#------------------------------------------------------------------------------
#$Date: 2016-03-21 08:07:11 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178595 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/06/4070676.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_4070676
loop_
_publ_author_name
'Mayer, Ulrich F. J.'
'Charmant, Jonathan P. H.'
'Rae, James'
'Manners, Ian'
_publ_section_title
;
 Synthesis and Structures of Strained, Neutral [d7] and Cationic [d6]
 Hydrocarbon-Bridged [n]Cobaltocenophanes (n= 2, 3)
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1524
_journal_paper_doi               10.1021/om700941v
_journal_volume                  27
_journal_year                    2008
_chemical_formula_moiety         'C12 H12 Co'
_chemical_formula_sum            'C12 H12 Co'
_chemical_formula_weight         215.15
_space_group_IT_number           165
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            18
_cell_length_a                   24.747(4)
_cell_length_b                   24.747(4)
_cell_length_c                   7.4616(15)
_cell_measurement_reflns_used    4077
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      2.9
_cell_volume                     3957.4(12)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker-AXS D8'
_diffrn_measurement_method       'ω 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  0.0500
_diffrn_reflns_av_sigmaI/netI    0.0268
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            27394
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         0.95
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.890
_exptl_absorpt_correction_T_max  0.83
_exptl_absorpt_correction_T_min  0.68
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS v2.05 (Sheldrick, 2003)'
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    1.625
_exptl_crystal_density_method    none
_exptl_crystal_description       block
_exptl_crystal_F_000             1998
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.149
_refine_diff_density_min         -2.508
_refine_diff_density_rms         0.183
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.136
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     177
_refine_ls_number_reflns         3036
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.136
_refine_ls_R_factor_all          0.0819
_refine_ls_R_factor_gt           0.0677
_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)+(0.0685P)²+75.2522P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2163
_refine_ls_wR_factor_ref         0.2278
_reflns_number_gt                2406
_reflns_number_total             3036
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            om700941v-file003.cif
_cod_data_source_block           5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        3957.4(11)
_cod_database_code               4070676
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, 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
C1 C 0.1373(3) 0.4808(3) 1.0724(9) 0.0136(13) Uani 1 1 d .
H1 H 0.1682 0.4784 1.1422 0.016 Uiso 1 1 calc R
C2 C 0.0719(3) 0.4363(3) 1.0738(9) 0.0142(13) Uani 1 1 d .
H2 H 0.0519 0.3994 1.1442 0.017 Uiso 1 1 calc R
C3 C 0.0418(3) 0.4570(3) 0.9515(9) 0.0143(13) Uani 1 1 d .
H3 H -0.0017 0.4368 0.9264 0.017 Uiso 1 1 calc R
C4 C 0.0893(3) 0.5137(3) 0.8737(9) 0.0151(13) Uani 1 1 d .
H4 H 0.0824 0.5374 0.7857 0.018 Uiso 1 1 calc R
C5 C 0.1486(3) 0.5296(3) 0.9479(8) 0.0131(13) Uani 1 1 d .
C6 C 0.2107(3) 0.5765(3) 0.8673(9) 0.0153(13) Uani 1 1 d .
H6A H 0.2382 0.6045 0.9630 0.018 Uiso 1 1 calc R
H6B H 0.2041 0.6024 0.7786 0.018 Uiso 1 1 calc R
C7 C 0.2434(3) 0.5444(3) 0.7742(9) 0.0139(13) Uani 1 1 d .
H7A H 0.2725 0.5727 0.6821 0.017 Uiso 1 1 calc R
H7B H 0.2681 0.5365 0.8641 0.017 Uiso 1 1 calc R
C8 C 0.1971(3) 0.4832(3) 0.6868(8) 0.0132(13) Uani 1 1 d .
C9 C 0.1803(3) 0.4231(3) 0.7580(9) 0.0136(13) Uani 1 1 d .
H9 H 0.2027 0.4150 0.8474 0.016 Uiso 1 1 calc R
C10 C 0.1240(3) 0.3769(3) 0.6719(9) 0.0158(13) Uani 1 1 d .
H10 H 0.1031 0.3332 0.6932 0.019 Uiso 1 1 calc R
C11 C 0.1053(3) 0.4080(3) 0.5507(9) 0.0163(14) Uani 1 1 d .
H11 H 0.0697 0.3890 0.4750 0.020 Uiso 1 1 calc R
C12 C 0.1495(3) 0.4732(3) 0.5616(9) 0.0152(13) Uani 1 1 d .
H12 H 0.1474 0.5049 0.4955 0.018 Uiso 1 1 calc R
Co1 Co 0.11119(4) 0.44500(4) 0.81414(11) 0.0105(3) Uani 1 1 d .
C13 C 0.0116(3) 0.1982(3) -0.0036(9) 0.0140(13) Uani 1 1 d .
H13 H -0.0215 0.1675 -0.0742 0.017 Uiso 1 1 calc R
C14 C 0.0329(3) 0.2639(3) -0.0057(9) 0.0175(14) Uani 1 1 d .
H14 H 0.0166 0.2841 -0.0775 0.021 Uiso 1 1 calc R
C15 C 0.0823(3) 0.2931(3) 0.1176(9) 0.0169(14) Uani 1 1 d .
H15 H 0.1057 0.3365 0.1426 0.020 Uiso 1 1 calc R
C16 C 0.0911(3) 0.2458(3) 0.1984(9) 0.0144(13) Uani 1 1 d .
H16 H 0.1208 0.2524 0.2889 0.017 Uiso 1 1 calc R
C17 C 0.0480(3) 0.1867(3) 0.1210(8) 0.0131(13) Uani 1 1 d .
C18 C 0.0326(3) 0.1247(3) 0.2005(9) 0.0157(14) Uani 1 1 d .
H18A H 0.0657 0.1310 0.2867 0.019 Uiso 1 1 calc R
H18B H 0.0320 0.0970 0.1039 0.019 Uiso 1 1 calc R
Co2 Co 0.0000 0.22419(5) 0.2500 0.0122(3) Uani 1 2 d S
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'
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
C2 C1 C5 108.7(6) . .
C2 C1 Co1 71.9(4) . .
C5 C1 Co1 69.4(4) . .
C2 C1 H1 125.7 . .
C5 C1 H1 125.7 . .
Co1 C1 H1 124.7 . .
C3 C2 C1 108.3(6) . .
C3 C2 Co1 71.1(4) . .
C1 C2 Co1 68.4(4) . .
C3 C2 H2 125.9 . .
C1 C2 H2 125.9 . .
Co1 C2 H2 126.3 . .
C2 C3 C4 107.0(6) . .
C2 C3 Co1 70.0(4) . .
C4 C3 Co1 67.6(4) . .
C2 C3 H3 126.5 . .
C4 C3 H3 126.5 . .
Co1 C3 H3 127.4 . .
C3 C4 C5 109.9(6) . .
C3 C4 Co1 72.9(4) . .
C5 C4 Co1 69.8(4) . .
C3 C4 H4 125.0 . .
C5 C4 H4 125.0 . .
Co1 C4 H4 123.9 . .
C4 C5 C1 106.1(6) . .
C4 C5 C6 124.6(6) . .
C1 C5 C6 126.8(6) . .
C4 C5 Co1 69.9(4) . .
C1 C5 Co1 70.2(4) . .
C6 C5 Co1 110.7(4) . .
C5 C6 C7 111.9(6) . .
C5 C6 H6A 109.2 . .
C7 C6 H6A 109.2 . .
C5 C6 H6B 109.2 . .
C7 C6 H6B 109.2 . .
H6A C6 H6B 107.9 . .
C8 C7 C6 112.2(6) . .
C8 C7 H7A 109.2 . .
C6 C7 H7A 109.2 . .
C8 C7 H7B 109.2 . .
C6 C7 H7B 109.2 . .
H7A C7 H7B 107.9 . .
C12 C8 C9 106.1(6) . .
C12 C8 C7 127.1(6) . .
C9 C8 C7 124.1(6) . .
C12 C8 Co1 69.6(4) . .
C9 C8 Co1 70.0(4) . .
C7 C8 Co1 110.4(4) . .
C8 C9 C10 108.8(6) . .
C8 C9 Co1 69.7(4) . .
C10 C9 Co1 72.6(4) . .
C8 C9 H9 125.6 . .
C10 C9 H9 125.6 . .
Co1 C9 H9 123.8 . .
C11 C10 C9 107.8(6) . .
C11 C10 Co1 70.8(4) . .
C9 C10 Co1 67.7(4) . .
C11 C10 H10 126.1 . .
C9 C10 H10 126.1 . .
Co1 C10 H10 127.0 . .
C10 C11 C12 107.8(6) . .
C10 C11 Co1 70.9(4) . .
C12 C11 Co1 67.4(4) . .
C10 C11 H11 126.1 . .
C12 C11 H11 126.1 . .
Co1 C11 H11 127.2 . .
C8 C12 C11 109.5(6) . .
C8 C12 Co1 70.2(4) . .
C11 C12 Co1 73.0(4) . .
C8 C12 H12 125.3 . .
C11 C12 H12 125.3 . .
Co1 C12 H12 123.1 . .
C12 Co1 C5 101.5(3) . .
C12 Co1 C4 100.5(3) . .
C5 Co1 C4 40.3(3) . .
C12 Co1 C8 40.2(3) . .
C5 Co1 C8 85.5(3) . .
C4 Co1 C8 110.7(3) . .
C12 Co1 C9 66.8(3) . .
C5 Co1 C9 110.5(3) . .
C4 Co1 C9 147.5(3) . .
C8 Co1 C9 40.3(3) . .
C12 Co1 C1 135.0(3) . .
C5 Co1 C1 40.4(2) . .
C4 Co1 C1 66.8(3) . .
C8 Co1 C1 101.5(3) . .
C9 Co1 C1 100.1(3) . .
C12 Co1 C2 166.5(3) . .
C5 Co1 C2 67.4(3) . .
C4 Co1 C2 66.1(3) . .
C8 Co1 C2 140.8(3) . .
C9 Co1 C2 123.4(3) . .
C1 Co1 C2 39.7(3) . .
C12 Co1 C11 39.6(3) . .
C5 Co1 C11 140.7(3) . .
C4 Co1 C11 123.9(3) . .
C8 Co1 C11 67.0(3) . .
C9 Co1 C11 65.9(3) . .
C1 Co1 C11 166.0(3) . .
C2 Co1 C11 149.5(3) . .
C12 Co1 C3 130.8(3) . .
C5 Co1 C3 67.3(3) . .
C4 Co1 C3 39.5(3) . .
C8 Co1 C3 149.9(3) . .
C9 Co1 C3 162.3(3) . .
C1 Co1 C3 66.4(3) . .
C2 Co1 C3 38.9(3) . .
C11 Co1 C3 127.6(3) . .
C12 Co1 C10 65.9(3) . .
C5 Co1 C10 149.8(3) . .
C4 Co1 C10 162.1(3) . .
C8 Co1 C10 67.1(3) . .
C9 Co1 C10 39.8(3) . .
C1 Co1 C10 130.9(3) . .
C2 Co1 C10 127.6(3) . .
C11 Co1 C10 38.3(3) . .
C3 Co1 C10 142.0(3) . .
C17 C13 C14 108.9(6) . .
C17 C13 Co2 70.3(4) . .
C14 C13 Co2 71.7(4) . .
C17 C13 H13 125.6 . .
C14 C13 H13 125.6 . .
Co2 C13 H13 124.0 . .
C15 C14 C13 107.9(6) . .
C15 C14 Co2 71.5(4) . .
C13 C14 Co2 68.1(4) . .
C15 C14 H14 126.0 . .
C13 C14 H14 126.0 . .
Co2 C14 H14 126.0 . .
C14 C15 C16 107.7(6) . .
C14 C15 Co2 69.8(4) . .
C16 C15 Co2 68.0(4) . .
C14 C15 H15 126.1 . .
C16 C15 H15 126.1 . .
Co2 C15 H15 127.6 . .
C15 C16 C17 109.1(6) . .
C15 C16 Co2 72.4(4) . .
C17 C16 Co2 69.7(4) . .
C15 C16 H16 125.5 . .
C17 C16 H16 125.5 . .
Co2 C16 H16 124.0 . .
C13 C17 C16 106.4(6) . .
C13 C17 C18 126.9(6) . .
C16 C17 C18 124.2(6) . .
C13 C17 Co2 69.6(4) . .
C16 C17 Co2 69.9(4) . .
C18 C17 Co2 111.4(4) . .
C17 C18 C18 112.2(4) . 6
C17 C18 H18A 109.2 . .
C18 C18 H18A 109.2 6 .
C17 C18 H18B 109.2 . .
C18 C18 H18B 109.2 6 .
H18A C18 H18B 107.9 . .
C13 Co2 C13 135.2(4) . 6
C13 Co2 C17 40.1(3) . .
C13 Co2 C17 101.9(3) 6 .
C13 Co2 C17 101.9(3) . 6
C13 Co2 C17 40.1(3) 6 6
C17 Co2 C17 85.5(4) . 6
C13 Co2 C16 100.0(3) . 6
C13 Co2 C16 66.9(3) 6 6
C17 Co2 C16 110.0(3) . 6
C17 Co2 C16 40.4(3) 6 6
C13 Co2 C16 66.9(3) . .
C13 Co2 C16 100.0(3) 6 .
C17 Co2 C16 40.4(3) . .
C17 Co2 C16 110.0(3) 6 .
C16 Co2 C16 146.8(4) 6 .
C13 Co2 C14 166.2(3) . 6
C13 Co2 C14 40.2(3) 6 6
C17 Co2 C14 141.6(3) . 6
C17 Co2 C14 67.4(3) 6 6
C16 Co2 C14 66.2(3) 6 6
C16 Co2 C14 124.0(3) . 6
C13 Co2 C14 40.2(3) . .
C13 Co2 C14 166.2(3) 6 .
C17 Co2 C14 67.4(3) . .
C17 Co2 C14 141.6(3) 6 .
C16 Co2 C14 124.0(3) 6 .
C16 Co2 C14 66.2(3) . .
C14 Co2 C14 148.4(4) 6 .
C13 Co2 C15 66.4(3) . .
C13 Co2 C15 130.2(3) 6 .
C17 Co2 C15 67.1(3) . .
C17 Co2 C15 149.3(3) 6 .
C16 Co2 C15 162.7(3) 6 .
C16 Co2 C15 39.6(3) . .
C14 Co2 C15 127.3(3) 6 .
C14 Co2 C15 38.7(3) . .
C13 Co2 C15 130.2(3) . 6
C13 Co2 C15 66.4(3) 6 6
C17 Co2 C15 149.3(3) . 6
C17 Co2 C15 67.1(3) 6 6
C16 Co2 C15 39.6(3) 6 6
C16 Co2 C15 162.7(3) . 6
C14 Co2 C15 38.7(3) 6 6
C14 Co2 C15 127.3(3) . 6
C15 Co2 C15 142.5(4) . 6
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.433(10) .
C1 C5 1.437(9) .
C1 Co1 2.084(7) .
C1 H1 0.9500 .
C2 C3 1.424(9) .
C2 Co1 2.131(6) .
C2 H2 0.9500 .
C3 C4 1.428(10) .
C3 Co1 2.144(7) .
C3 H3 0.9500 .
C4 C5 1.429(9) .
C4 Co1 2.075(7) .
C4 H4 0.9500 .
C5 C6 1.512(9) .
C5 Co1 2.073(7) .
C6 C7 1.554(9) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C7 C8 1.514(9) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 C12 1.425(9) .
C8 C9 1.433(9) .
C8 Co1 2.076(7) .
C9 C10 1.438(10) .
C9 Co1 2.080(7) .
C9 H9 0.9500 .
C10 C11 1.407(10) .
C10 Co1 2.145(7) .
C10 H10 0.9500 .
C11 C12 1.428(10) .
C11 Co1 2.143(7) .
C11 H11 0.9500 .
C12 Co1 2.068(7) .
C12 H12 0.9500 .
C13 C17 1.419(9) .
C13 C14 1.436(10) .
C13 Co2 2.064(7) .
C13 H13 0.9500 .
C14 C15 1.407(10) .
C14 Co2 2.114(7) .
C14 H14 0.9500 .
C15 C16 1.426(10) .
C15 Co2 2.135(7) .
C15 H15 0.9500 .
C16 C17 1.432(9) .
C16 Co2 2.077(7) .
C16 H16 0.9500 .
C17 C18 1.505(9) .
C17 Co2 2.074(6) .
C18 C18 1.581(13) 6
C18 H18A 0.9900 .
C18 H18B 0.9900 .
Co2 C13 2.064(7) 6
Co2 C17 2.074(6) 6
Co2 C16 2.077(7) 6
Co2 C14 2.114(7) 6
Co2 C15 2.135(7) 6
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_4
C5 C1 C2 C3 -0.2(7) .
Co1 C1 C2 C3 -60.1(5) .
C5 C1 C2 Co1 59.9(4) .
C1 C2 C3 C4 0.8(7) .
Co1 C2 C3 C4 -57.7(4) .
C1 C2 C3 Co1 58.4(4) .
C2 C3 C4 C5 -1.1(7) .
Co1 C3 C4 C5 -60.2(5) .
C2 C3 C4 Co1 59.2(5) .
C3 C4 C5 C1 0.9(7) .
Co1 C4 C5 C1 -61.2(4) .
C3 C4 C5 C6 164.0(6) .
Co1 C4 C5 C6 101.8(6) .
C3 C4 C5 Co1 62.1(5) .
C2 C1 C5 C4 -0.4(7) .
Co1 C1 C5 C4 61.0(4) .
C2 C1 C5 C6 -163.0(6) .
Co1 C1 C5 C6 -101.5(6) .
C2 C1 C5 Co1 -61.5(5) .
C4 C5 C6 C7 -105.2(7) .
C1 C5 C6 C7 54.3(9) .
Co1 C5 C6 C7 -25.9(7) .
C5 C6 C7 C8 34.6(7) .
C6 C7 C8 C12 53.2(9) .
C6 C7 C8 C9 -105.1(7) .
C6 C7 C8 Co1 -26.0(6) .
C12 C8 C9 C10 1.8(7) .
C7 C8 C9 C10 164.0(6) .
Co1 C8 C9 C10 62.4(5) .
C12 C8 C9 Co1 -60.6(4) .
C7 C8 C9 Co1 101.6(6) .
C8 C9 C10 C11 -1.0(7) .
Co1 C9 C10 C11 59.6(5) .
C8 C9 C10 Co1 -60.6(4) .
C9 C10 C11 C12 -0.3(8) .
Co1 C10 C11 C12 57.4(5) .
C9 C10 C11 Co1 -57.7(4) .
C9 C8 C12 C11 -2.0(7) .
C7 C8 C12 C11 -163.5(6) .
Co1 C8 C12 C11 -62.8(5) .
C9 C8 C12 Co1 60.8(4) .
C7 C8 C12 Co1 -100.6(6) .
C10 C11 C12 C8 1.5(8) .
Co1 C11 C12 C8 61.1(5) .
C10 C11 C12 Co1 -59.6(5) .
C8 C12 Co1 C5 68.6(4) .
C11 C12 Co1 C5 -172.7(4) .
C8 C12 Co1 C4 109.6(4) .
C11 C12 Co1 C4 -131.7(4) .
C11 C12 Co1 C8 118.7(6) .
C8 C12 Co1 C9 -39.0(4) .
C11 C12 Co1 C9 79.7(4) .
C8 C12 Co1 C1 42.0(6) .
C11 C12 Co1 C1 160.7(4) .
C8 C12 Co1 C2 102.4(12) .
C11 C12 Co1 C2 -138.9(11) .
C8 C12 Co1 C11 -118.7(6) .
C8 C12 Co1 C3 138.5(4) .
C11 C12 Co1 C3 -102.8(5) .
C8 C12 Co1 C10 -82.5(4) .
C11 C12 Co1 C10 36.2(4) .
C4 C5 Co1 C12 92.7(4) .
C1 C5 Co1 C12 -150.8(4) .
C6 C5 Co1 C12 -27.8(5) .
C1 C5 Co1 C4 116.5(6) .
C6 C5 Co1 C4 -120.5(6) .
C4 C5 Co1 C8 129.8(4) .
C1 C5 Co1 C8 -113.7(4) .
C6 C5 Co1 C8 9.3(5) .
C4 C5 Co1 C9 162.1(4) .
C1 C5 Co1 C9 -81.4(4) .
C6 C5 Co1 C9 41.5(5) .
C4 C5 Co1 C1 -116.5(6) .
C6 C5 Co1 C1 122.9(6) .
C4 C5 Co1 C2 -79.2(4) .
C1 C5 Co1 C2 37.3(4) .
C6 C5 Co1 C2 160.3(5) .
C4 C5 Co1 C11 85.4(5) .
C1 C5 Co1 C11 -158.1(4) .
C6 C5 Co1 C11 -35.1(7) .
C4 C5 Co1 C3 -36.8(4) .
C1 C5 Co1 C3 79.7(4) .
C6 C5 Co1 C3 -157.4(5) .
C4 C5 Co1 C10 154.1(5) .
C1 C5 Co1 C10 -89.4(6) .
C6 C5 Co1 C10 33.5(8) .
C3 C4 Co1 C12 144.9(4) .
C5 C4 Co1 C12 -95.5(4) .
C3 C4 Co1 C5 -119.6(5) .
C3 C4 Co1 C8 -174.5(4) .
C5 C4 Co1 C8 -54.9(4) .
C3 C4 Co1 C9 -152.1(5) .
C5 C4 Co1 C9 -32.5(7) .
C3 C4 Co1 C1 -80.4(4) .
C5 C4 Co1 C1 39.1(4) .
C3 C4 Co1 C2 -36.9(4) .
C5 C4 Co1 C2 82.7(4) .
C3 C4 Co1 C11 109.9(4) .
C5 C4 Co1 C11 -130.5(4) .
C5 C4 Co1 C3 119.6(5) .
C3 C4 Co1 C10 106.1(9) .
C5 C4 Co1 C10 -134.3(8) .
C9 C8 Co1 C12 -116.7(6) .
C7 C8 Co1 C12 123.2(6) .
C12 C8 Co1 C5 -113.8(4) .
C9 C8 Co1 C5 129.4(4) .
C7 C8 Co1 C5 9.4(5) .
C12 C8 Co1 C4 -81.8(4) .
C9 C8 Co1 C4 161.5(4) .
C7 C8 Co1 C4 41.5(5) .
C12 C8 Co1 C9 116.7(6) .
C7 C8 Co1 C9 -120.0(6) .
C12 C8 Co1 C1 -151.1(4) .
C9 C8 Co1 C1 92.1(4) .
C7 C8 Co1 C1 -27.9(5) .
C12 C8 Co1 C2 -158.8(4) .
C9 C8 Co1 C2 84.4(5) .
C7 C8 Co1 C2 -35.6(7) .
C12 C8 Co1 C11 37.4(4) .
C9 C8 Co1 C11 -79.3(4) .
C7 C8 Co1 C11 160.6(5) .
C12 C8 Co1 C3 -88.7(6) .
C9 C8 Co1 C3 154.5(5) .
C7 C8 Co1 C3 34.5(8) .
C12 C8 Co1 C10 79.1(4) .
C9 C8 Co1 C10 -37.6(4) .
C7 C8 Co1 C10 -157.6(5) .
C8 C9 Co1 C12 38.9(4) .
C10 C9 Co1 C12 -79.6(4) .
C8 C9 Co1 C5 -55.3(4) .
C10 C9 Co1 C5 -173.7(4) .
C8 C9 Co1 C4 -33.5(7) .
C10 C9 Co1 C4 -152.0(5) .
C10 C9 Co1 C8 -118.5(5) .
C8 C9 Co1 C1 -95.9(4) .
C10 C9 Co1 C1 145.6(4) .
C8 C9 Co1 C2 -131.0(4) .
C10 C9 Co1 C2 110.5(4) .
C8 C9 Co1 C11 82.3(4) .
C10 C9 Co1 C11 -36.2(4) .
C8 C9 Co1 C3 -134.8(8) .
C10 C9 Co1 C3 106.8(9) .
C8 C9 Co1 C10 118.5(5) .
C2 C1 Co1 C12 161.4(4) .
C5 C1 Co1 C12 42.6(6) .
C2 C1 Co1 C5 118.9(6) .
C2 C1 Co1 C4 79.9(4) .
C5 C1 Co1 C4 -39.0(4) .
C2 C1 Co1 C8 -172.4(4) .
C5 C1 Co1 C8 68.7(4) .
C2 C1 Co1 C9 -131.3(4) .
C5 C1 Co1 C9 109.8(4) .
C5 C1 Co1 C2 -118.9(6) .
C2 C1 Co1 C11 -138.1(11) .
C5 C1 Co1 C11 103.0(11) .
C2 C1 Co1 C3 36.6(4) .
C5 C1 Co1 C3 -82.2(4) .
C2 C1 Co1 C10 -102.8(5) .
C5 C1 Co1 C10 138.3(4) .
C3 C2 Co1 C12 45.3(13) .
C1 C2 Co1 C12 -74.2(13) .
C3 C2 Co1 C5 81.5(4) .
C1 C2 Co1 C5 -38.0(4) .
C3 C2 Co1 C4 37.5(4) .
C1 C2 Co1 C4 -82.0(4) .
C3 C2 Co1 C8 131.3(5) .
C1 C2 Co1 C8 11.8(6) .
C3 C2 Co1 C9 -178.2(4) .
C1 C2 Co1 C9 62.3(5) .
C3 C2 Co1 C1 119.5(6) .
C3 C2 Co1 C11 -79.1(6) .
C1 C2 Co1 C11 161.4(5) .
C1 C2 Co1 C3 -119.5(6) .
C3 C2 Co1 C10 -129.1(4) .
C1 C2 Co1 C10 111.5(4) .
C10 C11 Co1 C12 119.7(6) .
C10 C11 Co1 C5 131.0(5) .
C12 C11 Co1 C5 11.3(6) .
C10 C11 Co1 C4 -178.1(4) .
C12 C11 Co1 C4 62.2(5) .
C10 C11 Co1 C8 81.7(4) .
C12 C11 Co1 C8 -38.0(4) .
C10 C11 Co1 C9 37.6(4) .
C12 C11 Co1 C9 -82.1(4) .
C10 C11 Co1 C1 44.9(13) .
C12 C11 Co1 C1 -74.8(12) .
C10 C11 Co1 C2 -77.9(7) .
C12 C11 Co1 C2 162.4(5) .
C10 C11 Co1 C3 -129.1(4) .
C12 C11 Co1 C3 111.2(5) .
C12 C11 Co1 C10 -119.7(6) .
C2 C3 Co1 C12 -167.3(4) .
C4 C3 Co1 C12 -48.2(5) .
C2 C3 Co1 C5 -81.5(4) .
C4 C3 Co1 C5 37.5(4) .
C2 C3 Co1 C4 -119.1(6) .
C2 C3 Co1 C8 -108.8(6) .
C4 C3 Co1 C8 10.3(7) .
C2 C3 Co1 C9 5.0(11) .
C4 C3 Co1 C9 124.0(9) .
C2 C3 Co1 C1 -37.4(4) .
C4 C3 Co1 C1 81.7(4) .
C4 C3 Co1 C2 119.1(6) .
C2 C3 Co1 C11 141.0(4) .
C4 C3 Co1 C11 -99.9(5) .
C2 C3 Co1 C10 89.6(5) .
C4 C3 Co1 C10 -151.4(4) .
C11 C10 Co1 C12 -37.4(4) .
C9 C10 Co1 C12 82.2(4) .
C11 C10 Co1 C5 -107.8(6) .
C9 C10 Co1 C5 11.7(7) .
C11 C10 Co1 C4 5.1(11) .
C9 C10 Co1 C4 124.6(9) .
C11 C10 Co1 C8 -81.4(4) .
C9 C10 Co1 C8 38.1(4) .
C11 C10 Co1 C9 -119.5(6) .
C11 C10 Co1 C1 -166.9(4) .
C9 C10 Co1 C1 -47.4(5) .
C11 C10 Co1 C2 141.2(4) .
C9 C10 Co1 C2 -99.3(4) .
C9 C10 Co1 C11 119.5(6) .
C11 C10 Co1 C3 88.7(6) .
C9 C10 Co1 C3 -151.8(4) .
C17 C13 C14 C15 -0.1(8) .
Co2 C13 C14 C15 60.7(5) .
C17 C13 C14 Co2 -60.8(5) .
C13 C14 C15 C16 -1.0(8) .
Co2 C14 C15 C16 57.6(5) .
C13 C14 C15 Co2 -58.5(5) .
C14 C15 C16 C17 1.7(8) .
Co2 C15 C16 C17 60.4(5) .
C14 C15 C16 Co2 -58.7(5) .
C14 C13 C17 C16 1.1(7) .
Co2 C13 C17 C16 -60.6(4) .
C14 C13 C17 C18 163.6(6) .
Co2 C13 C17 C18 101.9(6) .
C14 C13 C17 Co2 61.7(5) .
C15 C16 C17 C13 -1.7(7) .
Co2 C16 C17 C13 60.4(4) .
C15 C16 C17 C18 -164.8(6) .
Co2 C16 C17 C18 -102.7(6) .
C15 C16 C17 Co2 -62.1(5) .
C13 C17 C18 C18 -56.7(10) 6
C16 C17 C18 C18 102.8(9) 6
Co2 C17 C18 C18 23.2(9) 6
C17 C13 Co2 C13 -42.0(3) 6
C14 C13 Co2 C13 -160.7(4) 6
C14 C13 Co2 C17 -118.7(6) .
C17 C13 Co2 C17 -68.1(5) 6
C14 C13 Co2 C17 173.2(4) 6
C17 C13 Co2 C16 -109.3(4) 6
C14 C13 Co2 C16 132.1(4) 6
C17 C13 Co2 C16 38.8(4) .
C14 C13 Co2 C16 -79.9(4) .
C17 C13 Co2 C14 -105.7(12) 6
C14 C13 Co2 C14 135.7(11) 6
C17 C13 Co2 C14 118.7(6) .
C17 C13 Co2 C15 82.0(4) .
C14 C13 Co2 C15 -36.6(4) .
C17 C13 Co2 C15 -138.1(4) 6
C14 C13 Co2 C15 103.2(5) 6
C16 C17 Co2 C13 117.2(6) .
C18 C17 Co2 C13 -122.9(7) .
C13 C17 Co2 C13 151.2(4) 6
C16 C17 Co2 C13 -91.6(4) 6
C18 C17 Co2 C13 28.3(5) 6
C13 C17 Co2 C17 114.3(5) 6
C16 C17 Co2 C17 -128.5(5) 6
C18 C17 Co2 C17 -8.5(3) 6
C13 C17 Co2 C16 81.7(4) 6
C16 C17 Co2 C16 -161.1(3) 6
C18 C17 Co2 C16 -41.2(5) 6
C13 C17 Co2 C16 -117.2(6) .
C18 C17 Co2 C16 119.9(6) .
C13 C17 Co2 C14 158.3(5) 6
C16 C17 Co2 C14 -84.5(5) 6
C18 C17 Co2 C14 35.4(7) 6
C13 C17 Co2 C14 -37.8(4) .
C16 C17 Co2 C14 79.4(4) .
C18 C17 Co2 C14 -160.7(6) .
C13 C17 Co2 C15 -79.9(4) .
C16 C17 Co2 C15 37.3(4) .
C18 C17 Co2 C15 157.2(6) .
C13 C17 Co2 C15 87.9(6) 6
C16 C17 Co2 C15 -154.9(5) 6
C18 C17 Co2 C15 -35.0(8) 6
C15 C16 Co2 C13 80.3(4) .
C17 C16 Co2 C13 -38.5(4) .
C15 C16 Co2 C13 -144.6(4) 6
C17 C16 Co2 C13 96.5(4) 6
C15 C16 Co2 C17 118.8(6) .
C15 C16 Co2 C17 175.0(4) 6
C17 C16 Co2 C17 56.2(5) 6
C15 C16 Co2 C16 152.5(4) 6
C17 C16 Co2 C16 33.7(7) 6
C15 C16 Co2 C14 -109.3(4) 6
C17 C16 Co2 C14 131.8(4) 6
C15 C16 Co2 C14 36.3(4) .
C17 C16 Co2 C14 -82.5(4) .
C17 C16 Co2 C15 -118.8(6) .
C15 C16 Co2 C15 -107.7(11) 6
C17 C16 Co2 C15 133.5(9) 6
C15 C14 Co2 C13 -119.0(6) .
C15 C14 Co2 C13 -41.0(14) 6
C13 C14 Co2 C13 78.0(14) 6
C15 C14 Co2 C17 -81.2(4) .
C13 C14 Co2 C17 37.8(4) .
C15 C14 Co2 C17 -129.7(5) 6
C13 C14 Co2 C17 -10.8(6) 6
C15 C14 Co2 C16 179.2(4) 6
C13 C14 Co2 C16 -61.8(5) 6
C15 C14 Co2 C16 -37.1(4) .
C13 C14 Co2 C16 81.9(4) .
C15 C14 Co2 C14 79.6(4) 6
C13 C14 Co2 C14 -161.5(4) 6
C13 C14 Co2 C15 119.0(6) .
C15 C14 Co2 C15 130.2(6) 6
C13 C14 Co2 C15 -110.9(4) 6
C14 C15 Co2 C13 38.1(4) .
C16 C15 Co2 C13 -81.9(4) .
C14 C15 Co2 C13 168.2(4) 6
C16 C15 Co2 C13 48.3(5) 6
C14 C15 Co2 C17 81.9(5) .
C16 C15 Co2 C17 -38.0(4) .
C14 C15 Co2 C17 110.7(6) 6
C16 C15 Co2 C17 -9.2(7) 6
C14 C15 Co2 C16 -2.2(12) 6
C16 C15 Co2 C16 -122.1(10) 6
C14 C15 Co2 C16 119.9(6) .
C14 C15 Co2 C14 -139.7(6) 6
C16 C15 Co2 C14 100.4(5) 6
C16 C15 Co2 C14 -119.9(6) .
C14 C15 Co2 C15 -87.9(4) 6
C16 C15 Co2 C15 152.2(4) 6
