.096(3) 0.018(2) 0.008(2) 0.0058(18)
O2 0.112(4) 0.104(4) 0.091(4) 0.032(3) 0.024(3) 0.003(3)
O3 0.113(4) 0.090(4) 0.124(4) -0.033(3) 0.021(3) 0.012(3)
O4 0.055(3) 0.104(3) 0.169(5) 0.013(3) 0.031(3) -0.023(3)
O5 0.138(5) 0.133(4) 0.098(4) 0.017(4) 0.041(4) -0.009(3)
O6 0.100(3) 0.069(3) 0.104(3) -0.011(3) 0.019(3) 0.004(3)
O7 0.056(3) 0.210(6) 0.224(6) -0.092(5) 0.061(4) -0.026(4)
C1 0.031(3) 0.054(3) 0.083(4) 0.001(3) 0.010(3) -0.001(2)
C2 0.062(4) 0.080(5) 0.069(5) -0.009(4) 0.013(4) 0.001(3)
C3 0.060(4) 0.061(4) 0.102(6) -0.004(4) 0.011(4) 0.000(3)
C4 0.067(4) 0.061(4) 0.096(5) -0.001(3) 0.027(4) -0.008(3)
C5 0.063(4) 0.079(5) 0.099(6) -0.009(5) 0.038(4) -0.012(3)
C6 0.049(4) 0.070(4) 0.077(4) -0.010(4) 0.009(3) 0.001(3)
C7 0.066(5) 0.092(5) 0.125(6) -0.038(4) 0.037(4) -0.012(4)
C8 0.046(4) 0.055(4) 0.083(5) -0.001(4) 0.013(3) 0.002(3)
C9 0.070(4) 0.089(5) 0.088(5) 0.008(4) 0.038(4) -0.003(4)
C10 0.069(5) 0.096(6) 0.116(6) 0.024(5) 0.037(5) -0.009(4)
C11 0.081(6) 0.145(8) 0.107(7) 0.046(6) 0.043(5) 0.012(5)
C12 0.109(7) 0.129(7) 0.091(6) 0.009(5) 0.036(5) 0.013(5)
C13 0.057(5) 0.123(7) 0.085(6) 0.016(5) 0.020(5) -0.006(5)
C14 0.188(9) 0.218(9) 0.088(6) -0.007(6) -0.030(6) 0.084(7)
C15 0.052(5) 0.305(12) 0.291(12) 0.189(10) 0.043(6) 0.048(6)
C16 0.162(8) 0.078(5) 0.212(9) 0.013(6) -0.033(7) 0.013(5)
C17 0.049(4) 0.075(5) 0.093(5) 0.002(4) 0.019(4) 0.016(4)
C18 0.042(5) 0.120(7) 0.115(6) 0.036(5) 0.034(4) 0.020(5)
C19 0.043(5) 0.114(7) 0.122(7) 0.023(5) 0.015(4) -0.011(5)
C20 0.048(4) 0.087(5) 0.096(5) 0.005(5) 0.010(4) -0.010(4)

_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
Si1 O1 1.646(4) . ?
Si1 C15 1.822(6) . ?
Si1 C16 1.824(6) . ?
Si1 C14 1.895(7) . ?
Fe1 C4 1.756(6) . ?
Fe1 C3 1.775(7) . ?
Fe1 C2 1.816(7) . ?
Fe1 N1 1.956(4) . ?
Fe1 C1 2.042(5) . ?
Fe1 Fe2 2.5091(12) . ?
Fe2 C7 1.749(6) . ?
Fe2 C6 1.754(6) . ?
Fe2 C5 1.790(7) . ?
Fe2 N2 1.952(4) . ?
Fe2 C1 2.036(5) . ?
N1 C17 1.328(6) . ?
N1 N2 1.333(5) . ?
N2 C20 1.326(7) . ?
O1 C1 1.427(5) . ?
O2 C2 1.130(6) . ?
O3 C3 1.141(6) . ?
O4 C4 1.152(6) . ?
O5 C5 1.159(6) . ?
O6 C6 1.159(6) . ?
O7 C7 1.143(6) . ?
C1 C8 1.504(7) . ?
C8 C9 1.362(7) . ?
C8 C13 1.391(8) . ?
C9 C10 1.375(7) . ?
C9 H1 0.9300 . ?
C10 C11 1.374(8) . ?
C10 H2 0.9300 . ?
C11 C12 1.361(9) . ?
C11 H3 0.9300 . ?
C12 C13 1.369(8) . ?
C12 H4 0.9300 . ?
C13 H5 0.92(4) . ?
C14 H6 0.9600 . ?
C14 H8 0.9600 . ?
C14 H7 0.9600 . ?
C15 H10 0.9600 . ?
C15 H11 0.9600 . ?
C15 H9C 0.9600 . ?
C16 H12 0.9600 . ?
C16 H14 0.9600 . ?
C16 H13 0.9600 . ?
C17 C18 1.378(9) . ?
C17 H15 0.92(4) . ?
C18 C19 1.338(9) . ?
C18 H16 0.96(5) . ?
C19 C20 1.373(9) . ?
C19 H17 0.926(19) . ?
C20 H18 0.953(18) . ?

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
O1 Si1 C15 103.6(3) . . ?
O1 Si1 C16 113.5(3) . . ?
C15 Si1 C16 114.1(4) . . ?
O1 Si1 C14 114.4(3) . . ?
C15 Si1 C14 108.1(4) . . ?
C16 Si1 C14 103.3(4) . . ?
C4 Fe1 C3 90.8(3) . . ?
C4 Fe1 C2 92.5(3) . . ?
C3 Fe1 C2 104.3(3) . . ?
C4 Fe1 N1 169.9(2) . . ?
C3 Fe1 N1 95.2(2) . . ?
C2 Fe1 N1 93.9(2) . . ?
C4 Fe1 C1 87.4(2) . . ?
C3 Fe1 C1 110.2(2) . . ?
C2 Fe1 C1 145.4(2) . . ?
N1 Fe1 C1 82.91(18) . . ?
C4 Fe1 Fe2 99.01(18) . . ?
C3 Fe1 Fe2 158.70(19) . . ?
C2 Fe1 Fe2 94.16(19) . . ?
N1 Fe1 Fe2 72.77(15) . . ?
C1 Fe1 Fe2 51.92(15) . . ?
C7 Fe2 C6 92.5(3) . . ?
C7 Fe2 C5 90.8(3) . . ?
C6 Fe2 C5 102.9(3) . . ?
C7 Fe2 N2 167.0(2) . . ?
C6 Fe2 N2 99.9(2) . . ?
C5 Fe2 N2 89.9(2) . . ?
C7 Fe2 C1 90.4(2) . . ?
C6 Fe2 C1 100.2(2) . . ?
C5 Fe2 C1 156.8(2) . . ?
N2 Fe2 C1 83.88(19) . . ?
C7 Fe2 Fe1 95.14(19) . . ?
C6 Fe2 Fe1 151.2(2) . . ?
C5 Fe2 Fe1 104.7(2) . . ?
N2 Fe2 Fe1 72.15(15) . . ?
C1 Fe2 Fe1 52.14(14) . . ?
C17 N1 N2 119.7(5) . . ?
C17 N1 Fe1 133.5(5) . . ?
N2 N1 Fe1 106.7(3) . . ?
C20 N2 N1 119.5(5) . . ?
C20 N2 Fe2 132.2(5) . . ?
N1 N2 Fe2 108.3(3) . . ?
C1 O1 Si1 137.0(3) . . ?
O1 C1 C8 107.4(4) . . ?
O1 C1 Fe2 116.5(3) . . ?
C8 C1 Fe2 122.9(4) . . ?
O1 C1 Fe1 114.5(3) . . ?
C8 C1 Fe1 116.9(3) . . ?
Fe2 C1 Fe1 75.94(19) . . ?
O2 C2 Fe1 176.1(6) . . ?
O3 C3 Fe1 178.5(6) . . ?
O4 C4 Fe1 178.5(6) . . ?
O5 C5 Fe2 177.4(6) . . ?
O6 C6 Fe2 176.0(5) . . ?
O7 C7 Fe2 179.6(7) . . ?
C9 C8 C13 115.5(6) . . ?
C9 C8 C1 125.8(6) . . ?
C13 C8 C1 118.7(5) . . ?
C8 C9 C10 123.2(6) . . ?
C8 C9 H1 118.4 . . ?
C10 C9 H1 118.4 . . ?
C11 C10 C9 119.4(7) . . ?
C11 C10 H2 120.3 . . ?
C9 C10 H2 120.3 . . ?
C12 C11 C10 119.3(7) . . ?
C12 C11 H3 120.3 . . ?
C10 C11 H3 120.3 . . ?
C11 C12 C13 119.8(8) . . ?
C11 C12 H4 120.1 . . ?
C13 C12 H4 120.1 . . ?
C12 C13 C8 122.7(7) . . ?
C12 C13 H5 116(3) . . ?
C8 C13 H5 121(3) . . ?
Si1 C14 H6 109.5 . . ?
Si1 C14 H8 109.5 . . ?
H6 C14 H8 109.5 . . ?
Si1 C14 H7 109.5 . . ?
H6 C14 H7 109.5 . . ?
H8 C14 H7 109.5 . . ?
Si1 C15 H10 109.5 . . ?
Si1 C15 H11 109.5 . . ?
H10 C15 H11 109.5 . . ?
Si1 C15 H9C 109.5 . . ?
H10 C15 H9C 109.5 . . ?
H11 C15 H9C 109.5 . . ?
Si1 C16 H12 109.5 . . ?
Si1 C16 H14 109.5 . . ?
H12 C16 H14 109.5 . . ?
Si1 C16 H13 109.5 . . ?
H12 C16 H13 109.5 . . ?
H14 C16 H13 109.5 . . ?
N1 C17 C18 121.6(7) . . ?
N1 C17 H15 112(3) . . ?
C18 C17 H15 126(3) . . ?
C19 C18 C17 118.6(7) . . ?
C19 C18 H16 129(3) . . ?
C17 C18 H16 113(3) . . ?
C18 C19 C20 118.3(7) . . ?
C18 C19 H17 124(4) . . ?
C20 C19 H17 118(4) . . ?
N2 C20 C19 122.1(7) . . ?
N2 C20 H18 117(3) . . ?
C19 C20 H18 121(3) . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C4 Fe1 Fe2 C7 -7.0(3) . . . . ?
C3 Fe1 Fe2 C7 -123.4(6) . . . . ?
C2 Fe1 Fe2 C7 86.2(3) . . . . ?
N1 Fe1 Fe2 C7 179.0(3) . . . . ?
C1 Fe1 Fe2 C7 -86.5(3) . . . . ?
C4 Fe1 Fe2 C6 97.8(4) . . . . ?
C3 Fe1 Fe2 C6 -18.6(6) . . . . ?
C2 Fe1 Fe2 C6 -169.0(4) . . . . ?
N1 Fe1 Fe2 C6 -76.2(4) . . . . ?
C1 Fe1 Fe2 C6 18.3(4) . . . . ?
C4 Fe1 Fe2 C5 -99.2(3) . . . . ?
C3 Fe1 Fe2 C5 144.4(6) . . . . ?
C2 Fe1 Fe2 C5 -6.0(3) . . . . ?
N1 Fe1 Fe2 C5 86.8(2) . . . . ?
C1 Fe1 Fe2 C5 -178.7(3) . . . . ?
C4 Fe1 Fe2 N2 175.7(2) . . . . ?
C3 Fe1 Fe2 N2 59.3(5) . . . . ?
C2 Fe1 Fe2 N2 -91.1(2) . . . . ?
N1 Fe1 Fe2 N2 1.70(18) . . . . ?
C1 Fe1 Fe2 N2 96.2(2) . . . . ?
C4 Fe1 Fe2 C1 79.5(3) . . . . ?
C3 Fe1 Fe2 C1 -36.9(6) . . . . ?
C2 Fe1 Fe2 C1 172.7(3) . . . . ?
N1 Fe1 Fe2 C1 -94.5(2) . . . . ?
C4 Fe1 N1 C17 140.1(13) . . . . ?
C3 Fe1 N1 C17 14.1(5) . . . . ?
C2 Fe1 N1 C17 -90.7(5) . . . . ?
C1 Fe1 N1 C17 123.9(5) . . . . ?
Fe2 Fe1 N1 C17 176.1(5) . . . . ?
C4 Fe1 N1 N2 -38.5(15) . . . . ?
C3 Fe1 N1 N2 -164.5(3) . . . . ?
C2 Fe1 N1 N2 90.7(3) . . . . ?
C1 Fe1 N1 N2 -54.7(3) . . . . ?
Fe2 Fe1 N1 N2 -2.5(3) . . . . ?
C17 N1 N2 C20 4.7(7) . . . . ?
Fe1 N1 N2 C20 -176.4(4) . . . . ?
C17 N1 N2 Fe2 -175.6(4) . . . . ?
Fe1 N1 N2 Fe2 3.2(3) . . . . ?
C7 Fe2 N2 C20 164.8(11) . . . . ?
C6 Fe2 N2 C20 -31.5(6) . . . . ?
C5 Fe2 N2 C20 71.6(6) . . . . ?
C1 Fe2 N2 C20 -130.8(5) . . . . ?
Fe1 Fe2 N2 C20 177.1(5) . . . . ?
C7 Fe2 N2 N1 -14.7(13) . . . . ?
C6 Fe2 N2 N1 148.9(3) . . . . ?
C5 Fe2 N2 N1 -108.0(4) . . . . ?
C1 Fe2 N2 N1 49.6(3) . . . . ?
Fe1 Fe2 N2 N1 -2.5(3) . . . . ?
C15 Si1 O1 C1 160.8(6) . . . . ?
C16 Si1 O1 C1 36.5(6) . . . . ?
C14 Si1 O1 C1 -81.8(6) . . . . ?
Si1 O1 C1 C8 36.6(6) . . . . ?
Si1 O1 C1 Fe2 -105.9(4) . . . . ?
Si1 O1 C1 Fe1 168.2(3) . . . . ?
C7 Fe2 C1 O1 -14.4(4) . . . . ?
C6 Fe2 C1 O1 78.2(4) . . . . ?
C5 Fe2 C1 O1 -107.4(6) . . . . ?
N2 Fe2 C1 O1 177.3(4) . . . . ?
Fe1 Fe2 C1 O1 -110.6(4) . . . . ?
C7 Fe2 C1 C8 -150.7(4) . . . . ?
C6 Fe2 C1 C8 -58.0(4) . . . . ?
C5 Fe2 C1 C8 116.4(6) . . . . ?
N2 Fe2 C1 C8 41.0(4) . . . . ?
Fe1 Fe2 C1 C8 113.1(4) . . . . ?
C7 Fe2 C1 Fe1 96.2(2) . . . . ?
C6 Fe2 C1 Fe1 -171.16(19) . . . . ?
C5 Fe2 C1 Fe1 3.2(6) . . . . ?
N2 Fe2 C1 Fe1 -72.12(17) . . . . ?
C4 Fe1 C1 O1 9.5(4) . . . . ?
C3 Fe1 C1 O1 -80.4(4) . . . . ?
C2 Fe1 C1 O1 100.2(5) . . . . ?
N1 Fe1 C1 O1 -173.3(4) . . . . ?
Fe2 Fe1 C1 O1 113.1(4) . . . . ?
C4 Fe1 C1 C8 136.4(5) . . . . ?
C3 Fe1 C1 C8 46.5(5) . . . . ?
C2 Fe1 C1 C8 -133.0(5) . . . . ?
N1 Fe1 C1 C8 -46.4(4) . . . . ?
Fe2 Fe1 C1 C8 -120.1(5) . . . . ?
C4 Fe1 C1 Fe2 -103.6(2) . . . . ?
C3 Fe1 C1 Fe2 166.5(2) . . . . ?
C2 Fe1 C1 Fe2 -12.9(4) . . . . ?
N1 Fe1 C1 Fe2 73.64(17) . . . . ?
C4 Fe1 C2 O2 32(9) . . . . ?
C3 Fe1 C2 O2 124(9) . . . . ?
N1 Fe1 C2 O2 -140(9) . . . . ?
C1 Fe1 C2 O2 -57(9) . . . . ?
Fe2 Fe1 C2 O2 -67(9) . . . . ?
C4 Fe1 C3 O3 97(21) . . . . ?
C2 Fe1 C3 O3 5(21) . . . . ?
N1 Fe1 C3 O3 -91(21) . . . . ?
C1 Fe1 C3 O3 -175(100) . . . . ?
Fe2 Fe1 C3 O3 -145(20) . . . . ?
C3 Fe1 C4 O4 5(25) . . . . ?
C2 Fe1 C4 O4 109(25) . . . . ?
N1 Fe1 C4 O4 -121(24) . . . . ?
C1 Fe1 C4 O4 -105(25) . . . . ?
Fe2 Fe1 C4 O4 -156(25) . . . . ?
C7 Fe2 C5 O5 -77(13) . . . . ?
C6 Fe2 C5 O5 -170(13) . . . . ?
N2 Fe2 C5 O5 90(13) . . . . ?
C1 Fe2 C5 O5 16(13) . . . . ?
Fe1 Fe2 C5 O5 19(13) . . . . ?
C7 Fe2 C6 O6 40(8) . . . . ?
C5 Fe2 C6 O6 132(8) . . . . ?
N2 Fe2 C6 O6 -136(8) . . . . ?
C1 Fe2 C6 O6 -51(8) . . . . ?
Fe1 Fe2 C6 O6 -65(9) . . . . ?
C6 Fe2 C7 O7 -85(78) . . . . ?
C5 Fe2 C7 O7 172(100) . . . . ?
N2 Fe2 C7 O7 79(78) . . . . ?
C1 Fe2 C7 O7 15(78) . . . . ?
Fe1 Fe2 C7 O7 67(78) . . . . ?
O1 C1 C8 C9 -114.4(6) . . . . ?
Fe2 C1 C8 C9 25.2(7) . . . . ?
Fe1 C1 C8 C9 115.4(5) . . . . ?
O1 C1 C8 C13 64.4(6) . . . . ?
Fe2 C1 C8 C13 -156.0(5) . . . . ?
Fe1 C1 C8 C13 -65.8(6) . . . . ?
C13 C8 C9 C10 1.8(9) . . . . ?
C1 C8 C9 C10 -179.4(6) . . . . ?
C8 C9 C10 C11 -0.9(10) . . . . ?
C9 C10 C11 C12 -0.8(11) . . . . ?
C10 C11 C12 C13 1.3(11) . . . . ?
C11 C12 C13 C8 -0.3(11) . . . . ?
C9 C8 C13 C12 -1.3(10) . . . . ?
C1 C8 C13 C12 179.8(6) . . . . ?
N2 N1 C17 C18 -2.5(8) . . . . ?
Fe1 N1 C17 C18 179.1(4) . . . . ?
N1 C17 C18 C19 0.3(10) . . . . ?
C17 C18 C19 C20 -0.4(11) . . . . ?
N1 N2 C20 C19 -5.0(9) . . . . ?
Fe2 N2 C20 C19 175.5(5) . . . . ?
C18 C19 C20 N2 2.8(11) . . . . ?

_diffrn_measured_fraction_theta_max 0.925
_diffrn_reflns_theta_full        28.36
_diffrn_measured_fraction_theta_full 0.925
_refine_diff_density_max         0.353
_refine_diff_density_min         -0.296
_refine_diff_density_rms         0.065