#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:32:23 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179333 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/30/4323085.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_4323085
loop_
_publ_author_name
'Yang Cao'
'Jeffrey L. Petersen'
'Alan M. Stolzenberg'
_publ_section_title
;
 Metalloradical Chemistry of Cobalt(II) Porphyrins. The Syntheses,
 Structure, and Reactivity of Triphenyltin(II)- and
 Trihalomethylcobalt(III) Octaethylporphyrin
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5173
_journal_page_last               5179
_journal_paper_doi               10.1021/ic980538u
_journal_volume                  37
_journal_year                    1998
_chemical_formula_sum            'C54 H59 Co N4 Sn'
_chemical_formula_weight         941.67
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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
_cell_angle_alpha                109.56(4)
_cell_angle_beta                 91.44(5)
_cell_angle_gamma                113.27(1)
_cell_formula_units_Z            2
_cell_length_a                   12.124(5)
_cell_length_b                   14.700(5)
_cell_length_c                   15.221(7)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      10
_cell_volume                     2309.1(18)
_computing_cell_refinement       'XSCANS 2.0 '
_computing_data_collection       'XSCANS 2.0 '
_computing_data_reduction        'XSCANS 2.0'
_computing_molecular_graphics    'SHELXTL (XP program)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       '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  0.0480
_diffrn_reflns_av_sigmaI/netI    0.0973
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            6113
_diffrn_reflns_theta_max         22.53
_diffrn_reflns_theta_min         2.14
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.940
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.354
_exptl_crystal_F_000             976
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.447
_refine_diff_density_min         -0.348
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.998
_refine_ls_goodness_of_fit_obs   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     549
_refine_ls_number_reflns         5185
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_restrained_S_obs      1.069
_refine_ls_R_factor_all          0.0982
_refine_ls_R_factor_obs          0.0476
_refine_ls_shift/esd_max         -0.002
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0310P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0983
_refine_ls_wR_factor_obs         0.0809
_reflns_number_observed          3835
_reflns_number_total             5789
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic980538u.cif
_cod_data_source_block           cooepsn2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0310P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0310P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2308.4(1.8)
_cod_database_code               4323085
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Sn Sn 0.39580(5) 0.73363(4) 0.20012(3) 0.0377(2) Uani 1 d . .
Co Co 0.40131(7) 0.88872(6) 0.33864(6) 0.0329(2) Uani 1 d . .
N1 N 0.3547(5) 0.9465(4) 0.2525(3) 0.0366(13) Uani 1 d . .
N2 N 0.2273(5) 0.8040(4) 0.3366(4) 0.0370(14) Uani 1 d . .
N3 N 0.4471(4) 0.8391(4) 0.4324(3) 0.0324(13) Uani 1 d . .
N4 N 0.5736(4) 0.9830(4) 0.3498(3) 0.0330(13) Uani 1 d . .
C1 C 0.4304(6) 1.0125(5) 0.2116(5) 0.043(2) Uani 1 d . .
C2 C 0.3628(7) 1.0283(6) 0.1425(5) 0.052(2) Uani 1 d . .
C3 C 0.2437(7) 0.9731(6) 0.1444(5) 0.052(2) Uani 1 d . .
C4 C 0.2372(6) 0.9220(5) 0.2106(5) 0.041(2) Uani 1 d . .
C5 C 0.1329(6) 0.8571(5) 0.2322(5) 0.045(2) Uani 1 d . .
H5A H 0.0595(6) 0.8515(5) 0.2055(5) 0.054 Uiso 1 calc R .
C6 C 0.1250(6) 0.8003(5) 0.2880(5) 0.043(2) Uani 1 d . .
C7 C 0.0149(6) 0.7274(6) 0.3039(5) 0.049(2) Uani 1 d . .
C8 C 0.0455(6) 0.6850(6) 0.3616(5) 0.046(2) Uani 1 d . .
C9 C 0.1788(6) 0.7338(5) 0.3826(4) 0.042(2) Uani 1 d . .
C10 C 0.2474(6) 0.7161(5) 0.4423(5) 0.042(2) Uani 1 d . .
H10A H 0.2057(6) 0.6668(5) 0.4691(5) 0.051 Uiso 1 calc R .
C11 C 0.3715(6) 0.7647(5) 0.4658(4) 0.037(2) Uani 1 d . .
C12 C 0.4400(6) 0.7476(5) 0.5325(5) 0.043(2) Uani 1 d . .
C13 C 0.5595(6) 0.8115(5) 0.5396(4) 0.042(2) Uani 1 d . .
C14 C 0.5634(6) 0.8671(5) 0.4771(4) 0.034(2) Uani 1 d . .
C15 C 0.6679(6) 0.9410(5) 0.4648(4) 0.038(2) Uani 1 d . .
H15A H 0.7411(6) 0.9560(5) 0.4999(4) 0.045 Uiso 1 calc R .
C16 C 0.6746(5) 0.9950(5) 0.4055(4) 0.034(2) Uani 1 d . .
C17 C 0.7858(6) 1.0700(5) 0.3916(4) 0.038(2) Uani 1 d . .
C18 C 0.7538(6) 1.1055(5) 0.3285(5) 0.041(2) Uani 1 d . .
C19 C 0.6232(6) 1.0504(5) 0.3015(4) 0.035(2) Uani 1 d . .
C20 C 0.5559(6) 1.0605(5) 0.2344(5) 0.045(2) Uani 1 d . .
H20A H 0.5984(6) 1.1029(5) 0.2018(5) 0.054 Uiso 1 calc R .
C21 C 0.4162(7) 1.0930(6) 0.0825(6) 0.067(2) Uani 1 d . .
H21A H 0.4858(7) 1.0812(6) 0.0609(6) 0.080 Uiso 1 calc R .
H21B H 0.3556(7) 1.0693(6) 0.0271(6) 0.080 Uiso 1 calc R .
C22 C 0.4558(8) 1.2099(8) 0.1372(6) 0.099(3) Uani 1 d . .
H22A H 0.4826(46) 1.2482(9) 0.0959(11) 0.119 Uiso 1 calc R .
H22B H 0.5218(33) 1.2352(12) 0.1882(23) 0.119 Uiso 1 calc R .
H22C H 0.3885(15) 1.2211(9) 0.1624(32) 0.119 Uiso 1 calc R .
C23 C 0.1321(7) 0.9618(7) 0.0846(6) 0.073(2) Uani 1 d . .
H23A H 0.1477(7) 0.9569(7) 0.0214(6) 0.087 Uiso 1 calc R .
H23B H 0.0620(7) 0.8969(7) 0.0791(6) 0.087 Uiso 1 calc R .
C24 C 0.1057(8) 1.0555(9) 0.1299(7) 0.117(4) Uani 1 d . .
H24A H 0.0297(28) 1.0438(22) 0.0970(27) 0.140 Uiso 1 calc R .
H24B H 0.1701(28) 1.1182(12) 0.1269(38) 0.140 Uiso 1 calc R .
H24C H 0.1002(54) 1.0653(30) 0.1949(14) 0.140 Uiso 1 calc R .
C25 C -0.1128(6) 0.7051(6) 0.2650(6) 0.066(2) Uani 1 d . .
H25A H -0.1593(6) 0.7080(6) 0.3160(6) 0.079 Uiso 1 calc R .
H25B H -0.1084(6) 0.7611(6) 0.2432(6) 0.079 Uiso 1 calc R .
C26 C -0.1797(8) 0.5995(7) 0.1852(7) 0.112(4) Uani 1 d . .
H26A H -0.2614(18) 0.5891(21) 0.1669(28) 0.134 Uiso 1 calc R .
H26B H -0.1822(46) 0.5435(8) 0.2053(14) 0.134 Uiso 1 calc R .
H26C H -0.1383(30) 0.5981(18) 0.1321(16) 0.134 Uiso 1 calc R .
C27 C -0.0338(7) 0.6078(6) 0.4033(6) 0.062(2) Uani 1 d . .
H27A H 0.0008(7) 0.6330(6) 0.4698(6) 0.074 Uiso 1 calc R .
H27B H -0.1142(7) 0.6069(6) 0.3998(6) 0.074 Uiso 1 calc R .
C28 C -0.0469(7) 0.4961(6) 0.3547(6) 0.086(3) Uani 1 d . .
H28A H -0.0940(38) 0.4521(11) 0.3870(21) 0.103 Uiso 1 calc R .
H28B H 0.0325(8) 0.4964(8) 0.3557(31) 0.103 Uiso 1 calc R .
H28C H -0.0876(40) 0.4682(15) 0.2902(11) 0.103 Uiso 1 calc R .
C29 C 0.3870(6) 0.6737(5) 0.5840(5) 0.054(2) Uani 1 d . .
H29A H 0.4454(6) 0.6969(5) 0.6406(5) 0.065 Uiso 1 calc R .
H29B H 0.3142(6) 0.6799(5) 0.6042(5) 0.065 Uiso 1 calc R .
C30 C 0.3545(7) 0.5592(6) 0.5278(6) 0.080(3) Uani 1 d . .
H30A H 0.3202(39) 0.5175(8) 0.5654(13) 0.096 Uiso 1 calc R .
H30B H 0.4266(10) 0.5513(8) 0.5098(28) 0.096 Uiso 1 calc R .
H30C H 0.2959(32) 0.5348(11) 0.4719(17) 0.096 Uiso 1 calc R .
C31 C 0.6702(6) 0.8216(6) 0.5965(5) 0.054(2) Uani 1 d . .
H31A H 0.6476(6) 0.8051(6) 0.6518(5) 0.065 Uiso 1 calc R .
H31B H 0.7317(6) 0.8950(6) 0.6184(5) 0.065 Uiso 1 calc R .
C32 C 0.7242(7) 0.7480(7) 0.5398(6) 0.085(3) Uani 1 d . .
H32A H 0.7930(28) 0.7560(29) 0.5793(11) 0.102 Uiso 1 calc R .
H32B H 0.7503(40) 0.7663(26) 0.4865(20) 0.102 Uiso 1 calc R .
H32C H 0.6636(15) 0.6753(7) 0.5177(29) 0.102 Uiso 1 calc R .
C33 C 0.9110(6) 1.0944(5) 0.4367(5) 0.050(2) Uani 1 d . .
H33A H 0.9103(6) 1.1003(5) 0.5021(5) 0.060 Uiso 1 calc R .
H33B H 0.9684(6) 1.1629(5) 0.4370(5) 0.060 Uiso 1 calc R .
C34 C 0.9551(7) 1.0101(6) 0.3862(5) 0.069(2) Uani 1 d . .
H34A H 1.0361(16) 1.0310(18) 0.4169(19) 0.083 Uiso 1 calc R .
H34B H 0.9556(38) 1.0034(25) 0.3213(10) 0.083 Uiso 1 calc R .
H34C H 0.9012(23) 0.9428(10) 0.3885(27) 0.083 Uiso 1 calc R .
C35 C 0.8363(7) 1.1880(6) 0.2914(5) 0.063(2) Uani 1 d . .
H35A H 0.7933(7) 1.2270(6) 0.2790(5) 0.075 Uiso 1 calc R .
H35B H 0.9081(7) 1.2387(6) 0.3397(5) 0.075 Uiso 1 calc R .
C36 C 0.8750(9) 1.1387(8) 0.2038(7) 0.117(4) Uani 1 d . .
H36A H 0.9311(43) 1.1936(8) 0.1854(25) 0.141 Uiso 1 calc R .
H36B H 0.8048(11) 1.0932(38) 0.1542(14) 0.141 Uiso 1 calc R .
H36C H 0.9141(50) 1.0971(40) 0.2149(14) 0.141 Uiso 1 calc R .
C37 C 0.5543(6) 0.7448(5) 0.1334(4) 0.043(2) Uani 1 d . .
C38 C 0.6697(7) 0.8278(6) 0.1628(5) 0.061(2) Uani 1 d . .
H38A H 0.6855(7) 0.8872(6) 0.2174(5) 0.073 Uiso 1 calc R .
C39 C 0.7624(7) 0.8243(7) 0.1128(6) 0.080(3) Uani 1 d . .
H39A H 0.8393(7) 0.8816(7) 0.1336(6) 0.096 Uiso 1 calc R .
C40 C 0.7417(8) 0.7367(7) 0.0327(6) 0.067(2) Uani 1 d . .
H40A H 0.8042(8) 0.7344(7) -0.0009(6) 0.081 Uiso 1 calc R .
C41 C 0.6282(8) 0.6529(7) 0.0027(6) 0.070(2) Uani 1 d . .
H41A H 0.6136(8) 0.5933(7) -0.0515(6) 0.084 Uiso 1 calc R .
C42 C 0.5361(7) 0.6563(6) 0.0522(5) 0.061(2) Uani 1 d . .
H42A H 0.4597(7) 0.5984(6) 0.0312(5) 0.073 Uiso 1 calc R .
C43 C 0.3581(6) 0.5939(5) 0.2328(4) 0.042(2) Uani 1 d . .
C44 C 0.4554(8) 0.5795(6) 0.2636(6) 0.073(2) Uani 1 d . .
H44A H 0.5344(8) 0.6317(6) 0.2730(6) 0.088 Uiso 1 calc R .
C45 C 0.4372(10) 0.4876(9) 0.2812(6) 0.088(3) Uani 1 d . .
H45A H 0.5040(10) 0.4792(9) 0.3020(6) 0.106 Uiso 1 calc R .
C46 C 0.3226(11) 0.4107(8) 0.2679(6) 0.085(3) Uani 1 d . .
H46A H 0.3113(11) 0.3493(8) 0.2789(6) 0.102 Uiso 1 calc R .
C47 C 0.2254(9) 0.4228(7) 0.2390(7) 0.087(3) Uani 1 d . .
H47A H 0.1467(9) 0.3707(7) 0.2307(7) 0.104 Uiso 1 calc R .
C48 C 0.2442(7) 0.5142(6) 0.2218(5) 0.066(2) Uani 1 d . .
H48A H 0.1764(7) 0.5218(6) 0.2018(5) 0.079 Uiso 1 calc R .
C49 C 0.2621(6) 0.6990(5) 0.0829(5) 0.046(2) Uani 1 d . .
C50 C 0.1374(7) 0.6446(5) 0.0739(5) 0.054(2) Uani 1 d . .
H50A H 0.1064(7) 0.6161(5) 0.1188(5) 0.065 Uiso 1 calc R .
C51 C 0.0575(7) 0.6316(6) -0.0007(6) 0.070(2) Uani 1 d . .
H51A H -0.0263(7) 0.5958(6) -0.0050(6) 0.084 Uiso 1 calc R .
C52 C 0.1020(9) 0.6715(7) -0.0679(6) 0.079(3) Uani 1 d . .
H52A H 0.0485(9) 0.6607(7) -0.1192(6) 0.095 Uiso 1 calc R .
C53 C 0.2265(9) 0.7281(8) -0.0600(6) 0.086(3) Uani 1 d . .
H53A H 0.2571(9) 0.7577(8) -0.1044(6) 0.103 Uiso 1 calc R .
C54 C 0.3044(7) 0.7397(6) 0.0144(5) 0.063(2) Uani 1 d . .
H54A H 0.3881(7) 0.7761(6) 0.0188(5) 0.075 Uiso 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'
N N 0.0061 0.0033 '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'
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
_geom_angle_publ_flag
C43 Sn C49 110.8(3) . . ?
C43 Sn C37 101.0(2) . . ?
C49 Sn C37 101.4(3) . . ?
C43 Sn Co 113.0(2) . . ?
C49 Sn Co 108.8(2) . . ?
C37 Sn Co 121.1(2) . . ?
N1 Co N4 89.8(2) . . ?
N1 Co N3 175.9(2) . . ?
N4 Co N3 90.1(2) . . ?
N1 Co N2 90.1(2) . . ?
N4 Co N2 175.1(2) . . ?
N3 Co N2 89.7(2) . . ?
N1 Co Sn 90.62(15) . . ?
N4 Co Sn 96.06(15) . . ?
N3 Co Sn 93.43(14) . . ?
N2 Co Sn 88.85(15) . . ?
C1 N1 C4 103.7(5) . . ?
C1 N1 Co 127.8(4) . . ?
C4 N1 Co 128.2(4) . . ?
C9 N2 C6 104.4(5) . . ?
C9 N2 Co 127.6(4) . . ?
C6 N2 Co 128.0(5) . . ?
C11 N3 C14 104.0(5) . . ?
C11 N3 Co 127.9(4) . . ?
C14 N3 Co 128.0(4) . . ?
C19 N4 C16 103.8(5) . . ?
C19 N4 Co 128.1(4) . . ?
C16 N4 Co 128.1(4) . . ?
C20 C1 N1 124.5(6) . . ?
C20 C1 C2 123.1(6) . . ?
N1 C1 C2 112.4(6) . . ?
C3 C2 C1 104.9(6) . . ?
C3 C2 C21 128.6(6) . . ?
C1 C2 C21 126.5(7) . . ?
C2 C3 C4 108.6(6) . . ?
C2 C3 C23 127.2(7) . . ?
C4 C3 C23 124.2(7) . . ?
C5 C4 N1 122.8(6) . . ?
C5 C4 C3 126.8(6) . . ?
N1 C4 C3 110.3(6) . . ?
C6 C5 C4 127.4(6) . . ?
C5 C6 N2 123.2(6) . . ?
C5 C6 C7 126.3(7) . . ?
N2 C6 C7 110.5(6) . . ?
C8 C7 C6 108.3(6) . . ?
C8 C7 C25 126.3(7) . . ?
C6 C7 C25 125.4(7) . . ?
C7 C8 C9 106.0(6) . . ?
C7 C8 C27 130.4(7) . . ?
C9 C8 C27 123.6(7) . . ?
C10 C9 N2 124.2(6) . . ?
C10 C9 C8 124.9(7) . . ?
N2 C9 C8 110.9(6) . . ?
C11 C10 C9 125.4(6) . . ?
C10 C11 N3 124.9(6) . . ?
C10 C11 C12 123.7(6) . . ?
N3 C11 C12 111.4(6) . . ?
C13 C12 C11 106.7(6) . . ?
C13 C12 C29 127.6(6) . . ?
C11 C12 C29 125.7(6) . . ?
C12 C13 C14 106.5(6) . . ?
C12 C13 C31 128.8(6) . . ?
C14 C13 C31 124.7(6) . . ?
C15 C14 N3 123.8(6) . . ?
C15 C14 C13 124.7(6) . . ?
N3 C14 C13 111.4(6) . . ?
C16 C15 C14 126.1(6) . . ?
C15 C16 N4 123.8(6) . . ?
C15 C16 C17 125.2(6) . . ?
N4 C16 C17 111.0(5) . . ?
C18 C17 C16 107.0(6) . . ?
C18 C17 C33 129.2(6) . . ?
C16 C17 C33 123.7(6) . . ?
C17 C18 C19 106.7(6) . . ?
C17 C18 C35 128.3(6) . . ?
C19 C18 C35 125.0(6) . . ?
C20 C19 N4 124.1(6) . . ?
C20 C19 C18 124.5(6) . . ?
N4 C19 C18 111.4(5) . . ?
C19 C20 C1 124.9(6) . . ?
C22 C21 C2 111.3(7) . . ?
C24 C23 C3 109.7(7) . . ?
C26 C25 C7 114.3(7) . . ?
C28 C27 C8 113.6(6) . . ?
C30 C29 C12 114.9(6) . . ?
C13 C31 C32 112.5(6) . . ?
C17 C33 C34 113.3(6) . . ?
C36 C35 C18 112.2(7) . . ?
C38 C37 C42 117.1(6) . . ?
C38 C37 Sn 127.5(5) . . ?
C42 C37 Sn 115.3(5) . . ?
C37 C38 C39 121.3(7) . . ?
C40 C39 C38 120.3(8) . . ?
C41 C40 C39 119.4(8) . . ?
C40 C41 C42 120.3(8) . . ?
C41 C42 C37 121.5(7) . . ?
C48 C43 C44 116.2(7) . . ?
C48 C43 Sn 125.6(5) . . ?
C44 C43 Sn 118.1(5) . . ?
C43 C44 C45 120.9(8) . . ?
C46 C45 C44 120.4(9) . . ?
C47 C46 C45 120.3(9) . . ?
C46 C47 C48 119.0(9) . . ?
C43 C48 C47 123.3(8) . . ?
C50 C49 C54 117.5(7) . . ?
C50 C49 Sn 125.0(5) . . ?
C54 C49 Sn 117.3(5) . . ?
C49 C50 C51 121.3(7) . . ?
C52 C51 C50 119.9(8) . . ?
C51 C52 C53 120.2(8) . . ?
C54 C53 C52 119.0(8) . . ?
C53 C54 C49 122.1(8) . . ?
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
Sn C43 2.151(7) . ?
Sn C49 2.160(7) . ?
Sn C37 2.171(7) . ?
Sn Co 2.510(2) . ?
Co N1 1.962(5) . ?
Co N4 1.962(5) . ?
Co N3 1.963(5) . ?
Co N2 1.975(5) . ?
N1 C1 1.378(8) . ?
N1 C4 1.401(8) . ?
N2 C9 1.388(8) . ?
N2 C6 1.401(8) . ?
N3 C11 1.377(7) . ?
N3 C14 1.387(7) . ?
N4 C19 1.387(7) . ?
N4 C16 1.388(7) . ?
C1 C20 1.377(8) . ?
C1 C2 1.451(9) . ?
C2 C3 1.355(9) . ?
C2 C21 1.510(9) . ?
C3 C4 1.431(9) . ?
C3 C23 1.532(9) . ?
C4 C5 1.377(9) . ?
C5 C6 1.358(9) . ?
C6 C7 1.431(9) . ?
C7 C8 1.354(9) . ?
C7 C25 1.509(9) . ?
C8 C9 1.460(9) . ?
C8 C27 1.506(9) . ?
C9 C10 1.369(9) . ?
C10 C11 1.362(8) . ?
C11 C12 1.442(8) . ?
C12 C13 1.357(8) . ?
C12 C29 1.500(9) . ?
C13 C14 1.438(8) . ?
C13 C31 1.507(8) . ?
C14 C15 1.372(8) . ?
C15 C16 1.372(8) . ?
C16 C17 1.440(8) . ?
C17 C18 1.350(8) . ?
C17 C33 1.503(8) . ?
C18 C19 1.436(8) . ?
C18 C35 1.523(9) . ?
C19 C20 1.374(8) . ?
C21 C22 1.499(10) . ?
C23 C24 1.482(11) . ?
C25 C26 1.496(10) . ?
C27 C28 1.498(9) . ?
C29 C30 1.488(9) . ?
C31 C32 1.519(9) . ?
C33 C34 1.522(9) . ?
C35 C36 1.474(10) . ?
C37 C38 1.378(9) . ?
C37 C42 1.397(9) . ?
C38 C39 1.380(10) . ?
C39 C40 1.374(10) . ?
C40 C41 1.368(10) . ?
C41 C42 1.371(10) . ?
C43 C48 1.373(9) . ?
C43 C44 1.376(9) . ?
C44 C45 1.398(11) . ?
C45 C46 1.358(11) . ?
C46 C47 1.344(12) . ?
C47 C48 1.386(10) . ?
C49 C50 1.381(9) . ?
C49 C54 1.382(9) . ?
C50 C51 1.385(9) . ?
C51 C52 1.364(10) . ?
C52 C53 1.385(11) . ?
C53 C54 1.376(10) . ?
