#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:29:17 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179113 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/75/4307508.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_4307508
loop_
_publ_author_name
'Martin Bröring'
'Serguei Prikhodovski'
'Carsten D. Brandt'
'Esther Cónsul Tejero'
'Silke Köhler'
'Clemens Pietzonka'
_publ_section_title
;
Cyanide-Promoted Demetalation of TrpyNiNCO: A Route to Sensitive
Metallotripyrrins of CoII, FeII, and MnII
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              917
_journal_page_last               925
_journal_paper_doi               10.1021/ic062009t
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C28 H38 Co I N3'
_chemical_formula_weight         602.44
_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     Patterson
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                110.4840(10)
_cell_angle_beta                 95.6760(10)
_cell_angle_gamma                102.8990(10)
_cell_formula_units_Z            2
_cell_length_a                   10.5956(9)
_cell_length_b                   11.6384(10)
_cell_length_c                   12.4709(10)
_cell_measurement_reflns_used    6435
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.122
_cell_measurement_theta_min      2.379
_cell_volume                     1377.6(2)
_computing_cell_refinement       'SAINT-NT V6.0'
_computing_data_collection       'SMART-NT V5.6'
_computing_data_reduction        'SAINT-NT V6.0'
_computing_molecular_graphics    'Mercury 1.3'
_computing_publication_material  'WinGx-Version 1.70.00'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker Smart Apex with D8-Goniometer'
_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  0.0219
_diffrn_reflns_av_sigmaI/netI    0.0179
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            22367
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.94
_exptl_absorpt_coefficient_mu    1.763
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   'SADABS2.0 (Sheldrick 2000)'
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.452
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             614
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.910
_refine_diff_density_min         -0.304
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     306
_refine_ls_number_reflns         5627
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0287
_refine_ls_R_factor_gt           0.0271
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0300P)²+1.0232P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0639
_refine_ls_wR_factor_ref         0.0647
_reflns_number_gt                5354
_reflns_number_total             5627
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic062009tsi20061019_115859_1.cif
_cod_data_source_block           cb29cb
_cod_database_code               4307508
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.8521(2) 0.6163(2) 0.6283(2) 0.0334(5) Uani 1 1 d . . .
H1A H 0.8045 0.5640 0.5482 0.050 Uiso 1 1 calc R . .
H1B H 0.7963 0.6023 0.6832 0.050 Uiso 1 1 calc R . .
H1C H 0.9333 0.5923 0.6424 0.050 Uiso 1 1 calc R . .
C2 C 0.8861(2) 0.7541(2) 0.64525(19) 0.0256(4) Uani 1 1 d . . .
C3 C 0.9732(2) 0.8592(2) 0.74421(19) 0.0262(4) Uani 1 1 d . . .
C4 C 0.9801(2) 0.9669(2) 0.72096(18) 0.0251(4) Uani 1 1 d . . .
C5 C 0.8934(2) 0.9273(2) 0.60907(18) 0.0228(4) Uani 1 1 d . . .
C6 C 0.8646(2) 1.00614(19) 0.55536(18) 0.0227(4) Uani 1 1 d . . .
H6 H 0.9138 1.0934 0.5912 0.027 Uiso 1 1 calc R . .
C7 C 0.7700(2) 0.97198(19) 0.45268(18) 0.0220(4) Uani 1 1 d . . .
C8 C 0.7192(2) 1.0556(2) 0.40983(18) 0.0226(4) Uani 1 1 d . . .
C9 C 0.6180(2) 0.9777(2) 0.31566(18) 0.0230(4) Uani 1 1 d . . .
C10 C 0.6104(2) 0.8488(2) 0.30243(18) 0.0221(4) Uani 1 1 d . . .
C11 C 0.5181(2) 0.7348(2) 0.22257(18) 0.0236(4) Uani 1 1 d . . .
H11 H 0.4654 0.7427 0.1607 0.028 Uiso 1 1 calc R . .
C12 C 0.4957(2) 0.6144(2) 0.22372(18) 0.0240(4) Uani 1 1 d . . .
C13 C 0.3976(2) 0.5001(2) 0.14167(19) 0.0251(4) Uani 1 1 d . . .
C14 C 0.4037(2) 0.4043(2) 0.18012(19) 0.0265(4) Uani 1 1 d . . .
C15 C 0.5057(2) 0.4590(2) 0.2832(2) 0.0265(4) Uani 1 1 d . . .
C16 C 0.5499(3) 0.3906(2) 0.3550(2) 0.0374(6) Uani 1 1 d . . .
H16A H 0.6202 0.3547 0.3241 0.056 Uiso 1 1 calc R . .
H16B H 0.4752 0.3216 0.3518 0.056 Uiso 1 1 calc R . .
H16C H 0.5833 0.4507 0.4360 0.056 Uiso 1 1 calc R . .
C17 C 1.0404(2) 0.8484(2) 0.85126(19) 0.0304(5) Uani 1 1 d . . .
H17A H 0.9821 0.7790 0.8666 0.037 Uiso 1 1 calc R . .
H17B H 1.0527 0.9290 0.9191 0.037 Uiso 1 1 calc R . .
C18 C 1.1741(2) 0.8217(3) 0.8406(2) 0.0372(6) Uani 1 1 d . . .
H18A H 1.1622 0.7394 0.7767 0.056 Uiso 1 1 calc R . .
H18B H 1.2138 0.8191 0.9138 0.056 Uiso 1 1 calc R . .
H18C H 1.2322 0.8894 0.8244 0.056 Uiso 1 1 calc R . .
C19 C 1.0551(2) 1.1020(2) 0.7974(2) 0.0304(5) Uani 1 1 d . . .
H19A H 1.0979 1.1444 0.7488 0.036 Uiso 1 1 calc R . .
H19B H 1.1254 1.1013 0.8554 0.036 Uiso 1 1 calc R . .
C20 C 0.9666(3) 1.1791(2) 0.8614(2) 0.0367(5) Uani 1 1 d . . .
H20A H 0.9018 1.1869 0.8045 0.055 Uiso 1 1 calc R . .
H20B H 1.0209 1.2643 0.9141 0.055 Uiso 1 1 calc R . .
H20C H 0.9206 1.1355 0.9068 0.055 Uiso 1 1 calc R . .
C21 C 0.7642(2) 1.1991(2) 0.46402(19) 0.0274(5) Uani 1 1 d . . .
H21A H 0.7434 1.2331 0.4039 0.033 Uiso 1 1 calc R . .
H21B H 0.8612 1.2271 0.4907 0.033 Uiso 1 1 calc R . .
C22 C 0.6999(3) 1.2554(2) 0.5673(2) 0.0400(6) Uani 1 1 d . . .
H22A H 0.6037 1.2266 0.5420 0.060 Uiso 1 1 calc R . .
H22B H 0.7295 1.3488 0.5966 0.060 Uiso 1 1 calc R . .
H22C H 0.7251 1.2270 0.6294 0.060 Uiso 1 1 calc R . .
C23 C 0.5243(2) 1.0178(2) 0.2462(2) 0.0263(4) Uani 1 1 d . . .
H23A H 0.5024 0.9568 0.1640 0.032 Uiso 1 1 calc R . .
H23B H 0.5686 1.1030 0.2480 0.032 Uiso 1 1 calc R . .
C24 C 0.3967(2) 1.0232(3) 0.2927(3) 0.0406(6) Uani 1 1 d . . .
H24A H 0.3503 0.9382 0.2880 0.061 Uiso 1 1 calc R . .
H24B H 0.3403 1.0513 0.2457 0.061 Uiso 1 1 calc R . .
H24C H 0.4176 1.0835 0.3741 0.061 Uiso 1 1 calc R . .
C25 C 0.3062(2) 0.4938(2) 0.0386(2) 0.0305(5) Uani 1 1 d . . .
H25A H 0.2758 0.4047 -0.0190 0.037 Uiso 1 1 calc R . .
H25B H 0.3551 0.5470 0.0009 0.037 Uiso 1 1 calc R . .
C26 C 0.1863(3) 0.5398(3) 0.0723(2) 0.0487(7) Uani 1 1 d . . .
H26A H 0.1372 0.4872 0.1092 0.073 Uiso 1 1 calc R . .
H26B H 0.1291 0.5327 0.0022 0.073 Uiso 1 1 calc R . .
H26C H 0.2156 0.6291 0.1272 0.073 Uiso 1 1 calc R . .
C27 C 0.3237(2) 0.2660(2) 0.1259(2) 0.0320(5) Uani 1 1 d . . .
H27A H 0.2392 0.2592 0.0791 0.038 Uiso 1 1 calc R . .
H27B H 0.3029 0.2356 0.1887 0.038 Uiso 1 1 calc R . .
C28 C 0.3962(3) 0.1800(2) 0.0474(2) 0.0440(6) Uani 1 1 d . . .
H28A H 0.4114 0.2058 -0.0181 0.066 Uiso 1 1 calc R . .
H28B H 0.3424 0.0910 0.0176 0.066 Uiso 1 1 calc R . .
H28C H 0.4811 0.1882 0.0927 0.066 Uiso 1 1 calc R . .
Co1 Co 0.73965(3) 0.69509(3) 0.40130(2) 0.02136(7) Uani 1 1 d . . .
I1 I 0.897901(15) 0.577819(14) 0.291433(14) 0.03466(6) Uani 1 1 d . . .
N1 N 0.83711(17) 0.79325(17) 0.56577(15) 0.0241(4) Uani 1 1 d . . .
N2 N 0.70359(17) 0.84750(16) 0.38564(15) 0.0228(4) Uani 1 1 d . . .
N3 N 0.56074(17) 0.58276(16) 0.30992(16) 0.0245(4) 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'
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'
I I -0.4742 1.8119 '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
N1 C2 C3 111.84(19) . . ?
N1 C2 C1 121.8(2) . . ?
C3 C2 C1 126.33(19) . . ?
C4 C3 C2 106.57(19) . . ?
C4 C3 C17 128.2(2) . . ?
C2 C3 C17 125.3(2) . . ?
C3 C4 C5 106.77(19) . . ?
C3 C4 C19 127.9(2) . . ?
C5 C4 C19 125.29(19) . . ?
C6 C5 N1 124.96(19) . . ?
C6 C5 C4 126.37(19) . . ?
N1 C5 C4 108.60(17) . . ?
C5 C6 C7 127.49(19) . . ?
N2 C7 C6 121.93(18) . . ?
N2 C7 C8 110.04(18) . . ?
C6 C7 C8 127.73(19) . . ?
C9 C8 C7 106.28(18) . . ?
C9 C8 C21 128.32(19) . . ?
C7 C8 C21 125.30(19) . . ?
C8 C9 C10 106.60(18) . . ?
C8 C9 C23 127.77(19) . . ?
C10 C9 C23 125.40(19) . . ?
N2 C10 C11 121.62(18) . . ?
N2 C10 C9 110.02(18) . . ?
C11 C10 C9 128.24(19) . . ?
C12 C11 C10 127.94(19) . . ?
C11 C12 N3 124.98(19) . . ?
C11 C12 C13 126.33(19) . . ?
N3 C12 C13 108.61(18) . . ?
C14 C13 C12 106.49(19) . . ?
C14 C13 C25 128.2(2) . . ?
C12 C13 C25 125.2(2) . . ?
C13 C14 C15 106.86(19) . . ?
C13 C14 C27 128.1(2) . . ?
C15 C14 C27 125.0(2) . . ?
N3 C15 C14 111.81(19) . . ?
N3 C15 C16 121.7(2) . . ?
C14 C15 C16 126.5(2) . . ?
C3 C17 C18 113.59(19) . . ?
C4 C19 C20 112.65(19) . . ?
C8 C21 C22 113.09(19) . . ?
C9 C23 C24 112.75(19) . . ?
C13 C25 C26 112.5(2) . . ?
C14 C27 C28 112.5(2) . . ?
N2 Co1 N1 92.60(7) . . ?
N2 Co1 N3 92.83(7) . . ?
N1 Co1 N3 140.85(8) . . ?
N2 Co1 I1 123.85(5) . . ?
N1 Co1 I1 105.95(5) . . ?
N3 Co1 I1 102.89(5) . . ?
C2 N1 C5 106.18(17) . . ?
C2 N1 Co1 130.91(15) . . ?
C5 N1 Co1 121.52(13) . . ?
C10 N2 C7 107.05(17) . . ?
C10 N2 Co1 126.19(14) . . ?
C7 N2 Co1 126.72(14) . . ?
C15 N3 C12 106.22(17) . . ?
C15 N3 Co1 130.41(15) . . ?
C12 N3 Co1 119.04(14) . . ?
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
C1 C2 1.495(3) . ?
C2 N1 1.334(3) . ?
C2 C3 1.444(3) . ?
C3 C4 1.371(3) . ?
C3 C17 1.508(3) . ?
C4 C5 1.453(3) . ?
C4 C19 1.502(3) . ?
C5 C6 1.377(3) . ?
C5 N1 1.419(3) . ?
C6 C7 1.420(3) . ?
C7 N2 1.369(3) . ?
C7 C8 1.436(3) . ?
C8 C9 1.387(3) . ?
C8 C21 1.505(3) . ?
C9 C10 1.434(3) . ?
C9 C23 1.507(3) . ?
C10 N2 1.366(3) . ?
C10 C11 1.418(3) . ?
C11 C12 1.373(3) . ?
C12 N3 1.418(3) . ?
C12 C13 1.454(3) . ?
C13 C14 1.370(3) . ?
C13 C25 1.501(3) . ?
C14 C15 1.439(3) . ?
C14 C27 1.511(3) . ?
C15 N3 1.333(3) . ?
C15 C16 1.495(3) . ?
C17 C18 1.525(3) . ?
C19 C20 1.531(3) . ?
C21 C22 1.528(3) . ?
C23 C24 1.528(3) . ?
C25 C26 1.526(3) . ?
C27 C28 1.535(4) . ?
Co1 N2 1.9648(17) . ?
Co1 N1 1.9982(18) . ?
Co1 N3 2.0062(18) . ?
Co1 I1 2.5921(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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C2 C3 C4 -2.0(3) . . . . ?
C1 C2 C3 C4 177.4(2) . . . . ?
N1 C2 C3 C17 177.4(2) . . . . ?
C1 C2 C3 C17 -3.2(4) . . . . ?
C2 C3 C4 C5 1.8(2) . . . . ?
C17 C3 C4 C5 -177.6(2) . . . . ?
C2 C3 C4 C19 178.4(2) . . . . ?
C17 C3 C4 C19 -1.0(4) . . . . ?
C3 C4 C5 C6 176.0(2) . . . . ?
C19 C4 C5 C6 -0.7(3) . . . . ?
C3 C4 C5 N1 -1.1(2) . . . . ?
C19 C4 C5 N1 -177.8(2) . . . . ?
N1 C5 C6 C7 4.0(3) . . . . ?
C4 C5 C6 C7 -172.7(2) . . . . ?
C5 C6 C7 N2 -7.5(3) . . . . ?
C5 C6 C7 C8 165.5(2) . . . . ?
N2 C7 C8 C9 1.1(2) . . . . ?
C6 C7 C8 C9 -172.7(2) . . . . ?
N2 C7 C8 C21 177.51(19) . . . . ?
C6 C7 C8 C21 3.8(3) . . . . ?
C7 C8 C9 C10 -0.7(2) . . . . ?
C21 C8 C9 C10 -177.0(2) . . . . ?
C7 C8 C9 C23 174.1(2) . . . . ?
C21 C8 C9 C23 -2.3(4) . . . . ?
C8 C9 C10 N2 0.1(2) . . . . ?
C23 C9 C10 N2 -174.80(19) . . . . ?
C8 C9 C10 C11 176.2(2) . . . . ?
C23 C9 C10 C11 1.3(4) . . . . ?
N2 C10 C11 C12 8.8(3) . . . . ?
C9 C10 C11 C12 -166.9(2) . . . . ?
C10 C11 C12 N3 1.9(4) . . . . ?
C10 C11 C12 C13 178.4(2) . . . . ?
C11 C12 C13 C14 -176.0(2) . . . . ?
N3 C12 C13 C14 1.0(2) . . . . ?
C11 C12 C13 C25 1.9(4) . . . . ?
N3 C12 C13 C25 178.9(2) . . . . ?
C12 C13 C14 C15 -0.9(2) . . . . ?
C25 C13 C14 C15 -178.8(2) . . . . ?
C12 C13 C14 C27 -179.4(2) . . . . ?
C25 C13 C14 C27 2.7(4) . . . . ?
C13 C14 C15 N3 0.6(3) . . . . ?
C27 C14 C15 N3 179.1(2) . . . . ?
C13 C14 C15 C16 -179.0(2) . . . . ?
C27 C14 C15 C16 -0.4(4) . . . . ?
C4 C3 C17 C18 -92.0(3) . . . . ?
C2 C3 C17 C18 88.7(3) . . . . ?
C3 C4 C19 C20 -100.7(3) . . . . ?
C5 C4 C19 C20 75.3(3) . . . . ?
C9 C8 C21 C22 94.0(3) . . . . ?
C7 C8 C21 C22 -81.7(3) . . . . ?
C8 C9 C23 C24 -92.5(3) . . . . ?
C10 C9 C23 C24 81.3(3) . . . . ?
C14 C13 C25 C26 96.6(3) . . . . ?
C12 C13 C25 C26 -80.9(3) . . . . ?
C13 C14 C27 C28 96.0(3) . . . . ?
C15 C14 C27 C28 -82.2(3) . . . . ?
C3 C2 N1 C5 1.3(2) . . . . ?
C1 C2 N1 C5 -178.2(2) . . . . ?
C3 C2 N1 Co1 167.62(15) . . . . ?
C1 C2 N1 Co1 -11.8(3) . . . . ?
C6 C5 N1 C2 -177.3(2) . . . . ?
C4 C5 N1 C2 -0.1(2) . . . . ?
C6 C5 N1 Co1 14.8(3) . . . . ?
C4 C5 N1 Co1 -168.04(14) . . . . ?
N2 Co1 N1 C2 173.4(2) . . . . ?
N3 Co1 N1 C2 75.7(2) . . . . ?
I1 Co1 N1 C2 -60.3(2) . . . . ?
N2 Co1 N1 C5 -22.05(16) . . . . ?
N3 Co1 N1 C5 -119.75(16) . . . . ?
I1 Co1 N1 C5 104.31(15) . . . . ?
C11 C10 N2 C7 -175.85(19) . . . . ?
C9 C10 N2 C7 0.6(2) . . . . ?
C11 C10 N2 Co1 6.5(3) . . . . ?
C9 C10 N2 Co1 -177.09(14) . . . . ?
C6 C7 N2 C10 173.17(19) . . . . ?
C8 C7 N2 C10 -1.0(2) . . . . ?
C6 C7 N2 Co1 -9.2(3) . . . . ?
C8 C7 N2 Co1 176.64(14) . . . . ?
N1 Co1 N2 C10 -162.54(17) . . . . ?
N3 Co1 N2 C10 -21.33(18) . . . . ?
I1 Co1 N2 C10 86.25(17) . . . . ?
N1 Co1 N2 C7 20.26(18) . . . . ?
N3 Co1 N2 C7 161.47(18) . . . . ?
I1 Co1 N2 C7 -90.94(17) . . . . ?
C14 C15 N3 C12 0.0(2) . . . . ?
C16 C15 N3 C12 179.6(2) . . . . ?
C14 C15 N3 Co1 -155.72(16) . . . . ?
C16 C15 N3 Co1 23.9(3) . . . . ?
C11 C12 N3 C15 176.5(2) . . . . ?
C13 C12 N3 C15 -0.6(2) . . . . ?
C11 C12 N3 Co1 -24.5(3) . . . . ?
C13 C12 N3 Co1 158.44(14) . . . . ?
N2 Co1 N3 C15 -178.3(2) . . . . ?
N1 Co1 N3 C15 -80.6(2) . . . . ?
I1 Co1 N3 C15 56.0(2) . . . . ?
N2 Co1 N3 C12 28.58(16) . . . . ?
N1 Co1 N3 C12 126.20(16) . . . . ?
I1 Co1 N3 C12 -97.11(15) . . . . ?
