# Supplementary Material (ESI) for Dalton Transactions
# This journal is (c) The Royal Society of Chemistry 2010


data_global
_journal_name_full               'Dalton Trans.'

_journal_coden_Cambridge         0222
_journal_volume                  ?
_journal_page_first              ?
_journal_year                    ?

_publ_contact_author_name        'Sato, Hisako'
_publ_contact_author_email       hsato@chem.sci.ehime-u.ac.jp

_publ_section_title              
;
Identification of Geometrical Isomers by Means
of Vibrational Circular Dichroism Spectroscopy: A Series
of Mixed-Ligand Complexes of Diamagnetic Co(III) Ions
;
loop_
_publ_author_name
H.Sato
H.Uno
H.Nakano

# Attachment '- Co-t-c-P1.cif'

#==============================================================================

data___Co-t-c-P1
_database_code_depnum_ccdc_archive 'CCDC 789701'
#TrackingRef '- Co-t-c-P1.cif'

_audit_creation_date             2010-01-29
_audit_creation_method           'by CrystalStructure 3.8.2'
_audit_update_record             ?

#==============================================================================

# CHEMICAL DATA

_chemical_formula_sum            'C15 H15 Co F6 O6 '
_chemical_formula_moiety         'C15 H15 Co F6 O6 '
_chemical_formula_weight         464.20
_chemical_melting_point          ?
_chemical_absolute_configuration ad

#==============================================================================

# CRYSTAL DATA
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_Int_Tables_number      19
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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'

_cell_length_a                   8.0230(10)
_cell_length_b                   11.9970(16)
_cell_length_c                   19.429(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     1870.1(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    5337
_cell_measurement_theta_min      3.1
_cell_measurement_theta_max      27.5

#------------------------------------------------------------------------------

_exptl_crystal_description       platelet
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.02
_exptl_crystal_density_diffrn    1.649
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             936
_exptl_absorpt_coefficient_mu    1.004
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_absorpt_correction_T_min  0.446
_exptl_absorpt_correction_T_max  0.980
_exptl_special_details           
;
?
;
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71070
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_detector       CCD
_diffrn_measurement_device_type  'Rigaku Mercury-8 (2x2 bin mode)'
_diffrn_measurement_method       \w
_diffrn_detector_area_resol_mean 14.7059
_diffrn_reflns_number            10374
_diffrn_reflns_av_R_equivalents  0.0633
_diffrn_reflns_av_sigmaI/netI    0.0975
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         3.05
_diffrn_reflns_theta_max         27.50
_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.993

#==============================================================================

_computing_data_collection       CrystalClear
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_solution    SIR2004
_computing_structure_refinement  SHELXL97
_computing_publication_material  'CrystalStructure 3.8.2'
_computing_molecular_graphics    ?

#==============================================================================
_reflns_number_total             4246
_reflns_number_gt                2825
_reflns_threshold_expression     >2sigma(I)
_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^)+(0.0696P)^2^+4.3531P] 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    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0130(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.07(3)
_refine_ls_number_reflns         4246
_refine_ls_number_parameters     259
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1075
_refine_ls_R_factor_gt           0.0735
_refine_ls_wR_factor_ref         0.2031
_refine_ls_wR_factor_gt          0.1588
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_restrained_S_all      1.079
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.565
_refine_diff_density_min         -0.928
_refine_diff_density_rms         0.132

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_symetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.70885(11) 0.79692(7) 0.23588(5) 0.0340(3) Uani 1 1 d . . .
F1 F 0.6824(7) 0.9745(4) 0.0324(3) 0.0656(15) Uani 1 1 d . . .
F2 F 0.5381(7) 0.8501(4) -0.0181(2) 0.0602(13) Uani 1 1 d . . .
F3 F 0.4257(7) 0.9569(5) 0.0560(3) 0.0671(15) Uani 1 1 d . . .
F4 F 0.9434(5) 0.7955(4) 0.4411(2) 0.0460(10) Uani 1 1 d . . .
F5 F 0.7683(5) 0.6856(4) 0.4900(2) 0.0510(11) Uani 1 1 d . . .
F6 F 0.9530(5) 0.6195(4) 0.4215(2) 0.0477(11) Uani 1 1 d . . .
O1 O 0.6184(6) 0.8688(4) 0.1582(3) 0.0386(12) Uani 1 1 d . . .
O2 O 0.7136(6) 0.6520(4) 0.1964(2) 0.0347(10) Uani 1 1 d . . .
O3 O 0.8153(6) 0.7389(4) 0.3146(2) 0.0348(11) Uani 1 1 d . . .
O4 O 0.4885(5) 0.7634(4) 0.2654(2) 0.0344(10) Uani 1 1 d . . .
O5 O 0.6867(6) 0.9305(4) 0.2839(2) 0.0374(11) Uani 1 1 d . . .
O6 O 0.9198(6) 0.8205(4) 0.1986(2) 0.0381(11) Uani 1 1 d . . .
C1 C 0.5645(9) 0.8991(7) 0.0419(4) 0.0440(17) Uani 1 1 d . . .
C2 C 0.6079(9) 0.8186(7) 0.0998(4) 0.0416(17) Uani 1 1 d . . .
C3 C 0.6352(9) 0.7098(7) 0.0843(4) 0.0430(17) Uani 1 1 d . . .
H3 H 0.6240 0.6867 0.0378 0.052 Uiso 1 1 calc R . .
C4 C 0.6794(9) 0.6294(6) 0.1339(4) 0.0366(15) Uani 1 1 d . . .
C5 C 0.6902(11) 0.5080(6) 0.1155(4) 0.0475(19) Uani 1 1 d . . .
H5A H 0.6119 0.4655 0.1440 0.071 Uiso 1 1 calc R . .
H5B H 0.8039 0.4812 0.1238 0.071 Uiso 1 1 calc R . .
H5C H 0.6620 0.4981 0.0668 0.071 Uiso 1 1 calc R . .
C6 C 0.8496(9) 0.7048(7) 0.4304(4) 0.0398(16) Uani 1 1 d . . .
C7 C 0.7333(9) 0.7210(6) 0.3700(3) 0.0353(15) Uani 1 1 d . . .
C8 C 0.5664(8) 0.7173(6) 0.3792(3) 0.0365(15) Uani 1 1 d . . .
H8 H 0.5245 0.7044 0.4243 0.044 Uiso 1 1 calc R . .
C9 C 0.4518(8) 0.7316(6) 0.3250(4) 0.0349(15) Uani 1 1 d . . .
C10 C 0.2712(9) 0.7090(7) 0.3390(4) 0.0423(16) Uani 1 1 d . . .
H10A H 0.2550 0.6291 0.3470 0.064 Uiso 1 1 calc R . .
H10B H 0.2045 0.7324 0.2993 0.064 Uiso 1 1 calc R . .
H10C H 0.2359 0.7508 0.3798 0.064 Uiso 1 1 calc R . .
C11 C 0.7717(11) 1.0969(6) 0.3367(4) 0.0457(18) Uani 1 1 d . . .
H11A H 0.7326 1.0687 0.3813 0.068 Uiso 1 1 calc R . .
H11B H 0.6858 1.1446 0.3163 0.068 Uiso 1 1 calc R . .
H11C H 0.8740 1.1402 0.3434 0.068 Uiso 1 1 calc R . .
C12 C 0.8063(9) 1.0012(6) 0.2899(4) 0.0358(15) Uani 1 1 d . . .
C13 C 0.9578(9) 0.9939(5) 0.2561(4) 0.0381(16) Uani 1 1 d . . .
H13 H 1.0355 1.0525 0.2633 0.046 Uiso 1 1 calc R . .
C14 C 1.0050(9) 0.9090(7) 0.2129(4) 0.0411(17) Uani 1 1 d . . .
C15 C 1.1737(9) 0.9127(6) 0.1769(4) 0.0437(18) Uani 1 1 d . . .
H15A H 1.1597 0.8933 0.1282 0.066 Uiso 1 1 calc R . .
H15B H 1.2495 0.8592 0.1987 0.066 Uiso 1 1 calc R . .
H15C H 1.2205 0.9879 0.1806 0.066 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 0.0349(5) 0.0342(5) 0.0329(5) -0.0011(4) 0.0010(4) 0.0002(4)
F1 0.063(3) 0.072(3) 0.062(3) 0.029(3) -0.008(3) -0.021(3)
F2 0.078(3) 0.067(3) 0.035(2) 0.006(2) 0.000(2) 0.000(3)
F3 0.068(3) 0.086(4) 0.047(3) 0.017(3) 0.005(3) 0.032(3)
F4 0.045(2) 0.050(2) 0.043(2) 0.000(2) -0.0084(19) -0.011(2)
F5 0.042(2) 0.076(3) 0.034(2) 0.008(2) 0.0046(18) -0.001(2)
F6 0.042(2) 0.054(3) 0.047(3) 0.002(2) -0.003(2) 0.010(2)
O1 0.040(3) 0.039(3) 0.037(3) -0.004(2) 0.003(2) 0.001(2)
O2 0.034(2) 0.031(2) 0.039(3) -0.0072(19) 0.001(2) 0.002(2)
O3 0.029(2) 0.041(3) 0.035(3) -0.0024(19) 0.0003(19) 0.003(2)
O4 0.030(2) 0.041(3) 0.032(2) 0.004(2) -0.001(2) -0.0004(19)
O5 0.040(3) 0.040(3) 0.032(2) -0.0041(19) 0.001(2) -0.005(2)
O6 0.035(2) 0.040(3) 0.039(3) 0.000(2) 0.000(2) -0.002(2)
C1 0.038(4) 0.057(5) 0.037(4) 0.001(4) 0.002(3) 0.005(4)
C2 0.040(4) 0.052(5) 0.033(4) 0.001(3) 0.001(3) -0.006(4)
C3 0.054(4) 0.043(4) 0.032(4) 0.002(3) 0.005(3) 0.008(4)
C4 0.035(3) 0.041(4) 0.034(4) -0.005(3) 0.003(3) 0.005(3)
C5 0.059(5) 0.037(4) 0.046(4) -0.005(3) -0.003(4) -0.005(4)
C6 0.037(3) 0.042(4) 0.040(4) -0.002(3) 0.004(3) 0.001(4)
C7 0.042(4) 0.032(3) 0.032(3) -0.004(3) 0.004(3) -0.002(3)
C8 0.037(3) 0.041(4) 0.031(3) -0.001(3) -0.010(3) -0.006(3)
C9 0.033(3) 0.031(4) 0.041(4) 0.001(3) 0.001(3) 0.000(3)
C10 0.038(3) 0.048(4) 0.041(4) 0.002(3) 0.001(3) -0.006(4)
C11 0.060(5) 0.035(4) 0.042(4) -0.003(3) -0.001(4) 0.005(4)
C12 0.037(3) 0.031(3) 0.039(4) -0.002(3) -0.012(3) 0.009(3)
C13 0.044(4) 0.024(3) 0.047(4) 0.003(3) 0.002(3) -0.001(3)
C14 0.039(4) 0.047(4) 0.038(4) 0.009(3) 0.002(3) 0.009(3)
C15 0.040(4) 0.031(4) 0.060(5) 0.004(3) 0.010(4) 0.005(3)

_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 O5 1.862(5) . ?
Co1 O6 1.863(5) . ?
Co1 O1 1.883(5) . ?
Co1 O3 1.885(5) . ?
Co1 O2 1.901(4) . ?
Co1 O4 1.901(4) . ?
F1 C1 1.322(9) . ?
F2 C1 1.323(9) . ?
F3 C1 1.341(9) . ?
F4 C6 1.339(8) . ?
F5 C6 1.348(8) . ?
F6 C6 1.330(8) . ?
O1 C2 1.287(8) . ?
O2 C4 1.275(8) . ?
O3 C7 1.280(8) . ?
O4 C9 1.255(8) . ?
O5 C12 1.286(8) . ?
O6 C14 1.292(9) . ?
C1 C2 1.523(11) . ?
C2 C3 1.357(11) . ?
C3 C4 1.408(10) . ?
C3 H3 0.9500 . ?
C4 C5 1.502(10) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C7 1.512(10) . ?
C7 C8 1.352(10) . ?
C8 C9 1.408(9) . ?
C8 H8 0.9500 . ?
C9 C10 1.499(9) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.491(9) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.384(10) . ?
C13 C14 1.374(10) . ?
C13 H13 0.9500 . ?
C14 C15 1.524(10) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?

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
O5 Co1 O6 98.7(2) . . ?
O5 Co1 O1 88.3(2) . . ?
O6 Co1 O1 88.2(2) . . ?
O5 Co1 O3 87.4(2) . . ?
O6 Co1 O3 87.7(2) . . ?
O1 Co1 O3 173.6(2) . . ?
O5 Co1 O2 172.3(2) . . ?
O6 Co1 O2 87.9(2) . . ?
O1 Co1 O2 95.9(2) . . ?
O3 Co1 O2 88.9(2) . . ?
O5 Co1 O4 86.7(2) . . ?
O6 Co1 O4 173.8(2) . . ?
O1 Co1 O4 88.9(2) . . ?
O3 Co1 O4 95.7(2) . . ?
O2 Co1 O4 86.9(2) . . ?
C2 O1 Co1 121.2(5) . . ?
C4 O2 Co1 125.1(4) . . ?
C7 O3 Co1 120.8(4) . . ?
C9 O4 Co1 124.1(4) . . ?
C12 O5 Co1 122.8(4) . . ?
C14 O6 Co1 121.5(5) . . ?
F1 C1 F2 107.1(6) . . ?
F1 C1 F3 105.6(7) . . ?
F2 C1 F3 106.1(6) . . ?
F1 C1 C2 112.0(6) . . ?
F2 C1 C2 114.0(7) . . ?
F3 C1 C2 111.6(6) . . ?
O1 C2 C3 129.4(7) . . ?
O1 C2 C1 111.7(7) . . ?
C3 C2 C1 118.9(7) . . ?
C2 C3 C4 123.2(7) . . ?
C2 C3 H3 118.4 . . ?
C4 C3 H3 118.4 . . ?
O2 C4 C3 124.1(7) . . ?
O2 C4 C5 114.8(6) . . ?
C3 C4 C5 121.1(7) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
F6 C6 F4 107.2(5) . . ?
F6 C6 F5 106.4(6) . . ?
F4 C6 F5 106.1(6) . . ?
F6 C6 C7 112.5(6) . . ?
F4 C6 C7 111.2(6) . . ?
F5 C6 C7 113.0(6) . . ?
O3 C7 C8 128.8(7) . . ?
O3 C7 C6 111.0(6) . . ?
C8 C7 C6 120.3(6) . . ?
C7 C8 C9 122.9(7) . . ?
C7 C8 H8 118.5 . . ?
C9 C8 H8 118.5 . . ?
O4 C9 C8 125.1(6) . . ?
O4 C9 C10 116.7(6) . . ?
C8 C9 C10 118.3(6) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C12 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O5 C12 C13 124.8(6) . . ?
O5 C12 C11 115.1(7) . . ?
C13 C12 C11 120.1(7) . . ?
C14 C13 C12 125.4(7) . . ?
C14 C13 H13 117.3 . . ?
C12 C13 H13 117.3 . . ?
O6 C14 C13 126.5(7) . . ?
O6 C14 C15 113.3(7) . . ?
C13 C14 C15 120.2(7) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?

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
O5 Co1 O1 C2 175.5(5) . . . . ?
O6 Co1 O1 C2 76.8(6) . . . . ?
O2 Co1 O1 C2 -11.0(6) . . . . ?
O4 Co1 O1 C2 -97.8(6) . . . . ?
O6 Co1 O2 C4 -81.4(6) . . . . ?
O1 Co1 O2 C4 6.6(6) . . . . ?
O3 Co1 O2 C4 -169.2(6) . . . . ?
O4 Co1 O2 C4 95.1(6) . . . . ?
O5 Co1 O3 C7 69.3(5) . . . . ?
O6 Co1 O3 C7 168.1(5) . . . . ?
O2 Co1 O3 C7 -103.9(5) . . . . ?
O4 Co1 O3 C7 -17.1(5) . . . . ?
O5 Co1 O4 C9 -76.7(5) . . . . ?
O1 Co1 O4 C9 -165.0(5) . . . . ?
O3 Co1 O4 C9 10.4(5) . . . . ?
O2 Co1 O4 C9 99.0(5) . . . . ?
O6 Co1 O5 C12 -7.2(5) . . . . ?
O1 Co1 O5 C12 -95.1(5) . . . . ?
O3 Co1 O5 C12 80.1(5) . . . . ?
O4 Co1 O5 C12 176.0(5) . . . . ?
O5 Co1 O6 C14 3.1(5) . . . . ?
O1 Co1 O6 C14 91.1(5) . . . . ?
O3 Co1 O6 C14 -84.0(5) . . . . ?
O2 Co1 O6 C14 -172.9(5) . . . . ?
Co1 O1 C2 C3 9.0(11) . . . . ?
Co1 O1 C2 C1 -168.5(4) . . . . ?
F1 C1 C2 O1 63.7(8) . . . . ?
F2 C1 C2 O1 -174.5(6) . . . . ?
F3 C1 C2 O1 -54.3(9) . . . . ?
F1 C1 C2 C3 -114.0(8) . . . . ?
F2 C1 C2 C3 7.8(10) . . . . ?
F3 C1 C2 C3 127.9(8) . . . . ?
O1 C2 C3 C4 1.3(13) . . . . ?
C1 C2 C3 C4 178.6(7) . . . . ?
Co1 O2 C4 C3 1.1(10) . . . . ?
Co1 O2 C4 C5 -179.3(5) . . . . ?
C2 C3 C4 O2 -7.0(12) . . . . ?
C2 C3 C4 C5 173.3(8) . . . . ?
Co1 O3 C7 C8 14.3(10) . . . . ?
Co1 O3 C7 C6 -164.7(4) . . . . ?
F6 C6 C7 O3 -59.4(8) . . . . ?
F4 C6 C7 O3 60.8(7) . . . . ?
F5 C6 C7 O3 -179.9(6) . . . . ?
F6 C6 C7 C8 121.5(7) . . . . ?
F4 C6 C7 C8 -118.2(8) . . . . ?
F5 C6 C7 C8 1.0(10) . . . . ?
O3 C7 C8 C9 1.2(13) . . . . ?
C6 C7 C8 C9 -179.9(7) . . . . ?
Co1 O4 C9 C8 0.9(10) . . . . ?
Co1 O4 C9 C10 180.0(5) . . . . ?
C7 C8 C9 O4 -9.9(12) . . . . ?
C7 C8 C9 C10 171.0(7) . . . . ?
Co1 O5 C12 C13 7.5(9) . . . . ?
Co1 O5 C12 C11 -173.3(4) . . . . ?
O5 C12 C13 C14 -2.1(12) . . . . ?
C11 C12 C13 C14 178.7(7) . . . . ?
Co1 O6 C14 C13 1.0(10) . . . . ?
Co1 O6 C14 C15 -179.7(5) . . . . ?
C12 C13 C14 O6 -2.7(12) . . . . ?
C12 C13 C14 C15 178.1(7) . . . . ?