#------------------------------------------------------------------------------
#$Date: 2016-03-22 21:12:29 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179015 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/13/4121305.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_4121305
loop_
_publ_author_name
'Daniel J. Harrison'
'Graham M. Lee'
'Matthew C. Leclerc'
'Ilia Korobkov'
'R. Tom Baker'
_publ_section_title
;
 Cobalt Fluorocarbenes: Cycloaddition Reactions with Tetrafluoroethylene
 and Reactivity of the Perfluorometallacyclic Products
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              18296
_journal_page_last               18299
_journal_paper_doi               10.1021/ja411503c
_journal_volume                  135
_journal_year                    2013
_chemical_formula_sum            'C21 H18 Co F6 P'
_chemical_formula_weight         474.25
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.1591(5)
_cell_length_b                   11.2991(5)
_cell_length_c                   16.6717(7)
_cell_measurement_reflns_used    9983
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27.44
_cell_measurement_theta_min      2.18
_cell_volume                     1913.72(15)
_computing_cell_refinement       'APEX II, Bruker (2009)'
_computing_data_collection       'APEX II, Bruker (2009)'
_computing_data_reduction        'XPREP, Bruker (2009)'
_computing_molecular_graphics    'SHELXTL, Bruker (2004)'
_computing_publication_material  'SHELXTL, Bruker (2004)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and 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  0.0526
_diffrn_reflns_av_sigmaI/netI    0.0409
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            26264
_diffrn_reflns_theta_full        28.39
_diffrn_reflns_theta_max         28.39
_diffrn_reflns_theta_min         2.18
_exptl_absorpt_coefficient_mu    1.041
_exptl_absorpt_correction_T_max  0.9307
_exptl_absorpt_correction_T_min  0.7735
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker (2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.646
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
_exptl_crystal_F_000             960
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.511
_refine_diff_density_min         -0.535
_refine_diff_density_rms         0.111
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.55(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     281
_refine_ls_number_reflns         4687
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0633
_refine_ls_R_factor_gt           0.0532
_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)+(0.0827P)²+1.0406P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1266
_refine_ls_wR_factor_ref         0.1324
_reflns_number_gt                4111
_reflns_number_total             4687
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja411503c_si_004.cif
_cod_data_source_block           tb071
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'n/a' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               4121305
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
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 0.73230(5) 0.70738(4) 0.13800(3) 0.02605(14) Uani 1 1 d . . .
P1 P 0.83087(9) 0.64466(7) 0.24815(5) 0.02291(19) Uani 1 1 d . . .
F1 F 0.8980(3) 0.5092(3) 0.0960(2) 0.0627(9) Uani 1 1 d . . .
F2 F 0.8493(4) 0.6168(3) -0.00581(19) 0.0763(12) Uani 1 1 d . . .
F3 F 0.6993(11) 0.4019(7) 0.0940(7) 0.077(3) Uani 0.50 1 d P A 1
F4 F 0.6168(16) 0.5059(16) -0.0044(7) 0.091(7) Uani 0.50 1 d P A 1
F3' F 0.6741(8) 0.4035(8) 0.0497(5) 0.053(2) Uani 0.50 1 d P A 2
F4' F 0.6233(15) 0.5618(13) -0.0147(8) 0.061(3) Uani 0.50 1 d P A 2
F5 F 0.5730(4) 0.5087(3) 0.18820(17) 0.0691(11) Uani 1 1 d . . .
F6 F 0.4780(3) 0.6154(3) 0.09862(19) 0.0552(8) Uani 1 1 d . . .
C1 C 0.8054(5) 0.8530(4) 0.0750(3) 0.0486(12) Uani 1 1 d . . .
H1A H 0.8840 0.8525 0.0388 0.058 Uiso 1 1 calc R . .
C2 C 0.6742(5) 0.8272(4) 0.0515(3) 0.0460(11) Uani 1 1 d . . .
H2A H 0.6429 0.8084 -0.0039 0.055 Uiso 1 1 calc R . .
C3 C 0.5935(5) 0.8444(4) 0.1214(3) 0.0423(10) Uani 1 1 d . . .
H3A H 0.4957 0.8352 0.1236 0.051 Uiso 1 1 calc R . .
C4 C 0.6743(5) 0.8750(4) 0.1857(3) 0.0424(10) Uani 1 1 d . . .
H4A H 0.6443 0.8902 0.2419 0.051 Uiso 1 1 calc R . .
C5 C 0.8069(5) 0.8798(4) 0.1580(3) 0.0457(12) Uani 1 1 d . . .
H5A H 0.8860 0.9008 0.1908 0.055 Uiso 1 1 calc R . .
C6 C 0.8046(4) 0.5850(4) 0.0681(2) 0.0347(9) Uani 1 1 d . A .
C7 C 0.6753(5) 0.5188(4) 0.0615(3) 0.0411(10) Uani 1 1 d . . .
C8 C 0.5988(4) 0.5847(4) 0.1264(2) 0.0323(8) Uani 1 1 d . A .
C9 C 1.0073(4) 0.6689(3) 0.2498(2) 0.0254(7) Uani 1 1 d . . .
C10 C 1.0787(4) 0.6618(4) 0.3212(2) 0.0371(9) Uani 1 1 d . . .
H10A H 1.0330 0.6469 0.3699 0.045 Uiso 1 1 calc R . .
C11 C 1.2122(5) 0.6755(4) 0.3231(3) 0.0432(10) Uani 1 1 d . . .
H11A H 1.2573 0.6751 0.3730 0.052 Uiso 1 1 calc R . .
C12 C 1.2815(4) 0.6898(4) 0.2529(3) 0.0379(8) Uani 1 1 d . . .
H12A H 1.3750 0.6926 0.2538 0.046 Uiso 1 1 calc R . .
C13 C 1.2143(4) 0.7001(4) 0.1807(3) 0.0408(9) Uani 1 1 d . . .
H13A H 1.2613 0.7140 0.1324 0.049 Uiso 1 1 calc R . .
C14 C 1.0785(4) 0.6899(4) 0.1794(2) 0.0341(8) Uani 1 1 d . . .
H14A H 1.0330 0.6973 0.1299 0.041 Uiso 1 1 calc R . .
C15 C 0.7660(4) 0.7207(3) 0.3390(3) 0.0387(10) Uani 1 1 d . . .
C16 C 0.6554(6) 0.6884(4) 0.3706(3) 0.0486(11) Uani 1 1 d . . .
H16A H 0.6128 0.6188 0.3519 0.058 Uiso 1 1 calc R . .
C17 C 0.5970(6) 0.7558(6) 0.4330(3) 0.0593(15) Uani 1 1 d . . .
H17A H 0.5160 0.7316 0.4564 0.071 Uiso 1 1 calc R . .
C18 C 0.6602(6) 0.8576(5) 0.4594(3) 0.0527(13) Uani 1 1 d . . .
H18A H 0.6225 0.9037 0.5012 0.063 Uiso 1 1 calc R . .
C19 C 0.7743(7) 0.8907(4) 0.4259(3) 0.0533(13) Uani 1 1 d . . .
H19A H 0.8170 0.9601 0.4448 0.064 Uiso 1 1 calc R . .
C20 C 0.8316(5) 0.8261(4) 0.3641(3) 0.0412(9) Uani 1 1 d . . .
H20A H 0.9113 0.8511 0.3396 0.049 Uiso 1 1 calc R . .
C21 C 0.8211(5) 0.4901(4) 0.2785(3) 0.0415(10) Uani 1 1 d . . .
H21A H 0.8705 0.4787 0.3284 0.062 Uiso 1 1 calc R . .
H21B H 0.8587 0.4400 0.2363 0.062 Uiso 1 1 calc R . .
H21C H 0.7288 0.4683 0.2870 0.062 Uiso 1 1 calc R . .
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'
F F 0.0171 0.0103 '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'
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
C6 Co1 C8 72.48(17)
C6 Co1 C2 98.9(2)
C8 Co1 C2 101.4(2)
C6 Co1 C1 97.11(19)
C8 Co1 C1 139.3(2)
C2 Co1 C1 40.0(2)
C6 Co1 C5 127.7(2)
C8 Co1 C5 156.82(19)
C2 Co1 C5 67.0(2)
C1 Co1 C5 39.4(2)
C6 Co1 C3 133.77(19)
C8 Co1 C3 92.50(18)
C2 Co1 C3 40.23(19)
C1 Co1 C3 66.1(2)
C5 Co1 C3 65.49(19)
C6 Co1 C4 162.51(19)
C8 Co1 C4 118.36(19)
C2 Co1 C4 66.4(2)
C1 Co1 C4 65.6(2)
C5 Co1 C4 39.1(2)
C3 Co1 C4 38.30(18)
C6 Co1 P1 95.68(13)
C8 Co1 P1 99.76(13)
C2 Co1 P1 157.07(16)
C1 Co1 P1 120.65(16)
C5 Co1 P1 90.11(13)
C3 Co1 P1 130.32(13)
C4 Co1 P1 95.74(13)
C9 P1 C21 101.2(2)
C9 P1 C15 105.53(18)
C21 P1 C15 101.4(2)
C9 P1 Co1 114.37(13)
C21 P1 Co1 120.92(16)
C15 P1 Co1 111.58(13)
C2 C1 C5 108.8(4)
C2 C1 Co1 69.1(3)
C5 C1 Co1 71.4(3)
C1 C2 C3 106.6(4)
C1 C2 Co1 71.0(3)
C3 C2 Co1 71.7(2)
C4 C3 C2 108.7(4)
C4 C3 Co1 71.8(2)
C2 C3 Co1 68.1(2)
C3 C4 C5 108.5(4)
C3 C4 Co1 69.9(3)
C5 C4 Co1 69.7(2)
C4 C5 C1 107.4(4)
C4 C5 Co1 71.2(3)
C1 C5 Co1 69.3(3)
F2 C6 F1 104.0(4)
F2 C6 C7 110.7(4)
F1 C6 C7 108.6(4)
F2 C6 Co1 118.7(3)
F1 C6 Co1 120.3(3)
C7 C6 Co1 93.9(3)
F4 C7 F3' 75.5(9)
F4 C7 F3 107.5(10)
F3' C7 F3 32.5(4)
F4 C7 F4' 26.8(10)
F3' C7 F4' 101.3(7)
F3 C7 F4' 133.7(8)
F4 C7 C8 115.8(9)
F3' C7 C8 125.7(6)
F3 C7 C8 105.4(5)
F4' C7 C8 105.7(7)
F4 C7 C6 122.0(8)
F3' C7 C6 120.5(5)
F3 C7 C6 106.1(6)
F4' C7 C6 102.2(6)
C8 C7 C6 98.5(3)
F6 C8 F5 104.2(3)
F6 C8 C7 110.0(3)
F5 C8 C7 109.0(4)
F6 C8 Co1 118.8(3)
F5 C8 Co1 120.4(3)
C7 C8 Co1 93.6(3)
C10 C9 C14 117.2(4)
C10 C9 P1 121.2(3)
C14 C9 P1 121.6(3)
C11 C10 C9 121.9(4)
C10 C11 C12 120.2(4)
C11 C12 C13 119.7(4)
C14 C13 C12 119.8(4)
C13 C14 C9 121.1(4)
C16 C15 C20 121.4(4)
C16 C15 P1 120.6(3)
C20 C15 P1 117.3(4)
C15 C16 C17 120.7(5)
C18 C17 C16 118.9(5)
C19 C18 C17 119.9(5)
C18 C19 C20 121.6(5)
C19 C20 C15 117.4(5)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Co1 C6 1.952(4)
Co1 C8 1.949(4)
Co1 C2 2.064(4)
Co1 C1 2.089(4)
Co1 C5 2.117(4)
Co1 C3 2.112(4)
Co1 C4 2.137(4)
Co1 P1 2.2085(10)
P1 C9 1.814(4)
P1 C21 1.821(4)
P1 C15 1.861(4)
F1 C6 1.361(6)
F2 C6 1.361(5)
F3 C7 1.448(11)
F4 C7 1.257(13)
F3' C7 1.317(10)
F4' C7 1.459(15)
F5 C8 1.367(5)
F6 C8 1.357(5)
C1 C2 1.420(8)
C1 C5 1.417(8)
C2 C3 1.437(7)
C3 C4 1.394(7)
C4 C5 1.425(8)
C6 C7 1.516(6)
C7 C8 1.527(6)
C9 C10 1.396(5)
C9 C14 1.399(5)
C10 C11 1.366(7)
C11 C12 1.375(7)
C12 C13 1.389(6)
C13 C14 1.384(6)
C15 C16 1.294(7)
C15 C20 1.428(6)
C16 C17 1.419(7)
C17 C18 1.389(9)
C18 C19 1.340(9)
C19 C20 1.391(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
C6 Co1 P1 C9 70.91(17)
C8 Co1 P1 C9 144.05(17)
C2 Co1 P1 C9 -58.5(4)
C1 Co1 P1 C9 -30.8(2)
C5 Co1 P1 C9 -57.02(19)
C3 Co1 P1 C9 -114.2(2)
C4 Co1 P1 C9 -95.83(19)
C6 Co1 P1 C21 -50.4(2)
C8 Co1 P1 C21 22.7(2)
C2 Co1 P1 C21 -179.9(4)
C1 Co1 P1 C21 -152.2(3)
C5 Co1 P1 C21 -178.4(2)
C3 Co1 P1 C21 124.5(3)
C4 Co1 P1 C21 142.8(2)
C6 Co1 P1 C15 -169.4(2)
C8 Co1 P1 C15 -96.3(2)
C2 Co1 P1 C15 61.2(4)
C1 Co1 P1 C15 88.9(2)
C5 Co1 P1 C15 62.7(2)
C3 Co1 P1 C15 5.5(2)
C4 Co1 P1 C15 23.9(2)
C6 Co1 C1 C2 95.4(3)
C8 Co1 C1 C2 24.1(5)
C5 Co1 C1 C2 -119.6(4)
C3 Co1 C1 C2 -39.6(3)
C4 Co1 C1 C2 -81.7(3)
P1 Co1 C1 C2 -163.6(3)
C6 Co1 C1 C5 -145.0(3)
C8 Co1 C1 C5 143.7(3)
C2 Co1 C1 C5 119.6(4)
C3 Co1 C1 C5 80.0(3)
C4 Co1 C1 C5 37.8(3)
P1 Co1 C1 C5 -44.1(3)
C5 C1 C2 C3 2.7(5)
Co1 C1 C2 C3 63.3(3)
C5 C1 C2 Co1 -60.5(3)
C6 Co1 C2 C1 -90.4(3)
C8 Co1 C2 C1 -164.2(3)
C5 Co1 C2 C1 36.8(3)
C3 Co1 C2 C1 115.6(4)
C4 Co1 C2 C1 79.6(3)
P1 Co1 C2 C1 38.5(6)
C6 Co1 C2 C3 154.0(3)
C8 Co1 C2 C3 80.2(3)
C1 Co1 C2 C3 -115.6(4)
C5 Co1 C2 C3 -78.7(3)
C4 Co1 C2 C3 -35.9(3)
P1 Co1 C2 C3 -77.1(5)
C1 C2 C3 C4 -2.2(5)
Co1 C2 C3 C4 60.6(3)
C1 C2 C3 Co1 -62.8(3)
C6 Co1 C3 C4 -156.7(3)
C8 Co1 C3 C4 135.4(3)
C2 Co1 C3 C4 -119.8(4)
C1 Co1 C3 C4 -80.4(3)
C5 Co1 C3 C4 -37.1(3)
P1 Co1 C3 C4 30.4(4)
C6 Co1 C3 C2 -36.9(4)
C8 Co1 C3 C2 -104.8(3)
C1 Co1 C3 C2 39.4(3)
C5 Co1 C3 C2 82.7(3)
C4 Co1 C3 C2 119.8(4)
P1 Co1 C3 C2 150.1(3)
C2 C3 C4 C5 0.9(5)
Co1 C3 C4 C5 59.2(3)
C2 C3 C4 Co1 -58.3(3)
C6 Co1 C4 C3 72.2(7)
C8 Co1 C4 C3 -52.9(3)
C2 Co1 C4 C3 37.7(3)
C1 Co1 C4 C3 81.7(3)
C5 Co1 C4 C3 119.7(4)
P1 Co1 C4 C3 -157.2(3)
C6 Co1 C4 C5 -47.5(7)
C8 Co1 C4 C5 -172.6(3)
C2 Co1 C4 C5 -82.0(3)
C1 Co1 C4 C5 -38.0(3)
C3 Co1 C4 C5 -119.7(4)
P1 Co1 C4 C5 83.1(3)
C3 C4 C5 C1 0.8(5)
Co1 C4 C5 C1 60.1(3)
C3 C4 C5 Co1 -59.3(3)
C2 C1 C5 C4 -2.2(5)
Co1 C1 C5 C4 -61.4(3)
C2 C1 C5 Co1 59.1(3)
C6 Co1 C5 C4 163.8(3)
C8 Co1 C5 C4 16.8(6)
C2 Co1 C5 C4 80.4(3)
C1 Co1 C5 C4 117.8(4)
C3 Co1 C5 C4 36.3(3)
P1 Co1 C5 C4 -99.0(3)
C6 Co1 C5 C1 46.0(4)
C8 Co1 C5 C1 -101.0(5)
C2 Co1 C5 C1 -37.4(3)
C3 Co1 C5 C1 -81.5(3)
C4 Co1 C5 C1 -117.8(4)
P1 Co1 C5 C1 143.2(3)
C8 Co1 C6 F2 124.6(4)
C2 Co1 C6 F2 25.3(4)
C1 Co1 C6 F2 -15.0(4)
C5 Co1 C6 F2 -42.4(4)
C3 Co1 C6 F2 48.4(5)
C4 Co1 C6 F2 -6.4(9)
P1 Co1 C6 F2 -136.9(3)
C8 Co1 C6 F1 -105.7(4)
C2 Co1 C6 F1 155.0(4)
C1 Co1 C6 F1 114.6(4)
C5 Co1 C6 F1 87.3(4)
C3 Co1 C6 F1 178.1(3)
C4 Co1 C6 F1 123.3(6)
P1 Co1 C6 F1 -7.3(3)
C8 Co1 C6 C7 8.4(3)
C2 Co1 C6 C7 -90.9(3)
C1 Co1 C6 C7 -131.2(3)
C5 Co1 C6 C7 -158.6(3)
C3 Co1 C6 C7 -67.8(4)
C4 Co1 C6 C7 -122.6(6)
P1 Co1 C6 C7 106.8(3)
F2 C6 C7 F4 -5.2(12)
F1 C6 C7 F4 -118.8(11)
Co1 C6 C7 F4 117.5(11)
F2 C6 C7 F3' 86.3(7)
F1 C6 C7 F3' -27.3(7)
Co1 C6 C7 F3' -151.0(6)
F2 C6 C7 F3 118.2(6)
F1 C6 C7 F3 4.6(6)
Co1 C6 C7 F3 -119.1(5)
F2 C6 C7 F4' -24.8(8)
F1 C6 C7 F4' -138.4(7)
Co1 C6 C7 F4' 97.9(7)
F2 C6 C7 C8 -133.0(4)
F1 C6 C7 C8 113.4(4)
Co1 C6 C7 C8 -10.3(3)
F4 C7 C8 F6 0.9(10)
F3' C7 C8 F6 -89.5(7)
F3 C7 C8 F6 -117.8(6)
F4' C7 C8 F6 27.4(7)
C6 C7 C8 F6 132.8(4)
F4 C7 C8 F5 114.5(9)
F3' C7 C8 F5 24.2(8)
F3 C7 C8 F5 -4.2(7)
F4' C7 C8 F5 141.1(6)
C6 C7 C8 F5 -113.6(4)
F4 C7 C8 Co1 -121.6(9)
F3' C7 C8 Co1 148.1(6)
F3 C7 C8 Co1 119.8(6)
F4' C7 C8 Co1 -95.0(6)
C6 C7 C8 Co1 10.3(3)
C6 Co1 C8 F6 -123.6(3)
C2 Co1 C8 F6 -27.7(3)
C1 Co1 C8 F6 -43.2(5)
C5 Co1 C8 F6 29.5(6)
C3 Co1 C8 F6 11.9(3)
C4 Co1 C8 F6 41.5(4)
P1 Co1 C8 F6 143.5(3)
C6 Co1 C8 F5 106.2(4)
C2 Co1 C8 F5 -158.0(4)
C1 Co1 C8 F5 -173.5(4)
C5 Co1 C8 F5 -100.8(6)
C3 Co1 C8 F5 -118.4(4)
C4 Co1 C8 F5 -88.8(4)
P1 Co1 C8 F5 13.3(4)
C6 Co1 C8 C7 -8.3(3)
C2 Co1 C8 C7 87.5(3)
C1 Co1 C8 C7 72.0(4)
C5 Co1 C8 C7 144.8(4)
C3 Co1 C8 C7 127.1(3)
C4 Co1 C8 C7 156.8(3)
P1 Co1 C8 C7 -101.2(3)
C21 P1 C9 C10 -64.3(4)
C15 P1 C9 C10 41.0(4)
Co1 P1 C9 C10 164.1(3)
C21 P1 C9 C14 112.7(3)
C15 P1 C9 C14 -142.0(3)
Co1 P1 C9 C14 -19.0(3)
C14 C9 C10 C11 0.5(6)
P1 C9 C10 C11 177.6(4)
C9 C10 C11 C12 -4.0(7)
C10 C11 C12 C13 5.3(7)
C11 C12 C13 C14 -3.2(7)
C12 C13 C14 C9 -0.3(7)
C10 C9 C14 C13 1.6(6)
P1 C9 C14 C13 -175.4(3)
C9 P1 C15 C16 -156.1(4)
C21 P1 C15 C16 -50.9(4)
Co1 P1 C15 C16 79.1(4)
C9 P1 C15 C20 33.4(4)
C21 P1 C15 C20 138.6(3)
Co1 P1 C15 C20 -91.3(3)
C20 C15 C16 C17 -1.5(7)
P1 C15 C16 C17 -171.5(4)
C15 C16 C17 C18 0.3(8)
C16 C17 C18 C19 0.1(8)
C17 C18 C19 C20 0.6(8)
C18 C19 C20 C15 -1.7(7)
C16 C15 C20 C19 2.1(7)
P1 C15 C20 C19 172.5(4)
