# Electronic Supplementary Material (ESI) for RSC Advances
# This journal is © The Royal Society of Chemistry 2013


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#  This CIF contains data from an original supplementary publication 
#  deposited with the CCDC, and may include chemical, crystal,   
#  experimental, refinement, atomic coordinates, 
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted. 
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data_1
_database_code_depnum_ccdc_archive 'CCDC 903562'
#TrackingRef '14317_web_deposit_cif_file_0_HuiGao_1348800535.1.cif'
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C34 H31 Co Fe O P2 S2'
_chemical_formula_weight         696.43
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_symmetry_cell_setting           ?
_symmetry_space_group_name_H-M   ?
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'
_cell_length_a                   16.0226(10)
_cell_length_b                   21.7926(11)
_cell_length_c                   8.8475(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     3089.3(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    393(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?
_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.14
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.497
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1432
_exptl_absorpt_coefficient_mu    1.272
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.6301
_exptl_absorpt_correction_T_max  0.8420
_exptl_absorpt_process_details   ?
_exptl_special_details           
;
?
;
_diffrn_ambient_temperature      393(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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19007
_diffrn_reflns_av_R_equivalents  0.0882
_diffrn_reflns_av_sigmaI/netI    0.0515
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         1.87
_diffrn_reflns_theta_max         28.31
_reflns_number_total             3903
_reflns_number_gt                3110
_reflns_threshold_expression     >2sigma(I)
_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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^)+(0.0501P)^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         3903
_refine_ls_number_parameters     193
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0471
_refine_ls_R_factor_gt           0.0352
_refine_ls_wR_factor_ref         0.0904
_refine_ls_wR_factor_gt          0.0862
_refine_ls_goodness_of_fit_ref   0.980
_refine_ls_restrained_S_all      0.980
_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
Co1 Co 0.16010(2) 0.2500 0.97061(4) 0.02089(11) Uani 1 2 d S . .
Fe1 Fe 0.29958(2) 0.2500 0.84299(5) 0.01726(11) Uani 1 2 d S . .
P1 P 0.37269(3) 0.31906(2) 0.96780(6) 0.02037(13) Uani 1 1 d . . .
S4 S 0.19625(3) 0.31631(2) 0.79897(6) 0.02266(13) Uani 1 1 d . . .
O1 O 0.36889(15) 0.2500 0.5394(3) 0.0375(5) Uani 1 2 d S . .
C2 C 0.45027(12) 0.28035(8) 1.0836(3) 0.0266(4) Uani 1 1 d . . .
H2 H 0.4886 0.3024 1.1408 0.032 Uiso 1 1 calc R . .
C17 C 0.12469(14) 0.30252(9) 1.1528(3) 0.0293(5) Uani 1 1 d . . .
H17 H 0.1405 0.3431 1.1687 0.035 Uiso 1 1 calc R . .
C9 C 0.32140(13) 0.36982(8) 1.1049(3) 0.0248(4) Uani 1 1 d . . .
C1 C 0.34768(17) 0.2500 0.6649(4) 0.0227(6) Uani 1 2 d S . .
C3 C 0.43712(12) 0.37608(8) 0.8678(3) 0.0260(5) Uani 1 1 d . . .
C15 C 0.14703(14) 0.28475(9) 0.6282(3) 0.0336(5) Uani 1 1 d . . .
H15A H 0.0900 0.2994 0.6218 0.040 Uiso 1 1 calc R . .
H15B H 0.1768 0.2994 0.5398 0.040 Uiso 1 1 calc R . .
C18 C 0.05305(13) 0.28234(9) 1.0715(3) 0.0303(5) Uani 1 1 d . . .
H18 H 0.0133 0.3074 1.0264 0.036 Uiso 1 1 calc R . .
C10 C 0.27465(14) 0.41955(8) 1.0498(3) 0.0297(5) Uani 1 1 d . . .
H10 H 0.2732 0.4275 0.9465 0.036 Uiso 1 1 calc R . .
C8 C 0.49813(16) 0.40929(11) 0.9432(3) 0.0476(7) Uani 1 1 d . . .
H8 H 0.5051 0.4041 1.0468 0.057 Uiso 1 1 calc R . .
C14 C 0.32263(14) 0.35866(10) 1.2597(3) 0.0321(5) Uani 1 1 d . . .
H14 H 0.3535 0.3260 1.2978 0.039 Uiso 1 1 calc R . .
C16 C 0.16743(19) 0.2500 1.2050(4) 0.0299(7) Uani 1 2 d S . .
H16 H 0.2156 0.2500 1.2638 0.036 Uiso 1 2 calc SR . .
C13 C 0.27774(17) 0.39628(11) 1.3581(3) 0.0437(6) Uani 1 1 d . . .
H13 H 0.2788 0.3886 1.4615 0.052 Uiso 1 1 calc R . .
C11 C 0.23057(16) 0.45681(9) 1.1490(3) 0.0401(6) Uani 1 1 d . . .
H11 H 0.2002 0.4899 1.1119 0.048 Uiso 1 1 calc R . .
C6 C 0.53889(18) 0.45884(12) 0.7142(4) 0.0570(8) Uani 1 1 d . . .
H6 H 0.5737 0.4857 0.6624 0.068 Uiso 1 1 calc R . .
C5 C 0.4771(2) 0.42775(11) 0.6370(4) 0.0586(8) Uani 1 1 d . . .
H5 H 0.4691 0.4345 0.5342 0.070 Uiso 1 1 calc R . .
C12 C 0.23156(17) 0.44505(10) 1.3019(3) 0.0462(7) Uani 1 1 d . . .
H12 H 0.2012 0.4698 1.3676 0.055 Uiso 1 1 calc R . .
C4 C 0.42697(17) 0.38627(10) 0.7146(3) 0.0428(6) Uani 1 1 d . . .
H4 H 0.3858 0.3649 0.6624 0.051 Uiso 1 1 calc R . .
C7 C 0.54917(17) 0.45046(12) 0.8653(4) 0.0599(9) Uani 1 1 d . . .
H7 H 0.5903 0.4722 0.9168 0.072 Uiso 1 1 calc R . .
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
Co1 0.0190(2) 0.02402(18) 0.0197(2) 0.000 0.00250(15) 0.000
Fe1 0.01603(19) 0.01892(17) 0.0168(2) 0.000 -0.00188(15) 0.000
P1 0.0207(3) 0.0182(2) 0.0223(3) 0.00048(19) -0.0037(2) -0.00126(18)
S4 0.0205(2) 0.0244(2) 0.0231(3) 0.0029(2) -0.0014(2) 0.00308(18)
O1 0.0377(13) 0.0447(12) 0.0302(14) 0.000 0.0100(11) 0.000
C2 0.0241(10) 0.0277(9) 0.0280(12) -0.0015(9) -0.0097(9) -0.0042(8)
C17 0.0293(11) 0.0314(10) 0.0272(12) -0.0052(9) 0.0076(9) -0.0014(8)
C9 0.0298(10) 0.0198(8) 0.0247(11) -0.0040(8) -0.0015(9) -0.0067(7)
C1 0.0195(13) 0.0226(12) 0.0259(17) 0.000 0.0013(12) 0.000
C3 0.0233(10) 0.0203(8) 0.0344(13) 0.0019(8) 0.0032(9) 0.0004(7)
C15 0.0323(12) 0.0414(12) 0.0271(13) 0.0013(10) -0.0121(10) 0.0029(9)
C18 0.0228(10) 0.0375(10) 0.0306(13) 0.0000(10) 0.0071(9) 0.0073(9)
C10 0.0386(12) 0.0198(8) 0.0306(13) 0.0000(8) 0.0051(10) -0.0010(8)
C8 0.0423(14) 0.0453(13) 0.0551(19) 0.0127(12) -0.0143(13) -0.0176(11)
C14 0.0407(13) 0.0318(10) 0.0238(12) -0.0017(9) -0.0034(10) -0.0087(9)
C16 0.0263(15) 0.0416(16) 0.0217(17) 0.000 0.0043(13) 0.000
C13 0.0582(16) 0.0478(13) 0.0250(13) -0.0103(11) 0.0062(12) -0.0175(12)
C11 0.0498(15) 0.0208(9) 0.0497(17) -0.0046(10) 0.0105(13) 0.0005(9)
C6 0.0502(16) 0.0400(13) 0.081(2) 0.0201(15) 0.0221(16) -0.0065(12)
C5 0.096(2) 0.0361(12) 0.0438(18) 0.0099(12) 0.0200(17) -0.0122(14)
C12 0.0579(16) 0.0337(12) 0.0470(17) -0.0213(11) 0.0165(14) -0.0098(11)
C4 0.0597(16) 0.0316(11) 0.0371(15) 0.0049(11) -0.0019(13) -0.0098(11)
C7 0.0389(15) 0.0480(14) 0.093(3) 0.0210(16) -0.0121(16) -0.0219(12)
_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
Co1 C17 2.057(2) . ?
Co1 C17 2.057(2) 7_565 ?
Co1 C18 2.058(2) 7_565 ?
Co1 C18 2.058(2) . ?
Co1 C16 2.077(3) . ?
Co1 S4 2.1748(6) 7_565 ?
Co1 S4 2.1748(6) . ?
Co1 Fe1 2.5038(5) . ?
Fe1 C1 1.754(3) . ?
Fe1 P1 2.2038(5) . ?
Fe1 P1 2.2038(5) 7_565 ?
Fe1 S4 2.2318(5) 7_565 ?
Fe1 S4 2.2318(5) . ?
P1 C2 1.819(2) . ?
P1 C9 1.836(2) . ?
P1 C3 1.842(2) . ?
S4 C15 1.838(2) . ?
O1 C1 1.161(4) . ?
C2 C2 1.323(4) 7_565 ?
C2 H2 0.9300 . ?
C17 C16 1.411(3) . ?
C17 C18 1.424(3) . ?
C17 H17 0.9300 . ?
C9 C14 1.392(3) . ?
C9 C10 1.405(3) . ?
C3 C4 1.383(3) . ?
C3 C8 1.388(3) . ?
C15 C15 1.515(4) 7_565 ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C18 C18 1.409(4) 7_565 ?
C18 H18 0.9300 . ?
C10 C11 1.389(3) . ?
C10 H10 0.9300 . ?
C8 C7 1.396(4) . ?
C8 H8 0.9300 . ?
C14 C13 1.395(3) . ?
C14 H14 0.9300 . ?
C16 C17 1.411(3) 7_565 ?
C16 H16 0.9300 . ?
C13 C12 1.387(4) . ?
C13 H13 0.9300 . ?
C11 C12 1.377(4) . ?
C11 H11 0.9300 . ?
C6 C7 1.359(4) . ?
C6 C5 1.380(4) . ?
C6 H6 0.9300 . ?
C5 C4 1.391(4) . ?
C5 H5 0.9300 . ?
C12 H12 0.9300 . ?
C4 H4 0.9300 . ?
C7 H7 0.9300 . ?
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
C17 Co1 C17 67.62(12) . 7_565 ?
C17 Co1 C18 67.70(9) . 7_565 ?
C17 Co1 C18 40.49(9) 7_565 7_565 ?
C17 Co1 C18 40.49(9) . . ?
C17 Co1 C18 67.70(9) 7_565 . ?
C18 Co1 C18 40.05(11) 7_565 . ?
C17 Co1 C16 39.92(7) . . ?
C17 Co1 C16 39.92(8) 7_565 . ?
C18 Co1 C16 67.29(10) 7_565 . ?
C18 Co1 C16 67.29(10) . . ?
C17 Co1 S4 172.08(6) . 7_565 ?
C17 Co1 S4 104.54(6) 7_565 7_565 ?
C18 Co1 S4 107.30(6) 7_565 7_565 ?
C18 Co1 S4 138.80(7) . 7_565 ?
C16 Co1 S4 133.01(4) . 7_565 ?
C17 Co1 S4 104.54(6) . . ?
C17 Co1 S4 172.08(6) 7_565 . ?
C18 Co1 S4 138.80(6) 7_565 . ?
C18 Co1 S4 107.30(6) . . ?
C16 Co1 S4 133.01(4) . . ?
S4 Co1 S4 83.28(3) 7_565 . ?
C17 Co1 Fe1 126.85(6) . . ?
C17 Co1 Fe1 126.85(6) 7_565 . ?
C18 Co1 Fe1 159.96(6) 7_565 . ?
C18 Co1 Fe1 159.96(6) . . ?
C16 Co1 Fe1 113.56(8) . . ?
S4 Co1 Fe1 56.456(16) 7_565 . ?
S4 Co1 Fe1 56.456(16) . . ?
C1 Fe1 P1 102.51(7) . . ?
C1 Fe1 P1 102.51(7) . 7_565 ?
P1 Fe1 P1 86.14(3) . 7_565 ?
C1 Fe1 S4 99.74(7) . 7_565 ?
P1 Fe1 S4 157.51(3) . 7_565 ?
P1 Fe1 S4 92.267(19) 7_565 7_565 ?
C1 Fe1 S4 99.74(7) . . ?
P1 Fe1 S4 92.267(19) . . ?
P1 Fe1 S4 157.51(3) 7_565 . ?
S4 Fe1 S4 80.71(3) 7_565 . ?
C1 Fe1 Co1 142.87(9) . . ?
P1 Fe1 Co1 104.39(2) . . ?
P1 Fe1 Co1 104.39(2) 7_565 . ?
S4 Fe1 Co1 54.310(16) 7_565 . ?
S4 Fe1 Co1 54.310(16) . . ?
C2 P1 C9 102.32(10) . . ?
C2 P1 C3 101.57(9) . . ?
C9 P1 C3 99.31(9) . . ?
C2 P1 Fe1 109.20(6) . . ?
C9 P1 Fe1 120.31(7) . . ?
C3 P1 Fe1 121.19(8) . . ?
C15 S4 Co1 102.19(7) . . ?
C15 S4 Fe1 102.68(7) . . ?
Co1 S4 Fe1 69.234(19) . . ?
C2 C2 P1 117.64(6) 7_565 . ?
C2 C2 H2 121.2 7_565 . ?
P1 C2 H2 121.2 . . ?
C16 C17 C18 107.81(19) . . ?
C16 C17 Co1 70.81(15) . . ?
C18 C17 Co1 69.80(12) . . ?
C16 C17 H17 126.1 . . ?
C18 C17 H17 126.1 . . ?
Co1 C17 H17 124.9 . . ?
C14 C9 C10 119.0(2) . . ?
C14 C9 P1 122.59(16) . . ?
C10 C9 P1 118.32(17) . . ?
O1 C1 Fe1 171.0(3) . . ?
C4 C3 C8 118.1(2) . . ?
C4 C3 P1 120.89(16) . . ?
C8 C3 P1 121.04(19) . . ?
C15 C15 S4 111.98(7) 7_565 . ?
C15 C15 H15A 109.2 7_565 . ?
S4 C15 H15A 109.2 . . ?
C15 C15 H15B 109.2 7_565 . ?
S4 C15 H15B 109.2 . . ?
H15A C15 H15B 107.9 . . ?
C18 C18 C17 107.99(12) 7_565 . ?
C18 C18 Co1 69.98(6) 7_565 . ?
C17 C18 Co1 69.70(12) . . ?
C18 C18 H18 126.0 7_565 . ?
C17 C18 H18 126.0 . . ?
Co1 C18 H18 125.9 . . ?
C11 C10 C9 120.2(2) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C3 C8 C7 120.7(3) . . ?
C3 C8 H8 119.7 . . ?
C7 C8 H8 119.7 . . ?
C9 C14 C13 120.3(2) . . ?
C9 C14 H14 119.9 . . ?
C13 C14 H14 119.9 . . ?
C17 C16 C17 108.4(3) 7_565 . ?
C17 C16 Co1 69.26(16) 7_565 . ?
C17 C16 Co1 69.26(16) . . ?
C17 C16 H16 125.8 7_565 . ?
C17 C16 H16 125.8 . . ?
Co1 C16 H16 127.2 . . ?
C12 C13 C14 120.1(2) . . ?
C12 C13 H13 119.9 . . ?
C14 C13 H13 119.9 . . ?
C12 C11 C10 120.4(2) . . ?
C12 C11 H11 119.8 . . ?
C10 C11 H11 119.8 . . ?
C7 C6 C5 120.5(2) . . ?
C7 C6 H6 119.7 . . ?
C5 C6 H6 119.7 . . ?
C6 C5 C4 119.3(3) . . ?
C6 C5 H5 120.4 . . ?
C4 C5 H5 120.4 . . ?
C11 C12 C13 120.0(2) . . ?
C11 C12 H12 120.0 . . ?
C13 C12 H12 120.0 . . ?
C3 C4 C5 121.4(2) . . ?
C3 C4 H4 119.3 . . ?
C5 C4 H4 119.3 . . ?
C6 C7 C8 120.1(3) . . ?
C6 C7 H7 120.0 . . ?
C8 C7 H7 120.0 . . ?
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
C17 Co1 Fe1 C1 -135.95(8) . . . . ?
C17 Co1 Fe1 C1 135.95(8) 7_565 . . . ?
C18 Co1 Fe1 C1 91.9(2) 7_565 . . . ?
C18 Co1 Fe1 C1 -91.9(2) . . . . ?
C16 Co1 Fe1 C1 180.0 . . . . ?
S4 Co1 Fe1 C1 52.867(18) 7_565 . . . ?
S4 Co1 Fe1 C1 -52.867(18) . . . . ?
C17 Co1 Fe1 P1 -0.78(8) . . . . ?
C17 Co1 Fe1 P1 -88.88(8) 7_565 . . . ?
C18 Co1 Fe1 P1 -132.9(2) 7_565 . . . ?
C18 Co1 Fe1 P1 43.3(2) . . . . ?
C16 Co1 Fe1 P1 -44.832(16) . . . . ?
S4 Co1 Fe1 P1 -171.96(2) 7_565 . . . ?
S4 Co1 Fe1 P1 82.30(2) . . . . ?
C17 Co1 Fe1 P1 88.88(8) . . . 7_565 ?
C17 Co1 Fe1 P1 0.78(8) 7_565 . . 7_565 ?
C18 Co1 Fe1 P1 -43.3(2) 7_565 . . 7_565 ?
C18 Co1 Fe1 P1 132.9(2) . . . 7_565 ?
C16 Co1 Fe1 P1 44.832(16) . . . 7_565 ?
S4 Co1 Fe1 P1 -82.30(2) 7_565 . . 7_565 ?
S4 Co1 Fe1 P1 171.96(2) . . . 7_565 ?
C17 Co1 Fe1 S4 171.18(8) . . . 7_565 ?
C17 Co1 Fe1 S4 83.08(8) 7_565 . . 7_565 ?
C18 Co1 Fe1 S4 39.0(2) 7_565 . . 7_565 ?
C18 Co1 Fe1 S4 -144.8(2) . . . 7_565 ?
C16 Co1 Fe1 S4 127.133(18) . . . 7_565 ?
S4 Co1 Fe1 S4 -105.73(4) . . . 7_565 ?
C17 Co1 Fe1 S4 -83.08(8) . . . . ?
C17 Co1 Fe1 S4 -171.18(8) 7_565 . . . ?
C18 Co1 Fe1 S4 144.8(2) 7_565 . . . ?
C18 Co1 Fe1 S4 -39.0(2) . . . . ?
C16 Co1 Fe1 S4 -127.133(18) . . . . ?
S4 Co1 Fe1 S4 105.73(4) 7_565 . . . ?
C1 Fe1 P1 C2 -98.39(10) . . . . ?
P1 Fe1 P1 C2 3.58(8) 7_565 . . . ?
S4 Fe1 P1 C2 90.19(9) 7_565 . . . ?
S4 Fe1 P1 C2 161.11(8) . . . . ?
Co1 Fe1 P1 C2 107.45(8) . . . . ?
C1 Fe1 P1 C9 143.88(10) . . . . ?
P1 Fe1 P1 C9 -114.15(8) 7_565 . . . ?
S4 Fe1 P1 C9 -27.54(10) 7_565 . . . ?
S4 Fe1 P1 C9 43.38(8) . . . . ?
Co1 Fe1 P1 C9 -10.28(8) . . . . ?
C1 Fe1 P1 C3 18.93(10) . . . . ?
P1 Fe1 P1 C3 120.90(7) 7_565 . . . ?
S4 Fe1 P1 C3 -152.49(8) 7_565 . . . ?
S4 Fe1 P1 C3 -81.57(8) . . . . ?
Co1 Fe1 P1 C3 -135.23(7) . . . . ?
C17 Co1 S4 C15 -136.05(10) . . . . ?
C17 Co1 S4 C15 -143.8(5) 7_565 . . . ?
C18 Co1 S4 C15 -63.44(12) 7_565 . . . ?
C18 Co1 S4 C15 -93.96(10) . . . . ?
C16 Co1 S4 C15 -168.75(13) . . . . ?
S4 Co1 S4 C15 45.23(8) 7_565 . . . ?
Fe1 Co1 S4 C15 99.11(8) . . . . ?
C17 Co1 S4 Fe1 124.85(7) . . . . ?
C17 Co1 S4 Fe1 117.1(5) 7_565 . . . ?
C18 Co1 S4 Fe1 -162.54(10) 7_565 . . . ?
C18 Co1 S4 Fe1 166.94(7) . . . . ?
C16 Co1 S4 Fe1 92.15(11) . . . . ?
S4 Co1 S4 Fe1 -53.88(2) 7_565 . . . ?
C1 Fe1 S4 C15 52.37(10) . . . . ?
P1 Fe1 S4 C15 155.47(8) . . . . ?
P1 Fe1 S4 C15 -119.13(9) 7_565 . . . ?
S4 Fe1 S4 C15 -46.01(8) 7_565 . . . ?
Co1 Fe1 S4 C15 -98.40(8) . . . . ?
C1 Fe1 S4 Co1 150.77(6) . . . . ?
P1 Fe1 S4 Co1 -106.12(2) . . . . ?
P1 Fe1 S4 Co1 -20.73(6) 7_565 . . . ?
S4 Fe1 S4 Co1 52.39(2) 7_565 . . . ?
C9 P1 C2 C2 125.59(7) . . . 7_565 ?
C3 P1 C2 C2 -132.07(7) . . . 7_565 ?
Fe1 P1 C2 C2 -2.95(7) . . . 7_565 ?
C17 Co1 C17 C16 36.84(16) 7_565 . . . ?
C18 Co1 C17 C16 80.79(15) 7_565 . . . ?
C18 Co1 C17 C16 118.24(19) . . . . ?
S4 Co1 C17 C16 28.8(5) 7_565 . . . ?
S4 Co1 C17 C16 -142.01(13) . . . . ?
Fe1 Co1 C17 C16 -83.27(14) . . . . ?
C17 Co1 C17 C18 -81.40(13) 7_565 . . . ?
C18 Co1 C17 C18 -37.45(13) 7_565 . . . ?
C16 Co1 C17 C18 -118.24(19) . . . . ?
S4 Co1 C17 C18 -89.5(5) 7_565 . . . ?
S4 Co1 C17 C18 99.75(12) . . . . ?
Fe1 Co1 C17 C18 158.48(10) . . . . ?
C2 P1 C9 C14 -22.51(19) . . . . ?
C3 P1 C9 C14 -126.62(17) . . . . ?
Fe1 P1 C9 C14 98.66(17) . . . . ?
C2 P1 C9 C10 161.75(16) . . . . ?
C3 P1 C9 C10 57.64(17) . . . . ?
Fe1 P1 C9 C10 -77.08(16) . . . . ?
P1 Fe1 C1 O1 -135.61(2) . . . . ?
P1 Fe1 C1 O1 135.61(2) 7_565 . . . ?
S4 Fe1 C1 O1 41.069(19) 7_565 . . . ?
S4 Fe1 C1 O1 -41.069(19) . . . . ?
Co1 Fe1 C1 O1 0.000(3) . . . . ?
C2 P1 C3 C4 135.93(19) . . . . ?
C9 P1 C3 C4 -119.34(19) . . . . ?
Fe1 P1 C3 C4 14.9(2) . . . . ?
C2 P1 C3 C8 -43.0(2) . . . . ?
C9 P1 C3 C8 61.7(2) . . . . ?
Fe1 P1 C3 C8 -164.07(17) . . . . ?
Co1 S4 C15 C15 -34.90(5) . . . 7_565 ?
Fe1 S4 C15 C15 36.25(5) . . . 7_565 ?
C16 C17 C18 C18 -1.2(2) . . . 7_565 ?
Co1 C17 C18 C18 59.74(6) . . . 7_565 ?
C16 C17 C18 Co1 -60.92(18) . . . . ?
C17 Co1 C18 C18 -119.02(11) . . . 7_565 ?
C17 Co1 C18 C18 -37.86(8) 7_565 . . 7_565 ?
C16 Co1 C18 C18 -81.23(5) . . . 7_565 ?
S4 Co1 C18 C18 48.90(6) 7_565 . . 7_565 ?
S4 Co1 C18 C18 148.67(5) . . . 7_565 ?
Fe1 Co1 C18 C18 -178.0(2) . . . 7_565 ?
C17 Co1 C18 C17 81.17(17) 7_565 . . . ?
C18 Co1 C18 C17 119.02(11) 7_565 . . . ?
C16 Co1 C18 C17 37.80(11) . . . . ?
S4 Co1 C18 C17 167.93(10) 7_565 . . . ?
S4 Co1 C18 C17 -92.30(12) . . . . ?
Fe1 Co1 C18 C17 -58.9(3) . . . . ?
C14 C9 C10 C11 0.1(3) . . . . ?
P1 C9 C10 C11 175.97(17) . . . . ?
C4 C3 C8 C7 -1.8(4) . . . . ?
P1 C3 C8 C7 177.2(2) . . . . ?
C10 C9 C14 C13 0.2(3) . . . . ?
P1 C9 C14 C13 -175.48(17) . . . . ?
C18 C17 C16 C17 1.9(3) . . . 7_565 ?
Co1 C17 C16 C17 -58.4(2) . . . 7_565 ?
C18 C17 C16 Co1 60.28(16) . . . . ?
C17 Co1 C16 C17 120.2(3) . . . 7_565 ?
C18 Co1 C16 C17 38.33(13) 7_565 . . 7_565 ?
C18 Co1 C16 C17 81.90(15) . . . 7_565 ?
S4 Co1 C16 C17 -54.57(18) 7_565 . . 7_565 ?
S4 Co1 C16 C17 174.80(10) . . . 7_565 ?
Fe1 Co1 C16 C17 -119.88(13) . . . 7_565 ?
C17 Co1 C16 C17 -120.2(3) 7_565 . . . ?
C18 Co1 C16 C17 -81.90(15) 7_565 . . . ?
C18 Co1 C16 C17 -38.33(13) . . . . ?
S4 Co1 C16 C17 -174.80(10) 7_565 . . . ?
S4 Co1 C16 C17 54.57(18) . . . . ?
Fe1 Co1 C16 C17 119.88(13) . . . . ?
C9 C14 C13 C12 0.0(3) . . . . ?
C9 C10 C11 C12 -0.7(3) . . . . ?
C7 C6 C5 C4 -1.9(4) . . . . ?
C10 C11 C12 C13 0.9(4) . . . . ?
C14 C13 C12 C11 -0.6(4) . . . . ?
C8 C3 C4 C5 1.1(4) . . . . ?
P1 C3 C4 C5 -177.9(2) . . . . ?
C6 C5 C4 C3 0.8(4) . . . . ?
C5 C6 C7 C8 1.2(5) . . . . ?
C3 C8 C7 C6 0.7(4) . . . . ?
_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        28.31
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         0.438
_refine_diff_density_min         -0.403
_refine_diff_density_rms         0.080