#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:29:31 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179898 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/94/7019459.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_7019459
loop_
_publ_author_name
'Wolf, Silke'
'Feldmann, Claus'
_publ_section_title
;
 [Co{1,4-C(6)H(4)(CN)(2)}(2){NTf(2)}(2)][SnI{Co(CO)(4)}(3)](2)- a 2D
 coordination network with an intercalated carbonyl cluster.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8455
_journal_page_last               8459
_journal_paper_doi               10.1039/c2dt30411b
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C44 H8 Co7 F12 I2 N6 O32 S4 Sn2'
_chemical_formula_weight         2392.49
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                103.02(3)
_cell_angle_beta                 94.88(3)
_cell_angle_gamma                99.91(3)
_cell_formula_units_Z            1
_cell_length_a                   11.826(2)
_cell_length_b                   11.991(2)
_cell_length_c                   13.470(3)
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      58.53
_cell_measurement_theta_min      2.29
_cell_volume                     1817.9(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.942
_diffrn_measured_fraction_theta_max 0.911
_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  0.0591
_diffrn_reflns_av_sigmaI/netI    0.0912
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            17631
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.26
_diffrn_reflns_theta_min         1.56
_exptl_absorpt_coefficient_mu    3.310
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.185
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1137
_exptl_crystal_size_max          0.0950
_exptl_crystal_size_mid          0.0715
_exptl_crystal_size_min          0.0560
_refine_diff_density_max         0.911
_refine_diff_density_min         -1.265
_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.122
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     493
_refine_ls_number_reflns         9038
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.122
_refine_ls_R_factor_all          0.0925
_refine_ls_R_factor_gt           0.0448
_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)+(0.0100P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0722
_refine_ls_wR_factor_ref         0.0790
_reflns_number_gt                5098
_reflns_number_total             9038
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30411b.txt
_cod_data_source_block           p-1
_cod_original_cell_volume        1817.9(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7019459
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
Co4 Co 0.0000 0.0000 0.0000 0.0275(2) Uani 1 2 d S
S1 S 0.01657(14) 0.10500(14) 0.24740(12) 0.0437(4) Uani 1 1 d .
S2 S -0.15958(14) 0.23342(13) 0.26240(12) 0.0428(4) Uani 1 1 d .
F1 F 0.2104(4) 0.0971(5) 0.3435(4) 0.0964(17) Uani 1 1 d .
F2 F 0.2080(5) 0.2541(5) 0.3015(6) 0.132(3) Uani 1 1 d .
F3 F 0.1229(5) 0.2208(6) 0.4242(4) 0.137(3) Uani 1 1 d .
F4 F -0.2138(5) 0.3974(4) 0.3993(4) 0.0938(15) Uani 1 1 d .
F5 F -0.0517(5) 0.4427(4) 0.3525(5) 0.117(2) Uani 1 1 d .
F6 F -0.0729(5) 0.3282(5) 0.4512(4) 0.115(2) Uani 1 1 d .
O13 O 0.0624(4) 0.0583(4) 0.1548(3) 0.0530(12) Uani 1 1 d .
O14 O -0.0400(5) 0.0225(4) 0.2940(5) 0.0855(18) Uani 1 1 d .
O15 O -0.2286(4) 0.1454(4) 0.2961(4) 0.0538(12) Uani 1 1 d .
O16 O -0.2128(4) 0.2791(4) 0.1866(3) 0.0612(14) Uani 1 1 d .
N1 N 0.1695(4) 0.0048(4) -0.0260(4) 0.0354(11) Uani 1 1 d .
N2 N -0.0103(4) -0.1718(4) 0.0110(4) 0.0385(12) Uani 1 1 d .
N3 N -0.0387(4) 0.2092(4) 0.2336(4) 0.0421(12) Uani 1 1 d .
C13 C 0.2647(5) 0.0032(5) -0.0224(4) 0.0356(14) Uani 1 1 d .
C14 C 0.3865(5) 0.0007(5) -0.0133(4) 0.0353(14) Uani 1 1 d .
C15 C 0.4376(5) -0.0376(5) -0.0971(4) 0.0400(15) Uani 1 1 d .
H15 H 0.3941 -0.0624 -0.1617 0.048 Uiso 1 1 calc R
C16 C 0.4451(5) 0.0400(5) 0.0869(5) 0.0378(14) Uani 1 1 d .
H16 H 0.4077 0.0661 0.1430 0.045 Uiso 1 1 calc R
C17 C -0.0083(5) -0.2666(5) 0.0092(4) 0.0383(14) Uani 1 1 d .
C18 C -0.0042(5) -0.3856(5) 0.0046(4) 0.0357(14) Uani 1 1 d .
C19 C 0.0806(5) -0.4344(5) -0.0440(5) 0.0404(15) Uani 1 1 d .
H19 H 0.1346 -0.3897 -0.0728 0.048 Uiso 1 1 calc R
C20 C -0.0843(5) -0.4508(5) 0.0493(5) 0.0418(15) Uani 1 1 d .
H20 H -0.1402 -0.4168 0.0826 0.050 Uiso 1 1 calc R
C21 C 0.1495(8) 0.1768(8) 0.3314(7) 0.077(3) Uani 1 1 d .
C22 C -0.1198(8) 0.3579(7) 0.3693(7) 0.068(2) Uani 1 1 d .
I1 I 0.42278(4) 0.67731(4) 0.04269(3) 0.05281(13) Uani 1 1 d .
Sn1 Sn 0.43532(4) 0.67995(3) 0.24764(3) 0.03459(11) Uani 1 1 d .
Co1 Co 0.47036(7) 0.47355(7) 0.25830(6) 0.0375(2) Uani 1 1 d .
Co2 Co 0.60924(7) 0.84563(6) 0.34238(6) 0.0384(2) Uani 1 1 d .
Co3 Co 0.23465(7) 0.71973(7) 0.29944(6) 0.0399(2) Uani 1 1 d .
O1 O 0.3745(5) 0.5243(4) 0.4530(4) 0.0605(13) Uani 1 1 d .
O2 O 0.5211(5) 0.2536(4) 0.2916(4) 0.0662(14) Uani 1 1 d .
O3 O 0.3036(5) 0.3658(4) 0.0745(4) 0.0693(15) Uani 1 1 d .
O4 O 0.7074(5) 0.5533(4) 0.2238(5) 0.0788(17) Uani 1 1 d .
O5 O 0.6059(4) 0.7156(4) 0.5012(3) 0.0644(15) Uani 1 1 d .
O6 O 0.8079(4) 1.0142(4) 0.4663(4) 0.0599(13) Uani 1 1 d .
O7 O 0.4541(4) 1.0105(4) 0.3406(4) 0.0705(16) Uani 1 1 d .
O8 O 0.7318(5) 0.7931(5) 0.1630(4) 0.0743(16) Uani 1 1 d .
O9 O 0.1451(4) 0.4706(4) 0.2208(4) 0.0695(15) Uani 1 1 d .
O10 O 0.0100(5) 0.7658(6) 0.3554(5) 0.095(2) Uani 1 1 d .
O11 O 0.3572(4) 0.8021(4) 0.5082(3) 0.0635(14) Uani 1 1 d .
O12 O 0.2430(4) 0.8767(5) 0.1628(4) 0.0691(15) Uani 1 1 d .
C1 C 0.4125(6) 0.5083(5) 0.3767(5) 0.0456(17) Uani 1 1 d .
C2 C 0.5007(6) 0.3397(5) 0.2777(5) 0.0445(16) Uani 1 1 d .
C3 C 0.3678(6) 0.4098(5) 0.1451(5) 0.0494(17) Uani 1 1 d .
C4 C 0.6125(7) 0.5269(5) 0.2396(6) 0.056(2) Uani 1 1 d .
C5 C 0.6058(5) 0.7633(5) 0.4365(5) 0.0437(16) Uani 1 1 d .
C6 C 0.7303(6) 0.9507(5) 0.4157(5) 0.0457(16) Uani 1 1 d .
C7 C 0.5137(6) 0.9442(5) 0.3394(5) 0.0536(19) Uani 1 1 d .
C8 C 0.6825(7) 0.8104(6) 0.2306(6) 0.0527(18) Uani 1 1 d .
C9 C 0.1829(6) 0.5712(6) 0.2510(5) 0.0502(17) Uani 1 1 d .
C10 C 0.0973(7) 0.7510(7) 0.3356(6) 0.0588(19) Uani 1 1 d .
C11 C 0.3111(6) 0.7688(6) 0.4259(5) 0.0503(17) Uani 1 1 d .
C12 C 0.2436(5) 0.8155(5) 0.2172(5) 0.0472(17) Uani 1 1 d .
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'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 '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
N1 Co4 N1 180.0(4) . 2
N1 Co4 O13 93.17(19) . 2
N1 Co4 O13 86.83(19) 2 2
N1 Co4 O13 86.83(19) . .
N1 Co4 O13 93.17(19) 2 .
O13 Co4 O13 180.00(10) 2 .
N1 Co4 N2 91.40(19) . 2
N1 Co4 N2 88.60(19) 2 2
O13 Co4 N2 89.84(18) 2 2
O13 Co4 N2 90.16(18) . 2
N1 Co4 N2 88.60(19) . .
N1 Co4 N2 91.40(19) 2 .
O13 Co4 N2 90.16(18) 2 .
O13 Co4 N2 89.84(18) . .
N2 Co4 N2 180.0(3) 2 .
O14 S1 O13 115.5(3) . .
O14 S1 N3 120.0(3) . .
O13 S1 N3 109.3(3) . .
O14 S1 C21 106.4(5) . .
O13 S1 C21 100.4(4) . .
N3 S1 C21 102.3(3) . .
O15 S2 O16 117.3(3) . .
O15 S2 N3 115.9(3) . .
O16 S2 N3 109.5(3) . .
O15 S2 C22 107.1(4) . .
O16 S2 C22 102.5(4) . .
N3 S2 C22 102.3(3) . .
S1 O13 Co4 136.1(3) . .
C13 N1 Co4 166.9(5) . .
C17 N2 Co4 172.8(5) . .
S1 N3 S2 127.2(3) . .
N1 C13 C14 177.5(6) . .
C15 C14 C16 124.0(5) . .
C15 C14 C13 120.8(5) . .
C16 C14 C13 115.2(6) . .
C14 C15 C16 120.1(5) . 2_655
C14 C15 H15 120.0 . .
C16 C15 H15 120.0 2_655 .
C15 C16 C14 116.0(6) 2_655 .
C15 C16 H16 122.0 2_655 .
C14 C16 H16 122.0 . .
N2 C17 C18 178.4(7) . .
C19 C18 C20 120.9(5) . .
C19 C18 C17 119.3(5) . .
C20 C18 C17 119.8(6) . .
C20 C19 C18 119.5(6) 2_545 .
C20 C19 H19 120.3 2_545 .
C18 C19 H19 120.3 . .
C19 C20 C18 119.7(6) 2_545 .
C19 C20 H20 120.2 2_545 .
C18 C20 H20 120.2 . .
F2 C21 F1 110.3(9) . .
F2 C21 F3 109.5(8) . .
F1 C21 F3 105.4(7) . .
F2 C21 S1 114.1(6) . .
F1 C21 S1 108.7(6) . .
F3 C21 S1 108.5(7) . .
F5 C22 F6 109.0(7) . .
F5 C22 F4 107.0(7) . .
F6 C22 F4 104.6(7) . .
F5 C22 S2 114.6(7) . .
F6 C22 S2 110.5(6) . .
F4 C22 S2 110.6(6) . .
Co2 Sn1 Co1 112.15(3) . .
Co2 Sn1 Co3 113.39(4) . .
Co1 Sn1 Co3 113.51(4) . .
Co2 Sn1 I1 106.92(4) . .
Co1 Sn1 I1 105.20(4) . .
Co3 Sn1 I1 104.80(4) . .
C4 Co1 C2 94.1(3) . .
C4 Co1 C1 124.8(3) . .
C2 Co1 C1 93.5(3) . .
C4 Co1 C3 116.8(3) . .
C2 Co1 C3 95.9(3) . .
C1 Co1 C3 116.6(3) . .
C4 Co1 Sn1 84.7(2) . .
C2 Co1 Sn1 174.50(19) . .
C1 Co1 Sn1 82.84(19) . .
C3 Co1 Sn1 89.4(2) . .
C5 Co2 C7 120.2(3) . .
C5 Co2 C6 91.6(3) . .
C7 Co2 C6 96.6(3) . .
C5 Co2 C8 122.0(3) . .
C7 Co2 C8 116.4(3) . .
C6 Co2 C8 94.1(3) . .
C5 Co2 Sn1 82.97(17) . .
C7 Co2 Sn1 86.90(19) . .
C6 Co2 Sn1 174.55(18) . .
C8 Co2 Sn1 88.0(2) . .
C9 Co3 C12 120.7(3) . .
C9 Co3 C11 118.3(3) . .
C12 Co3 C11 119.2(3) . .
C9 Co3 C10 94.8(3) . .
C12 Co3 C10 92.8(3) . .
C11 Co3 C10 95.7(3) . .
C9 Co3 Sn1 86.5(2) . .
C12 Co3 Sn1 86.2(2) . .
C11 Co3 Sn1 83.9(2) . .
C10 Co3 Sn1 178.6(2) . .
O1 C1 Co1 176.2(5) . .
O2 C2 Co1 179.1(6) . .
O3 C3 Co1 177.5(6) . .
O4 C4 Co1 174.6(6) . .
O5 C5 Co2 176.2(5) . .
O6 C6 Co2 176.2(5) . .
O7 C7 Co2 177.6(6) . .
O8 C8 Co2 176.8(6) . .
O9 C9 Co3 177.6(7) . .
O10 C10 Co3 177.0(8) . .
O11 C11 Co3 177.6(7) . .
O12 C12 Co3 176.2(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co4 N1 2.057(5) .
Co4 N1 2.057(5) 2
Co4 O13 2.070(4) 2
Co4 O13 2.070(4) .
Co4 N2 2.082(4) 2
Co4 N2 2.082(4) .
S1 O14 1.395(5) .
S1 O13 1.438(5) .
S1 N3 1.545(5) .
S1 C21 1.812(8) .
S2 O15 1.403(4) .
S2 O16 1.414(4) .
S2 N3 1.571(6) .
S2 C22 1.788(8) .
F1 C21 1.321(9) .
F2 C21 1.223(11) .
F3 C21 1.329(10) .
F4 C22 1.340(9) .
F5 C22 1.259(9) .
F6 C22 1.339(9) .
N1 C13 1.126(7) .
N2 C17 1.136(6) .
C13 C14 1.442(8) .
C14 C15 1.353(9) .
C14 C16 1.401(7) .
C15 C16 1.388(8) 2_655
C15 H15 0.9300 .
C16 C15 1.388(8) 2_655
C16 H16 0.9300 .
C17 C18 1.423(7) .
C18 C19 1.385(9) .
C18 C20 1.387(8) .
C19 C20 1.370(7) 2_545
C19 H19 0.9300 .
C20 C19 1.370(7) 2_545
C20 H20 0.9300 .
I1 Sn1 2.7448(8) .
Sn1 Co2 2.6096(14) .
Sn1 Co1 2.6117(10) .
Sn1 Co3 2.6205(12) .
Co1 C4 1.752(8) .
Co1 C2 1.773(7) .
Co1 C1 1.781(8) .
Co1 C3 1.794(6) .
Co2 C5 1.773(6) .
Co2 C7 1.774(7) .
Co2 C6 1.786(6) .
Co2 C8 1.806(9) .
Co3 C9 1.733(7) .
Co3 C12 1.763(7) .
Co3 C11 1.781(7) .
Co3 C10 1.810(8) .
O1 C1 1.146(8) .
O2 C2 1.150(7) .
O3 C3 1.128(7) .
O4 C4 1.164(9) .
O5 C5 1.145(7) .
O6 C6 1.143(7) .
O7 C7 1.149(8) .
O8 C8 1.121(9) .
O9 C9 1.177(7) .
O10 C10 1.122(9) .
O11 C11 1.144(7) .
O12 C12 1.148(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_4
O14 S1 O13 Co4 86.2(5) . .
N3 S1 O13 Co4 -52.7(5) . .
C21 S1 O13 Co4 -159.8(5) . .
N1 Co4 O13 S1 167.2(4) . .
N1 Co4 O13 S1 -12.8(4) 2 .
O13 Co4 O13 S1 -105(63) 2 .
N2 Co4 O13 S1 75.8(4) 2 .
N2 Co4 O13 S1 -104.2(4) . .
N1 Co4 N1 C13 15(94) 2 .
O13 Co4 N1 C13 -151(2) 2 .
O13 Co4 N1 C13 29(2) . .
N2 Co4 N1 C13 120(2) 2 .
N2 Co4 N1 C13 -60(2) . .
N1 Co4 N2 C17 -35(4) . .
N1 Co4 N2 C17 145(4) 2 .
O13 Co4 N2 C17 58(4) 2 .
O13 Co4 N2 C17 -122(4) . .
N2 Co4 N2 C17 146(54) 2 .
O14 S1 N3 S2 -3.0(6) . .
O13 S1 N3 S2 133.8(4) . .
C21 S1 N3 S2 -120.4(5) . .
O15 S2 N3 S1 -5.9(5) . .
O16 S2 N3 S1 -141.5(4) . .
C22 S2 N3 S1 110.3(5) . .
Co4 N1 C13 C14 -6(16) . .
N1 C13 C14 C15 153(14) . .
N1 C13 C14 C16 -26(15) . .
C16 C14 C15 C16 0.2(10) . 2_655
C13 C14 C15 C16 -179.6(5) . 2_655
C15 C14 C16 C15 -0.2(10) . 2_655
C13 C14 C16 C15 179.6(5) . 2_655
Co4 N2 C17 C18 -7(25) . .
N2 C17 C18 C19 22(23) . .
N2 C17 C18 C20 -159(22) . .
C20 C18 C19 C20 0.9(9) . 2_545
C17 C18 C19 C20 -179.5(5) . 2_545
C19 C18 C20 C19 -0.9(9) . 2_545
C17 C18 C20 C19 179.5(5) . 2_545
O14 S1 C21 F2 -178.5(7) . .
O13 S1 C21 F2 60.8(8) . .
N3 S1 C21 F2 -51.8(8) . .
O14 S1 C21 F1 58.0(8) . .
O13 S1 C21 F1 -62.7(8) . .
N3 S1 C21 F1 -175.3(7) . .
O14 S1 C21 F3 -56.2(8) . .
O13 S1 C21 F3 -176.8(7) . .
N3 S1 C21 F3 70.6(8) . .
O15 S2 C22 F5 176.2(6) . .
O16 S2 C22 F5 -59.7(7) . .
N3 S2 C22 F5 53.8(7) . .
O15 S2 C22 F6 52.6(7) . .
O16 S2 C22 F6 176.7(6) . .
N3 S2 C22 F6 -69.8(6) . .
O15 S2 C22 F4 -62.8(7) . .
O16 S2 C22 F4 61.3(7) . .
N3 S2 C22 F4 174.8(6) . .
Co2 Sn1 Co1 C4 -39.9(2) . .
Co3 Sn1 Co1 C4 -170.0(2) . .
I1 Sn1 Co1 C4 76.0(2) . .
Co2 Sn1 Co1 C2 38(2) . .
Co3 Sn1 Co1 C2 -93(2) . .
I1 Sn1 Co1 C2 153(2) . .
Co2 Sn1 Co1 C1 86.2(2) . .
Co3 Sn1 Co1 C1 -44.0(2) . .
I1 Sn1 Co1 C1 -158.0(2) . .
Co2 Sn1 Co1 C3 -156.9(2) . .
Co3 Sn1 Co1 C3 72.9(2) . .
I1 Sn1 Co1 C3 -41.1(2) . .
Co1 Sn1 Co2 C5 -42.4(2) . .
Co3 Sn1 Co2 C5 87.8(2) . .
I1 Sn1 Co2 C5 -157.2(2) . .
Co1 Sn1 Co2 C7 -163.3(2) . .
Co3 Sn1 Co2 C7 -33.1(2) . .
I1 Sn1 Co2 C7 81.9(2) . .
Co1 Sn1 Co2 C6 -33(2) . .
Co3 Sn1 Co2 C6 97(2) . .
I1 Sn1 Co2 C6 -148(2) . .
Co1 Sn1 Co2 C8 80.2(2) . .
Co3 Sn1 Co2 C8 -149.6(2) . .
I1 Sn1 Co2 C8 -34.6(2) . .
Co2 Sn1 Co3 C9 -160.8(2) . .
Co1 Sn1 Co3 C9 -31.3(2) . .
I1 Sn1 Co3 C9 83.0(2) . .
Co2 Sn1 Co3 C12 78.1(2) . .
Co1 Sn1 Co3 C12 -152.4(2) . .
I1 Sn1 Co3 C12 -38.1(2) . .
Co2 Sn1 Co3 C11 -41.8(2) . .
Co1 Sn1 Co3 C11 87.7(2) . .
I1 Sn1 Co3 C11 -158.1(2) . .
Co2 Sn1 Co3 C10 34(9) . .
Co1 Sn1 Co3 C10 163(9) . .
I1 Sn1 Co3 C10 -82(9) . .
C4 Co1 C1 O1 -116(9) . .
C2 Co1 C1 O1 -19(9) . .
C3 Co1 C1 O1 80(9) . .
Sn1 Co1 C1 O1 165(9) . .
C4 Co1 C2 O2 75(44) . .
C1 Co1 C2 O2 -50(44) . .
C3 Co1 C2 O2 -168(44) . .
Sn1 Co1 C2 O2 -2(46) . .
C4 Co1 C3 O3 104(15) . .
C2 Co1 C3 O3 6(15) . .
C1 Co1 C3 O3 -91(15) . .
Sn1 Co1 C3 O3 -173(15) . .
C2 Co1 C4 O4 32(7) . .
C1 Co1 C4 O4 129(7) . .
C3 Co1 C4 O4 -66(7) . .
Sn1 Co1 C4 O4 -153(7) . .
C7 Co2 C5 O5 -68(10) . .
C6 Co2 C5 O5 30(10) . .
C8 Co2 C5 O5 126(10) . .
Sn1 Co2 C5 O5 -150(10) . .
C5 Co2 C6 O6 4(10) . .
C7 Co2 C6 O6 125(10) . .
C8 Co2 C6 O6 -118(10) . .
Sn1 Co2 C6 O6 -5(12) . .
C5 Co2 C7 O7 71(18) . .
C6 Co2 C7 O7 -25(18) . .
C8 Co2 C7 O7 -123(18) . .
Sn1 Co2 C7 O7 151(18) . .
C5 Co2 C8 O8 -111(13) . .
C7 Co2 C8 O8 83(13) . .
C6 Co2 C8 O8 -17(13) . .
Sn1 Co2 C8 O8 168(13) . .
C12 Co3 C9 O9 -131(14) . .
C11 Co3 C9 O9 65(14) . .
C10 Co3 C9 O9 -34(14) . .
Sn1 Co3 C9 O9 146(14) . .
C9 Co3 C10 O10 -15(15) . .
C12 Co3 C10 O10 106(15) . .
C11 Co3 C10 O10 -134(15) . .
Sn1 Co3 C10 O10 150(10) . .
C9 Co3 C11 O11 -114(15) . .
C12 Co3 C11 O11 82(15) . .
C10 Co3 C11 O11 -15(15) . .
Sn1 Co3 C11 O11 164(15) . .
C9 Co3 C12 O12 70(10) . .
C11 Co3 C12 O12 -126(10) . .
C10 Co3 C12 O12 -27(10) . .
Sn1 Co3 C12 O12 153(10) . .
