#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:14:32 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179805 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/01/7010107.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_7010107
loop_
_publ_author_name
'Adams, Harry'
'Guio, Laurence V. Y.'
'Morris, Michael J.'
'Pratt, A. James'
_publ_section_title
;
 A novel route to dithiolenes from 1,3-dithiole-2-thiones at a dicobalt
 centre
;
_journal_issue                   20
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3489
_journal_paper_doi               10.1039/b006052f
_journal_year                    2000
_chemical_formula_sum            'C36 H30 Cl2 Co2 O7 P2 S3'
_chemical_formula_weight         921.48
_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                 111.669(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.377(4)
_cell_length_b                   19.726(6)
_cell_length_c                   14.775(4)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    150(2)
_cell_volume                     3894.1(19)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_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      150(2)
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.1285
_diffrn_reflns_av_sigmaI/netI    0.1921
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            25383
_diffrn_reflns_theta_full        28.30
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    1.279
_exptl_absorpt_correction_T_max  0.7840
_exptl_absorpt_correction_T_min  0.5968
_exptl_absorpt_correction_type   semi-empirical
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.572
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1872
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.026
_refine_diff_density_min         -0.634
_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.846
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         9295
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.846
_refine_ls_R_factor_all          0.1479
_refine_ls_R_factor_gt           0.0605
_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)+(0.0571P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1275
_refine_ls_wR_factor_ref         0.1504
_reflns_number_gt                4270
_reflns_number_total             9295
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b006052f.txt
_cod_data_source_block           ims8
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        3894(2)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7010107
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
Co1 Co 0.45587(5) 0.18874(4) 0.38939(5) 0.02378(19) Uani 1 1 d . . .
Co2 Co 0.55220(5) 0.20046(3) 0.28379(5) 0.02163(18) Uani 1 1 d . . .
P1 P 0.30930(10) 0.19429(7) 0.26535(9) 0.0222(3) Uani 1 1 d . . .
P2 P 0.42995(10) 0.22233(7) 0.14182(9) 0.0214(3) Uani 1 1 d . . .
S1 S 0.62437(10) 0.17757(7) 0.43997(9) 0.0240(3) Uani 1 1 d . . .
S2 S 0.58132(10) 0.09157(7) 0.24752(9) 0.0249(3) Uani 1 1 d . . .
S3 S 0.49606(12) 0.34865(7) 0.35365(11) 0.0368(4) Uani 1 1 d . . .
O1 O 0.4270(3) 0.2650(2) 0.5484(3) 0.0523(12) Uani 1 1 d . . .
O2 O 0.4248(3) 0.0480(2) 0.4446(3) 0.0459(11) Uani 1 1 d . . .
O3 O 0.7225(3) 0.2583(2) 0.2497(3) 0.0439(11) Uani 1 1 d . . .
O4 O 0.7380(3) 0.10116(19) 0.6172(3) 0.0353(10) Uani 1 1 d . . .
O5 O 0.7831(3) 0.01483(18) 0.5443(2) 0.0284(9) Uani 1 1 d . . .
O6 O 0.6482(3) -0.05959(18) 0.3693(3) 0.0330(9) Uani 1 1 d . . .
O7 O 0.7707(3) -0.01151(18) 0.3315(3) 0.0296(9) Uani 1 1 d . . .
C1 C 0.4361(4) 0.2339(3) 0.4880(4) 0.0346(14) Uani 1 1 d . . .
C2 C 0.4365(4) 0.1012(3) 0.4212(4) 0.0292(13) Uani 1 1 d . . .
C3 C 0.6534(4) 0.2377(3) 0.2602(4) 0.0272(13) Uani 1 1 d . . .
C4 C 0.4973(3) 0.2678(3) 0.3395(3) 0.0209(11) Uani 1 1 d . . .
C5 C 0.3166(4) 0.2443(2) 0.1643(3) 0.0222(12) Uani 1 1 d . . .
H5A H 0.3176 0.2932 0.1800 0.027 Uiso 1 1 calc R . .
H5B H 0.2569 0.2355 0.1050 0.027 Uiso 1 1 calc R . .
C6 C 0.2081(4) 0.2330(3) 0.2943(4) 0.0240(12) Uani 1 1 d . . .
C7 C 0.1804(4) 0.2006(3) 0.3652(4) 0.0317(13) Uani 1 1 d . . .
H7A H 0.2158 0.1618 0.3982 0.038 Uiso 1 1 calc R . .
C8 C 0.1010(4) 0.2258(3) 0.3866(4) 0.0388(15) Uani 1 1 d . . .
H8A H 0.0810 0.2033 0.4334 0.047 Uiso 1 1 calc R . .
C9 C 0.0509(5) 0.2830(3) 0.3409(4) 0.0431(16) Uani 1 1 d . . .
H9A H -0.0033 0.3000 0.3562 0.052 Uiso 1 1 calc R . .
C10 C 0.0794(4) 0.3157(3) 0.2727(4) 0.0389(15) Uani 1 1 d . . .
H10A H 0.0448 0.3554 0.2420 0.047 Uiso 1 1 calc R . .
C11 C 0.1580(4) 0.2913(3) 0.2483(4) 0.0323(14) Uani 1 1 d . . .
H11A H 0.1771 0.3140 0.2011 0.039 Uiso 1 1 calc R . .
C12 C 0.2550(4) 0.1148(3) 0.2059(3) 0.0239(12) Uani 1 1 d . . .
C13 C 0.1518(4) 0.1102(3) 0.1510(3) 0.0283(13) Uani 1 1 d . . .
H13A H 0.1095 0.1477 0.1485 0.034 Uiso 1 1 calc R . .
C14 C 0.1115(4) 0.0518(3) 0.1008(4) 0.0347(14) Uani 1 1 d . . .
H14A H 0.0417 0.0492 0.0642 0.042 Uiso 1 1 calc R . .
C15 C 0.1726(5) -0.0033(3) 0.1035(4) 0.0392(15) Uani 1 1 d . . .
H15A H 0.1450 -0.0437 0.0691 0.047 Uiso 1 1 calc R . .
C16 C 0.2742(5) 0.0014(3) 0.1568(4) 0.0383(15) Uani 1 1 d . . .
H16A H 0.3165 -0.0361 0.1591 0.046 Uiso 1 1 calc R . .
C17 C 0.3146(4) 0.0600(3) 0.2068(4) 0.0310(13) Uani 1 1 d . . .
H17A H 0.3846 0.0626 0.2423 0.037 Uiso 1 1 calc R . .
C18 C 0.3969(4) 0.1567(2) 0.0494(3) 0.0230(12) Uani 1 1 d . . .
C19 C 0.2990(4) 0.1343(3) -0.0030(4) 0.0339(14) Uani 1 1 d . . .
H19A H 0.2446 0.1523 0.0112 0.041 Uiso 1 1 calc R . .
C20 C 0.2818(5) 0.0862(3) -0.0753(4) 0.0474(17) Uani 1 1 d . . .
H20A H 0.2152 0.0720 -0.1113 0.057 Uiso 1 1 calc R . .
C21 C 0.3588(5) 0.0587(3) -0.0958(4) 0.0464(17) Uani 1 1 d . . .
H21A H 0.3460 0.0241 -0.1436 0.056 Uiso 1 1 calc R . .
C22 C 0.4549(5) 0.0810(3) -0.0470(4) 0.0372(15) Uani 1 1 d . . .
H22A H 0.5083 0.0626 -0.0626 0.045 Uiso 1 1 calc R . .
C23 C 0.4745(4) 0.1301(3) 0.0246(4) 0.0294(13) Uani 1 1 d . . .
H23A H 0.5411 0.1458 0.0572 0.035 Uiso 1 1 calc R . .
C24 C 0.4447(4) 0.2959(3) 0.0726(3) 0.0220(12) Uani 1 1 d . . .
C25 C 0.3830(4) 0.3022(3) -0.0249(4) 0.0266(12) Uani 1 1 d . . .
H25A H 0.3366 0.2672 -0.0555 0.032 Uiso 1 1 calc R . .
C26 C 0.3885(4) 0.3585(3) -0.0775(4) 0.0314(14) Uani 1 1 d . . .
H26A H 0.3446 0.3631 -0.1435 0.038 Uiso 1 1 calc R . .
C27 C 0.4573(4) 0.4079(3) -0.0346(4) 0.0353(14) Uani 1 1 d . . .
H27A H 0.4612 0.4465 -0.0716 0.042 Uiso 1 1 calc R . .
C28 C 0.5207(4) 0.4028(3) 0.0607(4) 0.0345(14) Uani 1 1 d . . .
H28A H 0.5692 0.4370 0.0895 0.041 Uiso 1 1 calc R . .
C29 C 0.5130(4) 0.3462(3) 0.1153(4) 0.0286(13) Uani 1 1 d . . .
H29A H 0.5552 0.3427 0.1820 0.034 Uiso 1 1 calc R . .
C30 C 0.6693(3) 0.0940(3) 0.4447(3) 0.0211(11) Uani 1 1 d . . .
C31 C 0.6511(4) 0.0595(2) 0.3608(4) 0.0211(11) Uani 1 1 d . . .
C32 C 0.7322(4) 0.0716(3) 0.5449(4) 0.0273(13) Uani 1 1 d . . .
C33 C 0.6989(4) -0.0067(3) 0.3534(4) 0.0243(12) Uani 1 1 d . . .
C34 C 0.8493(4) -0.0066(3) 0.6409(4) 0.0369(15) Uani 1 1 d . . .
H34A H 0.8842 -0.0482 0.6357 0.055 Uiso 1 1 calc R . .
H34B H 0.8098 -0.0152 0.6814 0.055 Uiso 1 1 calc R . .
H34C H 0.8983 0.0292 0.6707 0.055 Uiso 1 1 calc R . .
C35 C 0.6915(5) -0.1253(3) 0.3608(5) 0.0462(17) Uani 1 1 d . . .
H35A H 0.6512 -0.1617 0.3732 0.069 Uiso 1 1 calc R . .
H35B H 0.7601 -0.1280 0.4085 0.069 Uiso 1 1 calc R . .
H35C H 0.6920 -0.1303 0.2950 0.069 Uiso 1 1 calc R . .
Cl1 Cl 1.26383(14) -0.12998(12) 0.96350(14) 0.0740(6) Uani 1 1 d . . .
Cl2 Cl 1.08972(14) -0.06610(13) 0.81849(15) 0.0808(7) Uani 1 1 d . . .
C1S C 1.1969(5) -0.1126(5) 0.8459(5) 0.087(3) Uani 1 1 d . . .
H1SA H 1.1789 -0.1562 0.8107 0.105 Uiso 1 1 calc R . .
H1SB H 1.2414 -0.0883 0.8192 0.105 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'
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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
_geom_angle_publ_flag
C1 Co1 C2 99.9(2) . . ?
C1 Co1 C4 94.2(2) . . ?
C2 Co1 C4 164.5(2) . . ?
C1 Co1 P1 104.78(18) . . ?
C2 Co1 P1 94.02(16) . . ?
C4 Co1 P1 88.71(14) . . ?
C1 Co1 S1 104.36(18) . . ?
C2 Co1 S1 93.93(16) . . ?
C4 Co1 S1 76.07(14) . . ?
P1 Co1 S1 147.93(6) . . ?
C1 Co1 Co2 139.22(19) . . ?
C2 Co1 Co2 115.23(17) . . ?
C4 Co1 Co2 49.28(15) . . ?
P1 Co1 Co2 93.26(5) . . ?
S1 Co1 Co2 55.43(4) . . ?
C3 Co2 C4 107.5(2) . . ?
C3 Co2 S1 100.82(17) . . ?
C4 Co2 S1 78.33(14) . . ?
C3 Co2 P2 98.85(17) . . ?
C4 Co2 P2 87.86(14) . . ?
S1 Co2 P2 158.61(6) . . ?
C3 Co2 S2 96.20(17) . . ?
C4 Co2 S2 155.05(16) . . ?
S1 Co2 S2 89.81(5) . . ?
P2 Co2 S2 96.34(5) . . ?
C3 Co2 Co1 149.45(17) . . ?
C4 Co2 Co1 50.31(15) . . ?
S1 Co2 Co1 58.07(5) . . ?
P2 Co2 Co1 100.55(5) . . ?
S2 Co2 Co1 104.82(5) . . ?
C5 P1 C12 102.4(2) . . ?
C5 P1 C6 104.9(2) . . ?
C12 P1 C6 103.6(2) . . ?
C5 P1 Co1 112.15(17) . . ?
C12 P1 Co1 117.41(17) . . ?
C6 P1 Co1 114.90(17) . . ?
C18 P2 C5 107.6(2) . . ?
C18 P2 C24 101.4(2) . . ?
C5 P2 C24 102.0(2) . . ?
C18 P2 Co2 117.88(17) . . ?
C5 P2 Co2 108.71(16) . . ?
C24 P2 Co2 117.76(17) . . ?
C30 S1 Co2 104.92(17) . . ?
C30 S1 Co1 115.80(16) . . ?
Co2 S1 Co1 66.51(4) . . ?
C31 S2 Co2 102.01(18) . . ?
C32 O5 C34 113.4(4) . . ?
C33 O6 C35 113.4(4) . . ?
O1 C1 Co1 175.9(6) . . ?
O2 C2 Co1 177.1(5) . . ?
O3 C3 Co2 175.1(5) . . ?
S3 C4 Co2 141.5(3) . . ?
S3 C4 Co1 137.6(3) . . ?
Co2 C4 Co1 80.4(2) . . ?
P1 C5 P2 110.1(3) . . ?
C11 C6 C7 120.0(5) . . ?
C11 C6 P1 122.9(4) . . ?
C7 C6 P1 117.1(4) . . ?
C8 C7 C6 119.6(5) . . ?
C9 C8 C7 120.5(5) . . ?
C8 C9 C10 120.0(6) . . ?
C9 C10 C11 121.0(6) . . ?
C10 C11 C6 118.8(5) . . ?
C17 C12 C13 118.3(5) . . ?
C17 C12 P1 121.1(4) . . ?
C13 C12 P1 120.4(4) . . ?
C14 C13 C12 120.6(5) . . ?
C13 C14 C15 120.3(5) . . ?
C16 C15 C14 119.1(5) . . ?
C17 C16 C15 120.6(5) . . ?
C12 C17 C16 121.1(5) . . ?
C23 C18 C19 118.1(5) . . ?
C23 C18 P2 116.9(4) . . ?
C19 C18 P2 124.8(4) . . ?
C20 C19 C18 120.0(5) . . ?
C21 C20 C19 121.1(6) . . ?
C20 C21 C22 119.9(6) . . ?
C21 C22 C23 120.4(6) . . ?
C22 C23 C18 120.4(5) . . ?
C29 C24 C25 119.1(5) . . ?
C29 C24 P2 121.7(4) . . ?
C25 C24 P2 119.2(4) . . ?
C26 C25 C24 120.6(5) . . ?
C27 C26 C25 119.8(5) . . ?
C26 C27 C28 121.2(5) . . ?
C27 C28 C29 119.0(5) . . ?
C24 C29 C28 120.3(5) . . ?
C31 C30 C32 127.2(5) . . ?
C31 C30 S1 119.3(4) . . ?
C32 C30 S1 113.3(4) . . ?
C30 C31 C33 124.5(4) . . ?
C30 C31 S2 123.6(4) . . ?
C33 C31 S2 111.6(3) . . ?
O4 C32 O5 123.9(5) . . ?
O4 C32 C30 124.2(5) . . ?
O5 C32 C30 112.0(5) . . ?
O7 C33 O6 124.5(5) . . ?
O7 C33 C31 123.7(5) . . ?
O6 C33 C31 111.8(4) . . ?
Cl1 C1S Cl2 118.5(4) . . ?
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 C1 1.818(6) . ?
Co1 C2 1.838(6) . ?
Co1 C4 1.912(5) . ?
Co1 P1 2.2270(16) . ?
Co1 S1 2.2670(16) . ?
Co1 Co2 2.4498(11) . ?
Co2 C3 1.775(6) . ?
Co2 C4 1.883(5) . ?
Co2 S1 2.1995(16) . ?
Co2 P2 2.2255(15) . ?
Co2 S2 2.2897(16) . ?
P1 C5 1.824(5) . ?
P1 C12 1.825(5) . ?
P1 C6 1.827(5) . ?
P2 C18 1.813(5) . ?
P2 C5 1.832(5) . ?
P2 C24 1.833(5) . ?
S1 C30 1.763(5) . ?
S2 C31 1.722(5) . ?
S3 C4 1.609(5) . ?
O1 C1 1.129(6) . ?
O2 C2 1.136(6) . ?
O3 C3 1.136(6) . ?
O4 C32 1.193(6) . ?
O5 C32 1.340(6) . ?
O5 C34 1.456(6) . ?
O6 C33 1.342(6) . ?
O6 C35 1.463(6) . ?
O7 C33 1.193(6) . ?
C6 C11 1.394(7) . ?
C6 C7 1.404(7) . ?
C7 C8 1.384(7) . ?
C8 C9 1.375(8) . ?
C9 C10 1.378(8) . ?
C10 C11 1.394(7) . ?
C12 C17 1.377(7) . ?
C12 C13 1.407(7) . ?
C13 C14 1.377(7) . ?
C14 C15 1.389(8) . ?
C15 C16 1.382(8) . ?
C16 C17 1.379(7) . ?
C18 C23 1.399(7) . ?
C18 C19 1.403(7) . ?
C19 C20 1.381(7) . ?
C20 C21 1.363(8) . ?
C21 C22 1.374(8) . ?
C22 C23 1.385(7) . ?
C24 C29 1.374(7) . ?
C24 C25 1.391(7) . ?
C25 C26 1.375(7) . ?
C26 C27 1.366(8) . ?
C27 C28 1.371(8) . ?
C28 C29 1.405(7) . ?
C30 C31 1.352(7) . ?
C30 C32 1.488(7) . ?
C31 C33 1.499(7) . ?
Cl1 C1S 1.681(7) . ?
Cl2 C1S 1.709(7) . ?
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
C1 Co1 Co2 C3 18.6(4) . . . . ?
C2 Co1 Co2 C3 -128.2(4) . . . . ?
C4 Co1 Co2 C3 50.3(4) . . . . ?
P1 Co1 Co2 C3 135.8(3) . . . . ?
S1 Co1 Co2 C3 -51.6(3) . . . . ?
C1 Co1 Co2 C4 -31.7(3) . . . . ?
C2 Co1 Co2 C4 -178.5(3) . . . . ?
P1 Co1 Co2 C4 85.49(18) . . . . ?
S1 Co1 Co2 C4 -101.97(18) . . . . ?
C1 Co1 Co2 S1 70.3(3) . . . . ?
C2 Co1 Co2 S1 -76.54(18) . . . . ?
C4 Co1 Co2 S1 101.97(18) . . . . ?
P1 Co1 Co2 S1 -172.54(6) . . . . ?
C1 Co1 Co2 P2 -110.0(3) . . . . ?
C2 Co1 Co2 P2 103.25(18) . . . . ?
C4 Co1 Co2 P2 -78.23(18) . . . . ?
P1 Co1 Co2 P2 7.25(6) . . . . ?
S1 Co1 Co2 P2 179.79(6) . . . . ?
C1 Co1 Co2 S2 150.5(3) . . . . ?
C2 Co1 Co2 S2 3.73(18) . . . . ?
C4 Co1 Co2 S2 -177.75(18) . . . . ?
P1 Co1 Co2 S2 -92.27(6) . . . . ?
S1 Co1 Co2 S2 80.27(6) . . . . ?
C1 Co1 P1 C5 114.3(3) . . . . ?
C2 Co1 P1 C5 -144.4(2) . . . . ?
C4 Co1 P1 C5 20.3(2) . . . . ?
S1 Co1 P1 C5 -40.4(2) . . . . ?
Co2 Co1 P1 C5 -28.80(18) . . . . ?
C1 Co1 P1 C12 -127.5(3) . . . . ?
C2 Co1 P1 C12 -26.2(2) . . . . ?
C4 Co1 P1 C12 138.5(2) . . . . ?
S1 Co1 P1 C12 77.8(2) . . . . ?
Co2 Co1 P1 C12 89.39(18) . . . . ?
C1 Co1 P1 C6 -5.4(3) . . . . ?
C2 Co1 P1 C6 96.0(3) . . . . ?
C4 Co1 P1 C6 -99.4(2) . . . . ?
S1 Co1 P1 C6 -160.1(2) . . . . ?
Co2 Co1 P1 C6 -148.44(19) . . . . ?
C3 Co2 P2 C18 95.3(3) . . . . ?
C4 Co2 P2 C18 -157.3(2) . . . . ?
S1 Co2 P2 C18 -107.9(2) . . . . ?
S2 Co2 P2 C18 -2.0(2) . . . . ?
Co1 Co2 P2 C18 -108.37(19) . . . . ?
C3 Co2 P2 C5 -142.0(2) . . . . ?
C4 Co2 P2 C5 -34.6(2) . . . . ?
S1 Co2 P2 C5 14.8(3) . . . . ?
S2 Co2 P2 C5 120.74(17) . . . . ?
Co1 Co2 P2 C5 14.33(17) . . . . ?
C3 Co2 P2 C24 -26.7(3) . . . . ?
C4 Co2 P2 C24 80.6(2) . . . . ?
S1 Co2 P2 C24 130.0(2) . . . . ?
S2 Co2 P2 C24 -124.03(18) . . . . ?
Co1 Co2 P2 C24 129.57(18) . . . . ?
C3 Co2 S1 C30 -91.9(2) . . . . ?
C4 Co2 S1 C30 162.3(2) . . . . ?
P2 Co2 S1 C30 111.5(2) . . . . ?
S2 Co2 S1 C30 4.38(17) . . . . ?
Co1 Co2 S1 C30 112.05(17) . . . . ?
C3 Co2 S1 Co1 156.06(18) . . . . ?
C4 Co2 S1 Co1 50.23(15) . . . . ?
P2 Co2 S1 Co1 -0.56(17) . . . . ?
S2 Co2 S1 Co1 -107.66(5) . . . . ?
C1 Co1 S1 C30 123.6(3) . . . . ?
C2 Co1 S1 C30 22.3(3) . . . . ?
C4 Co1 S1 C30 -145.6(2) . . . . ?
P1 Co1 S1 C30 -81.7(2) . . . . ?
Co2 Co1 S1 C30 -95.83(19) . . . . ?
C1 Co1 S1 Co2 -140.61(19) . . . . ?
C2 Co1 S1 Co2 118.14(17) . . . . ?
C4 Co1 S1 Co2 -49.80(15) . . . . ?
P1 Co1 S1 Co2 14.13(12) . . . . ?
C3 Co2 S2 C31 95.6(2) . . . . ?
C4 Co2 S2 C31 -66.2(4) . . . . ?
S1 Co2 S2 C31 -5.30(17) . . . . ?
P2 Co2 S2 C31 -164.77(17) . . . . ?
Co1 Co2 S2 C31 -62.07(17) . . . . ?
C2 Co1 C1 O1 157(8) . . . . ?
C4 Co1 C1 O1 -16(8) . . . . ?
P1 Co1 C1 O1 -106(8) . . . . ?
S1 Co1 C1 O1 60(8) . . . . ?
Co2 Co1 C1 O1 7(8) . . . . ?
C1 Co1 C2 O2 -14(10) . . . . ?
C4 Co1 C2 O2 141(9) . . . . ?
P1 Co1 C2 O2 -119(10) . . . . ?
S1 Co1 C2 O2 92(10) . . . . ?
Co2 Co1 C2 O2 145(10) . . . . ?
C4 Co2 C3 O3 117(6) . . . . ?
S1 Co2 C3 O3 36(6) . . . . ?
P2 Co2 C3 O3 -152(6) . . . . ?
S2 Co2 C3 O3 -55(6) . . . . ?
Co1 Co2 C3 O3 79(6) . . . . ?
C3 Co2 C4 S3 16.3(5) . . . . ?
S1 Co2 C4 S3 114.1(4) . . . . ?
P2 Co2 C4 S3 -82.3(4) . . . . ?
S2 Co2 C4 S3 177.24(19) . . . . ?
Co1 Co2 C4 S3 172.1(5) . . . . ?
C3 Co2 C4 Co1 -155.78(19) . . . . ?
S1 Co2 C4 Co1 -57.97(11) . . . . ?
P2 Co2 C4 Co1 105.61(12) . . . . ?
S2 Co2 C4 Co1 5.2(4) . . . . ?
C1 Co1 C4 S3 -12.8(4) . . . . ?
C2 Co1 C4 S3 -167.7(6) . . . . ?
P1 Co1 C4 S3 91.9(4) . . . . ?
S1 Co1 C4 S3 -116.6(4) . . . . ?
Co2 Co1 C4 S3 -172.7(5) . . . . ?
C1 Co1 C4 Co2 159.9(2) . . . . ?
C2 Co1 C4 Co2 5.0(9) . . . . ?
P1 Co1 C4 Co2 -95.42(12) . . . . ?
S1 Co1 C4 Co2 56.09(11) . . . . ?
C12 P1 C5 P2 -82.9(3) . . . . ?
C6 P1 C5 P2 169.2(2) . . . . ?
Co1 P1 C5 P2 43.9(3) . . . . ?
C18 P2 C5 P1 93.0(3) . . . . ?
C24 P2 C5 P1 -160.8(3) . . . . ?
Co2 P2 C5 P1 -35.7(3) . . . . ?
C5 P1 C6 C11 -4.1(5) . . . . ?
C12 P1 C6 C11 -111.1(5) . . . . ?
Co1 P1 C6 C11 119.5(4) . . . . ?
C5 P1 C6 C7 174.8(4) . . . . ?
C12 P1 C6 C7 67.8(4) . . . . ?
Co1 P1 C6 C7 -61.6(4) . . . . ?
C11 C6 C7 C8 2.1(8) . . . . ?
P1 C6 C7 C8 -176.9(4) . . . . ?
C6 C7 C8 C9 -1.6(9) . . . . ?
C7 C8 C9 C10 0.2(9) . . . . ?
C8 C9 C10 C11 0.7(9) . . . . ?
C9 C10 C11 C6 -0.2(8) . . . . ?
C7 C6 C11 C10 -1.2(8) . . . . ?
P1 C6 C11 C10 177.7(4) . . . . ?
C5 P1 C12 C17 96.7(4) . . . . ?
C6 P1 C12 C17 -154.4(4) . . . . ?
Co1 P1 C12 C17 -26.6(5) . . . . ?
C5 P1 C12 C13 -77.8(4) . . . . ?
C6 P1 C12 C13 31.1(4) . . . . ?
Co1 P1 C12 C13 158.9(3) . . . . ?
C17 C12 C13 C14 1.1(7) . . . . ?
P1 C12 C13 C14 175.7(4) . . . . ?
C12 C13 C14 C15 -0.3(8) . . . . ?
C13 C14 C15 C16 -0.2(9) . . . . ?
C14 C15 C16 C17 -0.1(9) . . . . ?
C13 C12 C17 C16 -1.4(8) . . . . ?
P1 C12 C17 C16 -176.0(4) . . . . ?
C15 C16 C17 C12 0.9(9) . . . . ?
C5 P2 C18 C23 -177.0(4) . . . . ?
C24 P2 C18 C23 76.4(4) . . . . ?
Co2 P2 C18 C23 -53.7(4) . . . . ?
C5 P2 C18 C19 7.5(5) . . . . ?
C24 P2 C18 C19 -99.1(5) . . . . ?
Co2 P2 C18 C19 130.8(4) . . . . ?
C23 C18 C19 C20 1.4(8) . . . . ?
P2 C18 C19 C20 176.9(4) . . . . ?
C18 C19 C20 C21 1.3(9) . . . . ?
C19 C20 C21 C22 -2.8(10) . . . . ?
C20 C21 C22 C23 1.6(9) . . . . ?
C21 C22 C23 C18 1.1(8) . . . . ?
C19 C18 C23 C22 -2.6(7) . . . . ?
P2 C18 C23 C22 -178.4(4) . . . . ?
C18 P2 C24 C29 -147.3(4) . . . . ?
C5 P2 C24 C29 101.7(4) . . . . ?
Co2 P2 C24 C29 -17.1(5) . . . . ?
C18 P2 C24 C25 34.8(4) . . . . ?
C5 P2 C24 C25 -76.2(4) . . . . ?
Co2 P2 C24 C25 165.0(3) . . . . ?
C29 C24 C25 C26 -1.5(7) . . . . ?
P2 C24 C25 C26 176.5(4) . . . . ?
C24 C25 C26 C27 2.0(8) . . . . ?
C25 C26 C27 C28 -0.7(8) . . . . ?
C26 C27 C28 C29 -1.3(8) . . . . ?
C25 C24 C29 C28 -0.5(8) . . . . ?
P2 C24 C29 C28 -178.4(4) . . . . ?
C27 C28 C29 C24 1.8(8) . . . . ?
Co2 S1 C30 C31 -2.3(4) . . . . ?
Co1 S1 C30 C31 68.5(4) . . . . ?
Co2 S1 C30 C32 172.8(3) . . . . ?
Co1 S1 C30 C32 -116.4(3) . . . . ?
C32 C30 C31 C33 -5.0(8) . . . . ?
S1 C30 C31 C33 169.4(4) . . . . ?
C32 C30 C31 S2 -177.1(4) . . . . ?
S1 C30 C31 S2 -2.7(6) . . . . ?
Co2 S2 C31 C30 5.9(5) . . . . ?
Co2 S2 C31 C33 -167.1(3) . . . . ?
C34 O5 C32 O4 -1.8(7) . . . . ?
C34 O5 C32 C30 177.1(4) . . . . ?
C31 C30 C32 O4 -172.5(5) . . . . ?
S1 C30 C32 O4 12.9(7) . . . . ?
C31 C30 C32 O5 8.5(7) . . . . ?
S1 C30 C32 O5 -166.1(3) . . . . ?
C35 O6 C33 O7 2.1(7) . . . . ?
C35 O6 C33 C31 178.8(4) . . . . ?
C30 C31 C33 O7 -96.8(6) . . . . ?
S2 C31 C33 O7 76.1(6) . . . . ?
C30 C31 C33 O6 86.4(6) . . . . ?
S2 C31 C33 O6 -100.7(4) . . . . ?
