#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/59/4085975.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_4085975
loop_
_publ_author_name
'Ylijoki, Kai E. O.'
'Kirk, Andrew D.'
'Böcklein, Sebastian'
'Witherell, Ross D.'
'Stryker, Jeffrey M.'
_publ_section_title
;
 Cobalt-Mediated η5-Pentadienyl/Alkyne [5 + 2] Cycloaddition Reactions:
 Substitution Effects, Bicyclic Synthesis, and Photochemical
 η4-Cycloheptadiene Demetalation
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              3335
_journal_paper_doi               10.1021/acs.organomet.5b00346
_journal_volume                  34
_journal_year                    2015
_chemical_formula_moiety         'C19 H28 Co, B F4'
_chemical_formula_sum            'C19 H28 B Co F4'
_chemical_formula_weight         402.15
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 99.8617(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.5841(8)
_cell_length_b                   17.6785(17)
_cell_length_c                   12.6769(12)
_cell_measurement_reflns_used    6938
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      27.45
_cell_measurement_theta_min      2.30
_cell_volume                     1895.3(3)
_computing_cell_refinement       'Bruker SAINT (Bruker, 1997)'
_computing_data_collection       'Bruker SMART (Bruker, 1997)'
_computing_data_reduction        'Bruker SAINT (Bruker, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL (Bruker, 1997)'
_computing_publication_material  'Bruker SHELXTL (Bruker, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF-96 (Beurskens et al., 1996)'
_diffrn_ambient_temperature      193(2)
_diffrn_detector_area_resol_mean 8.192
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type
'Bruker PLATFORM diffractometer/SMART 1000 CCD area detector'
_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  0.0198
_diffrn_reflns_av_sigmaI/netI    0.0224
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11459
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.00
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.941
_exptl_absorpt_correction_T_max  0.7163
_exptl_absorpt_correction_T_min  0.6354
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            dark_red
_exptl_crystal_density_diffrn    1.409
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             840
_exptl_crystal_size_max          0.53
_exptl_crystal_size_mid          0.49
_exptl_crystal_size_min          0.38
_refine_diff_density_max         0.643
_refine_diff_density_min         -0.305
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         4315
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0495
_refine_ls_R_factor_gt           0.0409
_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)+(0.0668P)²+0.7740P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1050
_refine_ls_wR_factor_ref         0.1122
_reflns_number_gt                3650
_reflns_number_total             4315
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            om5b00346_si_002.cif
_cod_data_source_block           2e
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 4085970--4085979.cif.
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4085975
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
Co Co 0.22612(3) 0.364688(15) 0.19821(2) 0.02920(11) Uani 1 1 d . . .
C1 C 0.2692(3) 0.24740(13) 0.19125(19) 0.0407(5) Uani 1 1 d . . .
H1 H 0.1864 0.2164 0.1455 0.049 Uiso 1 1 calc R . .
C2 C 0.2358(3) 0.27096(13) 0.29054(19) 0.0420(5) Uani 1 1 d . . .
H2 H 0.1353 0.2529 0.3119 0.050 Uiso 1 1 calc R . .
C3 C 0.3222(3) 0.32756(14) 0.35373(17) 0.0408(5) Uani 1 1 d . . .
H3 H 0.2738 0.3486 0.4139 0.049 Uiso 1 1 calc R . .
C4 C 0.4917(3) 0.35024(14) 0.35015(18) 0.0404(5) Uani 1 1 d . . .
H4 H 0.5621 0.3048 0.3569 0.048 Uiso 1 1 calc R . .
C5 C 0.4730(2) 0.38309(13) 0.23824(17) 0.0344(4) Uani 1 1 d . . .
H5 H 0.5132 0.4355 0.2302 0.041 Uiso 1 1 calc R . .
C6 C 0.4432(2) 0.33829(13) 0.14822(17) 0.0348(4) Uani 1 1 d . . .
H6 H 0.4632 0.3603 0.0791 0.042 Uiso 1 1 calc R . .
C7 C 0.4284(3) 0.25309(13) 0.15543(18) 0.0394(5) Uani 1 1 d . . .
H7 H 0.5138 0.2322 0.2115 0.047 Uiso 1 1 calc R . .
C8 C 0.5521(3) 0.40827(17) 0.4358(2) 0.0560(7) Uani 1 1 d . . .
H8A H 0.6616 0.4215 0.4313 0.067 Uiso 1 1 calc R . .
H8B H 0.5475 0.3870 0.5066 0.067 Uiso 1 1 calc R . .
H8C H 0.4860 0.4537 0.4247 0.067 Uiso 1 1 calc R . .
C9 C 0.4296(3) 0.21432(15) 0.0483(2) 0.0513(6) Uani 1 1 d . . .
H9A H 0.4179 0.1596 0.0565 0.062 Uiso 1 1 calc R . .
H9B H 0.5298 0.2249 0.0240 0.062 Uiso 1 1 calc R . .
H9C H 0.3417 0.2335 -0.0046 0.062 Uiso 1 1 calc R . .
C10 C 0.1723(2) 0.46032(12) 0.10669(18) 0.0362(4) Uani 1 1 d . . .
C11 C 0.0847(2) 0.39788(13) 0.05646(17) 0.0380(5) Uani 1 1 d . . .
C12 C -0.0104(3) 0.37018(13) 0.1276(2) 0.0443(6) Uani 1 1 d . . .
C13 C 0.0172(3) 0.41454(15) 0.2220(2) 0.0486(6) Uani 1 1 d . . .
C14 C 0.1312(3) 0.47121(13) 0.21036(18) 0.0423(5) Uani 1 1 d . . .
C15 C 0.2835(3) 0.50828(17) 0.0566(3) 0.0639(8) Uani 1 1 d . . .
H15A H 0.2234 0.5468 0.0111 0.077 Uiso 1 1 calc R . .
H15B H 0.3410 0.4764 0.0130 0.077 Uiso 1 1 calc R . .
H15C H 0.3589 0.5330 0.1128 0.077 Uiso 1 1 calc R . .
C16 C 0.0867(4) 0.37079(19) -0.0557(2) 0.0685(9) Uani 1 1 d . . .
H16A H 0.1960 0.3694 -0.0687 0.082 Uiso 1 1 calc R . .
H16B H 0.0245 0.4054 -0.1068 0.082 Uiso 1 1 calc R . .
H16C H 0.0411 0.3199 -0.0647 0.082 Uiso 1 1 calc R . .
C17 C -0.1281(3) 0.30667(18) 0.1042(3) 0.0809(11) Uani 1 1 d . . .
H17A H -0.2279 0.3264 0.0646 0.097 Uiso 1 1 calc R . .
H17B H -0.1467 0.2842 0.1717 0.097 Uiso 1 1 calc R . .
H17C H -0.0865 0.2680 0.0611 0.097 Uiso 1 1 calc R . .
C18 C -0.0668(4) 0.4058(3) 0.3162(3) 0.0905(13) Uani 1 1 d . . .
H18A H -0.0903 0.3522 0.3257 0.109 Uiso 1 1 calc R . .
H18B H -0.1656 0.4347 0.3034 0.109 Uiso 1 1 calc R . .
H18C H 0.0010 0.4247 0.3810 0.109 Uiso 1 1 calc R . .
C19 C 0.1848(5) 0.53283(18) 0.2887(3) 0.0833(12) Uani 1 1 d . . .
H19A H 0.2025 0.5121 0.3614 0.100 Uiso 1 1 calc R . .
H19B H 0.1036 0.5723 0.2826 0.100 Uiso 1 1 calc R . .
H19C H 0.2836 0.5546 0.2734 0.100 Uiso 1 1 calc R . .
F1A F 0.5531(11) 0.6186(6) 0.3265(9) 0.148(4) Uani 0.60 1 d P A 1
F2A F 0.6637(10) 0.5476(3) 0.2209(8) 0.091(2) Uani 0.60 1 d P A 1
F3A F 0.7981(6) 0.6258(5) 0.2978(7) 0.151(3) Uani 0.60 1 d P A 1
F4A F 0.6052(12) 0.6679(4) 0.1810(7) 0.192(4) Uani 0.60 1 d P A 1
B1A B 0.660(3) 0.6174(13) 0.2545(15) 0.058(2) Uani 0.60 1 d P A 1
F1B F 0.5147(10) 0.6279(7) 0.2989(11) 0.087(3) Uani 0.40 1 d P B 2
F2B F 0.6375(14) 0.5522(7) 0.1973(12) 0.115(5) Uani 0.40 1 d P B 2
F3B F 0.7526(11) 0.6081(6) 0.3770(8) 0.138(3) Uani 0.40 1 d P B 2
F4B F 0.7158(11) 0.6770(5) 0.2296(8) 0.097(3) Uani 0.40 1 d P B 2
B1B B 0.647(4) 0.612(2) 0.280(3) 0.058(2) Uani 0.40 1 d P B 2
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'
B B 0.0013 0.0007 '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'
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
C2 Co C10 169.31(8)
C2 Co C13 102.47(9)
C10 Co C13 67.36(9)
C2 Co C14 132.91(10)
C10 Co C14 40.58(9)
C13 Co C14 40.35(10)
C2 Co C11 133.91(10)
C10 Co C11 40.30(9)
C13 Co C11 67.16(9)
C14 Co C11 68.12(9)
C2 Co C12 103.18(9)
C10 Co C12 67.05(9)
C13 Co C12 39.97(11)
C14 Co C12 67.73(9)
C11 Co C12 39.58(9)
C2 Co C3 39.88(10)
C10 Co C3 142.89(9)
C13 Co C3 101.95(9)
C14 Co C3 108.06(9)
C11 Co C3 167.46(9)
C12 Co C3 127.95(10)
C2 Co C1 39.56(9)
C10 Co C1 143.86(9)
C13 Co C1 125.99(10)
C14 Co C1 166.35(9)
C11 Co C1 108.81(9)
C12 Co C1 101.14(9)
C3 Co C1 71.93(9)
C2 Co C5 92.68(9)
C10 Co C5 97.33(8)
C13 Co C5 139.24(10)
C14 Co C5 103.47(9)
C11 Co C5 125.26(9)
C12 Co C5 163.87(9)
C3 Co C5 66.94(8)
C1 Co C5 89.18(9)
C2 Co C6 92.37(9)
C10 Co C6 97.83(8)
C13 Co C6 165.16(9)
C14 Co C6 126.88(9)
C11 Co C6 102.55(8)
C12 Co C6 136.57(10)
C3 Co C6 89.30(8)
C1 Co C6 66.56(9)
C5 Co C6 37.90(8)
C2 C1 C7 125.6(2)
C2 C1 Co 66.82(13)
C7 C1 Co 96.93(14)
C1 C2 C3 123.5(2)
C1 C2 Co 73.62(13)
C3 C2 Co 73.32(13)
C2 C3 C4 125.7(2)
C2 C3 Co 66.80(12)
C4 C3 Co 96.52(13)
C5 C4 C3 100.41(16)
C5 C4 C8 112.3(2)
C3 C4 C8 111.6(2)
C6 C5 C4 122.0(2)
C6 C5 Co 71.15(11)
C4 C5 Co 96.13(13)
C5 C6 C7 121.8(2)
C5 C6 Co 70.95(11)
C7 C6 Co 96.54(13)
C6 C7 C1 99.96(16)
C6 C7 C9 112.3(2)
C1 C7 C9 112.4(2)
C11 C10 C14 108.72(19)
C11 C10 C15 125.2(2)
C14 C10 C15 126.1(2)
C11 C10 Co 70.45(12)
C14 C10 Co 70.09(12)
C15 C10 Co 127.35(15)
C12 C11 C10 107.7(2)
C12 C11 C16 126.8(3)
C10 C11 C16 125.4(2)
C12 C11 Co 70.29(13)
C10 C11 Co 69.25(11)
C16 C11 Co 129.03(17)
C11 C12 C13 108.5(2)
C11 C12 C17 125.3(3)
C13 C12 C17 126.1(3)
C11 C12 Co 70.13(12)
C13 C12 Co 69.65(13)
C17 C12 Co 128.62(17)
C12 C13 C14 108.7(2)
C12 C13 C18 125.5(3)
C14 C13 C18 125.8(3)
C12 C13 Co 70.38(13)
C14 C13 Co 69.89(12)
C18 C13 Co 128.13(18)
C13 C14 C10 106.4(2)
C13 C14 C19 125.7(3)
C10 C14 C19 127.8(3)
C13 C14 Co 69.76(13)
C10 C14 Co 69.33(12)
C19 C14 Co 129.33(17)
F3A B1A F2A 100.6(17)
F3A B1A F4A 115.9(14)
F2A B1A F4A 115.7(17)
F3A B1A F1A 113.4(16)
F2A B1A F1A 106.3(13)
F4A B1A F1A 104.8(16)
F1B B1B F3B 108.8(18)
F1B B1B F4B 111(3)
F3B B1B F4B 100(2)
F1B B1B F2B 111(3)
F3B B1B F2B 122(3)
F4B B1B F2B 103.0(14)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Co C2 2.022(2)
Co C10 2.058(2)
Co C13 2.066(2)
Co C14 2.068(2)
Co C11 2.074(2)
Co C12 2.076(2)
Co C3 2.107(2)
Co C1 2.111(2)
Co C5 2.118(2)
Co C6 2.1205(19)
C1 C2 1.401(3)
C1 C7 1.516(3)
C2 C3 1.411(4)
C3 C4 1.517(3)
C4 C5 1.516(3)
C4 C8 1.519(3)
C5 C6 1.377(3)
C6 C7 1.516(3)
C7 C9 1.523(3)
C10 C11 1.423(3)
C10 C14 1.431(3)
C10 C15 1.497(3)
C11 C12 1.405(3)
C11 C16 1.503(3)
C12 C13 1.416(4)
C12 C17 1.506(3)
C13 C14 1.426(4)
C13 C18 1.506(3)
C14 C19 1.493(3)
F1A B1A 1.402(11)
F2A B1A 1.31(2)
F3A B1A 1.23(3)
F4A B1A 1.32(2)
F1B B1B 1.23(3)
F2B B1B 1.49(4)
F3B B1B 1.40(4)
F4B B1B 1.48(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
C10 Co C1 C2 -163.44(14)
C13 Co C1 C2 -62.60(17)
C14 Co C1 C2 -63.0(4)
C11 Co C1 C2 -137.56(14)
C12 Co C1 C2 -97.28(15)
C3 Co C1 C2 29.24(13)
C5 Co C1 C2 95.20(14)
C6 Co C1 C2 126.56(15)
C2 Co C1 C7 -125.9(2)
C10 Co C1 C7 70.65(19)
C13 Co C1 C7 171.49(13)
C14 Co C1 C7 171.1(3)
C11 Co C1 C7 96.53(14)
C12 Co C1 C7 136.81(15)
C3 Co C1 C7 -96.67(15)
C5 Co C1 C7 -30.71(14)
C6 Co C1 C7 0.65(13)
C7 C1 C2 C3 25.3(3)
Co C1 C2 C3 -56.4(2)
C7 C1 C2 Co 81.6(2)
C10 Co C2 C1 115.0(5)
C13 Co C2 C1 132.64(15)
C14 Co C2 C1 163.32(13)
C11 Co C2 C1 62.46(18)
C12 Co C2 C1 91.60(15)
C3 Co C2 C1 -133.6(2)
C5 Co C2 C1 -85.46(14)
C6 Co C2 C1 -47.52(14)
C10 Co C2 C3 -111.4(5)
C13 Co C2 C3 -93.78(15)
C14 Co C2 C3 -63.10(18)
C11 Co C2 C3 -163.96(13)
C12 Co C2 C3 -134.81(14)
C1 Co C2 C3 133.6(2)
C5 Co C2 C3 48.12(14)
C6 Co C2 C3 86.06(14)
C1 C2 C3 C4 -24.5(3)
Co C2 C3 C4 -81.0(2)
C1 C2 C3 Co 56.50(19)
C10 Co C3 C2 163.36(14)
C13 Co C3 C2 95.22(15)
C14 Co C3 C2 136.60(14)
C11 Co C3 C2 66.5(5)
C12 Co C3 C2 61.16(17)
C1 Co C3 C2 -29.03(13)
C5 Co C3 C2 -126.07(15)
C6 Co C3 C2 -94.55(14)
C2 Co C3 C4 126.2(2)
C10 Co C3 C4 -70.44(19)
C13 Co C3 C4 -138.57(15)
C14 Co C3 C4 -97.19(15)
C11 Co C3 C4 -167.3(4)
C12 Co C3 C4 -172.64(14)
C1 Co C3 C4 97.17(15)
C5 Co C3 C4 0.13(13)
C6 Co C3 C4 31.66(15)
C2 C3 C4 C5 65.9(3)
Co C3 C4 C5 -0.18(17)
C2 C3 C4 C8 -175.0(2)
Co C3 C4 C8 118.98(19)
C3 C4 C5 C6 -71.4(2)
C8 C4 C5 C6 169.91(19)
C3 C4 C5 Co 0.18(17)
C8 C4 C5 Co -118.52(17)
C2 Co C5 C6 90.42(14)
C10 Co C5 C6 -93.34(14)
C13 Co C5 C6 -156.91(14)
C14 Co C5 C6 -134.18(14)
C11 Co C5 C6 -61.63(16)
C12 Co C5 C6 -79.3(4)
C3 Co C5 C6 121.67(15)
C1 Co C5 C6 51.00(14)
C2 Co C5 C4 -31.39(15)
C10 Co C5 C4 144.86(14)
C13 Co C5 C4 81.28(19)
C14 Co C5 C4 104.02(14)
C11 Co C5 C4 176.56(13)
C12 Co C5 C4 158.9(3)
C3 Co C5 C4 -0.13(13)
C1 Co C5 C4 -70.80(14)
C6 Co C5 C4 -121.8(2)
C4 C5 C6 C7 -0.5(3)
Co C5 C6 C7 -85.84(18)
C4 C5 C6 Co 85.38(18)
C2 Co C6 C5 -91.31(15)
C10 Co C6 C5 91.90(14)
C13 Co C6 C5 88.1(4)
C14 Co C6 C5 60.69(16)
C11 Co C6 C5 132.60(14)
C12 Co C6 C5 156.61(14)
C3 Co C6 C5 -51.55(14)
C1 Co C6 C5 -122.11(15)
C2 Co C6 C7 30.15(14)
C10 Co C6 C7 -146.63(13)
C13 Co C6 C7 -150.5(4)
C14 Co C6 C7 -177.85(12)
C11 Co C6 C7 -105.93(14)
C12 Co C6 C7 -81.92(17)
C3 Co C6 C7 69.92(14)
C1 Co C6 C7 -0.65(13)
C5 Co C6 C7 121.46(19)
C5 C6 C7 C1 72.4(2)
Co C6 C7 C1 0.84(17)
C5 C6 C7 C9 -168.19(19)
Co C6 C7 C9 120.21(17)
C2 C1 C7 C6 -67.2(3)
Co C1 C7 C6 -0.84(17)
C2 C1 C7 C9 173.5(2)
Co C1 C7 C9 -120.17(18)
C2 Co C10 C11 -62.2(5)
C13 Co C10 C11 -80.87(14)
C14 Co C10 C11 -119.39(18)
C12 Co C10 C11 -37.35(13)
C3 Co C10 C11 -160.53(14)
C1 Co C10 C11 39.7(2)
C5 Co C10 C11 138.44(13)
C6 Co C10 C11 100.19(13)
C2 Co C10 C14 57.2(6)
C13 Co C10 C14 38.52(14)
C11 Co C10 C14 119.39(18)
C12 Co C10 C14 82.04(15)
C3 Co C10 C14 -41.14(19)
C1 Co C10 C14 159.10(15)
C5 Co C10 C14 -102.17(13)
C6 Co C10 C14 -140.42(13)
C2 Co C10 C15 177.9(5)
C13 Co C10 C15 159.3(3)
C14 Co C10 C15 120.8(3)
C11 Co C10 C15 -119.8(3)
C12 Co C10 C15 -157.2(3)
C3 Co C10 C15 79.6(3)
C1 Co C10 C15 -80.1(3)
C5 Co C10 C15 18.6(3)
C6 Co C10 C15 -19.7(3)
C14 C10 C11 C12 0.2(2)
C15 C10 C11 C12 -177.4(2)
Co C10 C11 C12 60.06(15)
C14 C10 C11 C16 176.3(2)
C15 C10 C11 C16 -1.3(3)
Co C10 C11 C16 -123.8(2)
C14 C10 C11 Co -59.87(14)
C15 C10 C11 Co 122.5(2)
C2 Co C11 C12 48.11(19)
C10 Co C11 C12 -118.72(19)
C13 Co C11 C12 -37.29(15)
C14 Co C11 C12 -81.07(15)
C3 Co C11 C12 -6.6(5)
C1 Co C11 C12 84.73(15)
C5 Co C11 C12 -172.42(13)
C6 Co C11 C12 153.96(14)
C2 Co C11 C10 166.83(13)
C13 Co C11 C10 81.43(14)
C14 Co C11 C10 37.65(13)
C12 Co C11 C10 118.72(19)
C3 Co C11 C10 112.2(4)
C1 Co C11 C10 -156.55(13)
C5 Co C11 C10 -53.70(16)
C6 Co C11 C10 -87.32(13)
C2 Co C11 C16 -73.8(3)
C10 Co C11 C16 119.4(3)
C13 Co C11 C16 -159.2(3)
C14 Co C11 C16 157.0(3)
C12 Co C11 C16 -121.9(3)
C3 Co C11 C16 -128.5(4)
C1 Co C11 C16 -37.2(3)
C5 Co C11 C16 65.7(3)
C6 Co C11 C16 32.1(3)
C10 C11 C12 C13 -0.1(2)
C16 C11 C12 C13 -176.2(2)
Co C11 C12 C13 59.25(15)
C10 C11 C12 C17 176.7(2)
C16 C11 C12 C17 0.7(4)
Co C11 C12 C17 -123.9(2)
C10 C11 C12 Co -59.40(14)
C16 C11 C12 Co 124.6(2)
C2 Co C12 C11 -146.58(14)
C10 Co C12 C11 38.02(13)
C13 Co C12 C11 119.7(2)
C14 Co C12 C11 82.15(15)
C3 Co C12 C11 178.20(13)
C1 Co C12 C11 -106.12(14)
C5 Co C12 C11 22.8(4)
C6 Co C12 C11 -38.56(19)
C2 Co C12 C13 93.77(15)
C10 Co C12 C13 -81.63(15)
C14 Co C12 C13 -37.50(14)
C11 Co C12 C13 -119.7(2)
C3 Co C12 C13 58.54(18)
C1 Co C12 C13 134.23(14)
C5 Co C12 C13 -96.8(4)
C6 Co C12 C13 -158.21(15)
C2 Co C12 C17 -26.7(3)
C10 Co C12 C17 157.9(3)
C13 Co C12 C17 -120.5(4)
C14 Co C12 C17 -158.0(3)
C11 Co C12 C17 119.8(4)
C3 Co C12 C17 -62.0(3)
C1 Co C12 C17 13.7(3)
C5 Co C12 C17 142.7(3)
C6 Co C12 C17 81.3(3)
C11 C12 C13 C14 0.1(2)
C17 C12 C13 C14 -176.8(2)
Co C12 C13 C14 59.61(15)
C11 C12 C13 C18 177.0(2)
C17 C12 C13 C18 0.2(4)
Co C12 C13 C18 -123.4(2)
C11 C12 C13 Co -59.55(15)
C17 C12 C13 Co 123.6(2)
C2 Co C13 C12 -95.73(15)
C10 Co C13 C12 80.79(15)
C14 Co C13 C12 119.53(19)
C11 Co C13 C12 36.93(14)
C3 Co C13 C12 -136.56(14)
C1 Co C13 C12 -60.34(17)
C5 Co C13 C12 155.01(15)
C6 Co C13 C12 84.9(4)
C2 Co C13 C14 144.75(14)
C10 Co C13 C14 -38.74(13)
C11 Co C13 C14 -82.60(14)
C12 Co C13 C14 -119.53(19)
C3 Co C13 C14 103.91(14)
C1 Co C13 C14 -179.87(13)
C5 Co C13 C14 35.5(2)
C6 Co C13 C14 -34.6(5)
C2 Co C13 C18 24.5(3)
C10 Co C13 C18 -159.0(4)
C14 Co C13 C18 -120.3(4)
C11 Co C13 C18 157.1(4)
C12 Co C13 C18 120.2(4)
C3 Co C13 C18 -16.4(3)
C1 Co C13 C18 59.9(4)
C5 Co C13 C18 -84.8(3)
C6 Co C13 C18 -154.9(4)
C12 C13 C14 C10 0.1(2)
C18 C13 C14 C10 -176.9(2)
Co C13 C14 C10 59.96(14)
C12 C13 C14 C19 175.6(2)
C18 C13 C14 C19 -1.4(4)
Co C13 C14 C19 -124.5(2)
C12 C13 C14 Co -59.91(15)
C18 C13 C14 Co 123.1(2)
C11 C10 C14 C13 -0.1(2)
C15 C10 C14 C13 177.5(2)
Co C10 C14 C13 -60.24(14)
C11 C10 C14 C19 -175.5(2)
C15 C10 C14 C19 2.1(4)
Co C10 C14 C19 124.4(2)
C11 C10 C14 Co 60.10(14)
C15 C10 C14 Co -122.3(2)
C2 Co C14 C13 -50.30(19)
C10 Co C14 C13 117.40(19)
C11 Co C14 C13 80.01(15)
C12 Co C14 C13 37.16(14)
C3 Co C14 C13 -87.27(15)
C1 Co C14 C13 0.5(4)
C5 Co C14 C13 -157.06(14)
C6 Co C14 C13 169.52(13)
C2 Co C14 C10 -167.71(13)
C13 Co C14 C10 -117.40(19)
C11 Co C14 C10 -37.39(12)
C12 Co C14 C10 -80.24(14)
C3 Co C14 C10 155.32(12)
C1 Co C14 C10 -116.9(4)
C5 Co C14 C10 85.53(13)
C6 Co C14 C10 52.11(16)
C2 Co C14 C19 69.8(3)
C10 Co C14 C19 -122.5(3)
C13 Co C14 C19 120.1(3)
C11 Co C14 C19 -159.9(3)
C12 Co C14 C19 157.2(3)
C3 Co C14 C19 32.8(3)
C1 Co C14 C19 120.5(4)
C5 Co C14 C19 -37.0(3)
C6 Co C14 C19 -70.4(3)
