#------------------------------------------------------------------------------
#$Date: 2018-03-15 18:33:54 +0200 (Thu, 15 Mar 2018) $
#$Revision: 206958 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/00/97/7009720.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_7009720
loop_
_publ_author_name
'Hartshorn, Richard M.'
'Telfer, Shane G.'
_publ_section_title
;
 The photodecarboxylation of [N,N-bis(2-pyridylmethyl)amino
 acidato]phenanthrolinecobalt(III) complexes: -- formation and
 decomposition of metallacyclic species †
;
_journal_issue                   16
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2801
_journal_paper_doi               10.1039/b003095n
_journal_year                    2000
_chemical_formula_sum            'C26 H22 Cl2 Co N5 O10'
_chemical_formula_weight         694.32
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 114.54(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.620(8)
_cell_length_b                   24.487(13)
_cell_length_c                   10.296(6)
_cell_measurement_reflns_used    -
_cell_measurement_temperature    150
_cell_measurement_theta_max      -
_cell_measurement_theta_min      -
_cell_volume                     2665(3)
_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      293(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_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  0.0509
_diffrn_reflns_av_sigmaI/netI    0.0496
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            26963
_diffrn_reflns_theta_full        23.51
_diffrn_reflns_theta_max         23.51
_diffrn_reflns_theta_min         2.10
_exptl_absorpt_coefficient_mu    0.687
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.298
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       block
_exptl_crystal_F_000             1062
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.855
_refine_diff_density_min         -0.429
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.940
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         3873
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.940
_refine_ls_R_factor_all          0.0560
_refine_ls_R_factor_gt           0.0351
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0602P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0888
_refine_ls_wR_factor_ref         0.0933
_reflns_number_gt                2772
_reflns_number_total             3873
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b003095n.txt
_cod_data_source_block           stdpg
_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 

2018-02-23
Z value changed to be consistent with given formula
                 miguel
;
_cod_original_formula_units_Z            4
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7009720
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.20942(4) 0.141177(18) 0.37514(5) 0.01835(16) Uani 1 1 d . . .
N1 N 0.0923(3) 0.15630(11) 0.1810(3) 0.0194(7) Uani 1 1 d . . .
N2 N 0.3367(3) 0.15840(11) 0.3063(3) 0.0189(7) Uani 1 1 d . . .
N3 N 0.0599(3) 0.12853(11) 0.4067(3) 0.0216(7) Uani 1 1 d . . .
N4 N 0.3267(3) 0.13133(11) 0.5705(3) 0.0195(7) Uani 1 1 d . . .
N5 N 0.2365(3) 0.06058(11) 0.3636(3) 0.0201(7) Uani 1 1 d . . .
O1 O 0.2041(2) 0.21604(9) 0.4129(2) 0.0216(6) Uani 1 1 d . . .
O2 O 0.1569(3) 0.29649(10) 0.3027(3) 0.0341(7) Uani 1 1 d . . .
C1 C 0.1473(3) 0.24705(15) 0.3014(4) 0.0223(8) Uani 1 1 d . . .
C2 C 0.0635(3) 0.21679(13) 0.1707(4) 0.0246(9) Uani 1 1 d . . .
H2A H 0.0736 0.2317 0.0888 0.030 Uiso 1 1 calc R . .
H2B H -0.0239 0.2220 0.1555 0.030 Uiso 1 1 calc R . .
C4 C 0.1574(3) 0.14254(15) 0.0868(3) 0.0215(8) Uani 1 1 d . . .
H4A H 0.1189 0.1624 -0.0025 0.026 Uiso 1 1 calc R . .
H4B H 0.1500 0.1038 0.0657 0.026 Uiso 1 1 calc R . .
C5 C 0.2945(3) 0.15816(13) 0.1640(4) 0.0206(8) Uani 1 1 d . . .
C6 C 0.3718(3) 0.17311(15) 0.0979(4) 0.0264(9) Uani 1 1 d . . .
H6 H 0.3416 0.1716 -0.0010 0.032 Uiso 1 1 calc R . .
C7 C 0.4941(3) 0.19031(15) 0.1791(4) 0.0288(9) Uani 1 1 d . . .
H7 H 0.5474 0.2000 0.1360 0.035 Uiso 1 1 calc R . .
C8 C 0.5353(3) 0.19284(14) 0.3244(4) 0.0242(9) Uani 1 1 d . . .
H8 H 0.6160 0.2057 0.3815 0.029 Uiso 1 1 calc R . .
C9 C 0.4555(3) 0.17613(14) 0.3846(4) 0.0223(9) Uani 1 1 d . . .
H9 H 0.4846 0.1771 0.4834 0.027 Uiso 1 1 calc R . .
C10 C -0.0266(3) 0.12474(15) 0.1525(4) 0.0243(9) Uani 1 1 d . . .
H10A H -0.0978 0.1415 0.0750 0.029 Uiso 1 1 calc R . .
H10B H -0.0180 0.0875 0.1257 0.029 Uiso 1 1 calc R . .
C11 C -0.0476(3) 0.12519(13) 0.2864(3) 0.0209(8) Uani 1 1 d . . .
C12 C -0.1635(4) 0.12272(14) 0.2910(4) 0.0282(9) Uani 1 1 d . . .
H12 H -0.2368 0.1209 0.2069 0.034 Uiso 1 1 calc R . .
C13 C -0.1710(4) 0.12297(16) 0.4208(4) 0.0328(10) Uani 1 1 d . . .
H13 H -0.2493 0.1210 0.4252 0.039 Uiso 1 1 calc R . .
C14 C -0.0627(4) 0.12619(15) 0.5428(4) 0.0309(10) Uani 1 1 d . . .
H14 H -0.0658 0.1267 0.6316 0.037 Uiso 1 1 calc R . .
C15 C 0.0511(4) 0.12868(14) 0.5324(4) 0.0273(9) Uani 1 1 d . . .
H15 H 0.1251 0.1306 0.6159 0.033 Uiso 1 1 calc R . .
C16 C 0.3714(3) 0.16989(15) 0.6714(4) 0.0234(8) Uani 1 1 d . . .
H16 H 0.3430 0.2057 0.6499 0.028 Uiso 1 1 calc R . .
C17 C 0.4589(3) 0.15703(15) 0.8067(4) 0.0242(9) Uani 1 1 d . . .
H17 H 0.4906 0.1844 0.8751 0.029 Uiso 1 1 calc R . .
C18 C 0.4997(3) 0.10464(15) 0.8415(4) 0.0262(9) Uani 1 1 d . . .
H18 H 0.5582 0.0964 0.9335 0.031 Uiso 1 1 calc R . .
C19 C 0.4540(3) 0.06334(14) 0.7394(3) 0.0231(8) Uani 1 1 d . . .
C20 C 0.4898(4) 0.00700(15) 0.7622(4) 0.0290(9) Uani 1 1 d . . .
H20 H 0.5454 -0.0045 0.8527 0.035 Uiso 1 1 calc R . .
C21 C 0.4447(4) -0.02973(15) 0.6557(4) 0.0300(10) Uani 1 1 d . . .
H21 H 0.4703 -0.0660 0.6738 0.036 Uiso 1 1 calc R . .
C22 C 0.3587(3) -0.01410(14) 0.5161(4) 0.0226(8) Uani 1 1 d . . .
C23 C 0.3103(3) -0.05028(15) 0.4008(4) 0.0279(9) Uani 1 1 d . . .
H23 H 0.3350 -0.0867 0.4112 0.033 Uiso 1 1 calc R . .
C24 C 0.2260(4) -0.03055(14) 0.2729(4) 0.0284(9) Uani 1 1 d . . .
H24 H 0.1916 -0.0538 0.1947 0.034 Uiso 1 1 calc R . .
C25 C 0.1914(3) 0.02416(15) 0.2587(4) 0.0269(9) Uani 1 1 d . . .
H25 H 0.1328 0.0361 0.1701 0.032 Uiso 1 1 calc R . .
C26 C 0.3198(3) 0.04051(14) 0.4921(3) 0.0201(8) Uani 1 1 d . . .
C27 C 0.3685(3) 0.07913(14) 0.6043(3) 0.0184(8) Uani 1 1 d . . .
Cl1 Cl 0.78239(9) 0.20250(4) 0.79572(10) 0.0291(2) Uani 1 1 d . . .
O11 O 0.8312(6) 0.25122(17) 0.7789(5) 0.140(2) Uani 1 1 d . . .
O12 O 0.8738(4) 0.16045(16) 0.8249(3) 0.0813(13) Uani 1 1 d . . .
O13 O 0.6791(3) 0.18802(19) 0.6722(3) 0.0934(14) Uani 1 1 d . . .
O14 O 0.7460(3) 0.20668(14) 0.9120(3) 0.0569(9) Uani 1 1 d . . .
Cl2 Cl -0.19662(9) -0.01743(4) 0.12081(10) 0.0345(3) Uani 1 1 d . . .
O21 O -0.1677(4) -0.01811(15) 0.2661(3) 0.0781(12) Uani 1 1 d . . .
O22 O -0.2567(3) 0.03315(11) 0.0619(3) 0.0616(10) Uani 1 1 d . . .
O23 O -0.0848(3) -0.02245(13) 0.0948(3) 0.0591(9) Uani 1 1 d . . .
O24 O -0.2821(3) -0.06081(12) 0.0488(4) 0.0632(10) 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'
O O 0.0106 0.0060 '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'
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Co N4 88.61(11) . . ?
O1 Co N3 90.70(11) . . ?
N4 Co N3 95.78(13) . . ?
O1 Co N1 87.57(11) . . ?
N4 Co N1 176.15(12) . . ?
N3 Co N1 84.73(13) . . ?
O1 Co N2 87.66(11) . . ?
N4 Co N2 95.35(13) . . ?
N3 Co N2 168.71(12) . . ?
N1 Co N2 84.03(13) . . ?
O1 Co N5 171.51(10) . . ?
N4 Co N5 83.01(11) . . ?
N3 Co N5 91.52(11) . . ?
N1 Co N5 100.80(11) . . ?
N2 Co N5 91.73(11) . . ?
C4 N1 C10 115.4(3) . . ?
C4 N1 C2 109.4(3) . . ?
C10 N1 C2 109.4(3) . . ?
C4 N1 Co 107.4(2) . . ?
C10 N1 Co 107.4(2) . . ?
C2 N1 Co 107.51(19) . . ?
C5 N2 C9 118.3(3) . . ?
C5 N2 Co 114.4(2) . . ?
C9 N2 Co 126.9(2) . . ?
C15 N3 C11 118.4(3) . . ?
C15 N3 Co 126.9(2) . . ?
C11 N3 Co 114.3(2) . . ?
C16 N4 C27 118.8(3) . . ?
C16 N4 Co 127.0(2) . . ?
C27 N4 Co 114.2(2) . . ?
C25 N5 C26 115.3(3) . . ?
C25 N5 Co 133.5(2) . . ?
C26 N5 Co 111.2(2) . . ?
C1 O1 Co 115.7(2) . . ?
O2 C1 O1 124.0(3) . . ?
O2 C1 C2 121.9(3) . . ?
O1 C1 C2 114.0(3) . . ?
C1 C2 N1 112.4(3) . . ?
N1 C4 C5 108.0(3) . . ?
N2 C5 C6 121.4(3) . . ?
N2 C5 C4 113.9(3) . . ?
C6 C5 C4 124.7(3) . . ?
C7 C6 C5 119.9(3) . . ?
C8 C7 C6 118.7(3) . . ?
C7 C8 C9 118.9(3) . . ?
N2 C9 C8 122.8(3) . . ?
C11 C10 N1 107.8(3) . . ?
N3 C11 C12 121.4(3) . . ?
N3 C11 C10 113.8(3) . . ?
C12 C11 C10 124.8(3) . . ?
C11 C12 C13 119.6(3) . . ?
C14 C13 C12 119.3(4) . . ?
C13 C14 C15 118.8(3) . . ?
N3 C15 C14 122.5(3) . . ?
N4 C16 C17 120.6(3) . . ?
C18 C17 C16 120.7(3) . . ?
C17 C18 C19 120.1(3) . . ?
C27 C19 C18 116.3(3) . . ?
C27 C19 C20 118.1(3) . . ?
C18 C19 C20 125.5(3) . . ?
C21 C20 C19 121.5(3) . . ?
C20 C21 C22 121.1(3) . . ?
C23 C22 C26 118.0(3) . . ?
C23 C22 C21 123.6(3) . . ?
C26 C22 C21 118.4(3) . . ?
C24 C23 C22 118.0(3) . . ?
C23 C24 C25 120.3(3) . . ?
N5 C25 C24 124.3(3) . . ?
N5 C26 C22 124.1(3) . . ?
N5 C26 C27 115.6(3) . . ?
C22 C26 C27 120.2(3) . . ?
N4 C27 C19 123.4(3) . . ?
N4 C27 C26 116.1(3) . . ?
C19 C27 C26 120.6(3) . . ?
O11 Cl1 O13 110.8(3) . . ?
O11 Cl1 O12 110.4(3) . . ?
O13 Cl1 O12 107.2(2) . . ?
O11 Cl1 O14 109.1(2) . . ?
O13 Cl1 O14 110.0(2) . . ?
O12 Cl1 O14 109.31(19) . . ?
O21 Cl2 O22 108.9(2) . . ?
O21 Cl2 O24 110.7(2) . . ?
O22 Cl2 O24 108.2(2) . . ?
O21 Cl2 O23 111.5(2) . . ?
O22 Cl2 O23 108.4(2) . . ?
O24 Cl2 O23 109.06(18) . . ?
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
Co O1 1.880(2) . ?
Co N4 1.919(3) . ?
Co N3 1.921(3) . ?
Co N1 1.930(3) . ?
Co N2 1.933(3) . ?
Co N5 2.010(3) . ?
N1 C4 1.495(4) . ?
N1 C10 1.502(4) . ?
N1 C2 1.513(4) . ?
N2 C5 1.338(4) . ?
N2 C9 1.349(4) . ?
N3 C15 1.339(4) . ?
N3 C11 1.347(4) . ?
N4 C16 1.339(4) . ?
N4 C27 1.361(4) . ?
N5 C25 1.328(4) . ?
N5 C26 1.366(4) . ?
O1 C1 1.304(4) . ?
O2 C1 1.215(4) . ?
C1 C2 1.490(5) . ?
C4 C5 1.504(5) . ?
C5 C6 1.383(5) . ?
C6 C7 1.381(5) . ?
C7 C8 1.370(5) . ?
C8 C9 1.374(5) . ?
C10 C11 1.497(5) . ?
C11 C12 1.369(5) . ?
C12 C13 1.375(5) . ?
C13 C14 1.362(5) . ?
C14 C15 1.372(5) . ?
C16 C17 1.378(5) . ?
C17 C18 1.363(5) . ?
C18 C19 1.395(5) . ?
C19 C27 1.387(5) . ?
C19 C20 1.432(5) . ?
C20 C21 1.345(5) . ?
C21 C22 1.421(5) . ?
C22 C23 1.398(5) . ?
C22 C26 1.400(5) . ?
C23 C24 1.362(5) . ?
C24 C25 1.389(5) . ?
C26 C27 1.416(5) . ?
Cl1 O11 1.363(4) . ?
Cl1 O13 1.384(3) . ?
Cl1 O12 1.419(3) . ?
Cl1 O14 1.429(3) . ?
Cl2 O21 1.390(3) . ?
Cl2 O22 1.428(3) . ?
Cl2 O24 1.433(3) . ?
Cl2 O23 1.437(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
O1 Co N1 C4 117.2(2) . . . . ?
N4 Co N1 C4 110.3(17) . . . . ?
N3 Co N1 C4 -151.9(2) . . . . ?
N2 Co N1 C4 29.3(2) . . . . ?
N5 Co N1 C4 -61.3(2) . . . . ?
O1 Co N1 C10 -118.0(2) . . . . ?
N4 Co N1 C10 -125.0(17) . . . . ?
N3 Co N1 C10 -27.1(2) . . . . ?
N2 Co N1 C10 154.1(2) . . . . ?
N5 Co N1 C10 63.4(2) . . . . ?
O1 Co N1 C2 -0.4(2) . . . . ?
N4 Co N1 C2 -7.4(18) . . . . ?
N3 Co N1 C2 90.5(2) . . . . ?
N2 Co N1 C2 -88.4(2) . . . . ?
N5 Co N1 C2 -179.0(2) . . . . ?
O1 Co N2 C5 -103.9(2) . . . . ?
N4 Co N2 C5 167.7(2) . . . . ?
N3 Co N2 C5 -22.1(7) . . . . ?
N1 Co N2 C5 -16.1(2) . . . . ?
N5 Co N2 C5 84.6(2) . . . . ?
O1 Co N2 C9 68.0(3) . . . . ?
N4 Co N2 C9 -20.4(3) . . . . ?
N3 Co N2 C9 149.8(5) . . . . ?
N1 Co N2 C9 155.8(3) . . . . ?
N5 Co N2 C9 -103.5(3) . . . . ?
O1 Co N3 C15 -73.1(3) . . . . ?
N4 Co N3 C15 15.6(3) . . . . ?
N1 Co N3 C15 -160.6(3) . . . . ?
N2 Co N3 C15 -154.6(5) . . . . ?
N5 Co N3 C15 98.7(3) . . . . ?
O1 Co N3 C11 99.3(2) . . . . ?
N4 Co N3 C11 -172.1(2) . . . . ?
N1 Co N3 C11 11.8(2) . . . . ?
N2 Co N3 C11 17.7(7) . . . . ?
N5 Co N3 C11 -88.9(2) . . . . ?
O1 Co N4 C16 0.0(3) . . . . ?
N3 Co N4 C16 -90.6(3) . . . . ?
N1 Co N4 C16 6.9(19) . . . . ?
N2 Co N4 C16 87.5(3) . . . . ?
N5 Co N4 C16 178.6(3) . . . . ?
O1 Co N4 C27 -178.5(2) . . . . ?
N3 Co N4 C27 91.0(2) . . . . ?
N1 Co N4 C27 -171.5(16) . . . . ?
N2 Co N4 C27 -90.9(2) . . . . ?
N5 Co N4 C27 0.2(2) . . . . ?
O1 Co N5 C25 -170.3(6) . . . . ?
N4 Co N5 C25 -179.7(3) . . . . ?
N3 Co N5 C25 84.6(3) . . . . ?
N1 Co N5 C25 -0.3(3) . . . . ?
N2 Co N5 C25 -84.6(3) . . . . ?
O1 Co N5 C26 9.2(8) . . . . ?
N4 Co N5 C26 -0.2(2) . . . . ?
N3 Co N5 C26 -95.9(2) . . . . ?
N1 Co N5 C26 179.2(2) . . . . ?
N2 Co N5 C26 94.9(2) . . . . ?
N4 Co O1 C1 169.4(2) . . . . ?
N3 Co O1 C1 -94.8(2) . . . . ?
N1 Co O1 C1 -10.1(2) . . . . ?
N2 Co O1 C1 74.0(2) . . . . ?
N5 Co O1 C1 160.1(6) . . . . ?
Co O1 C1 O2 -164.6(3) . . . . ?
Co O1 C1 C2 17.9(4) . . . . ?
O2 C1 C2 N1 164.6(3) . . . . ?
O1 C1 C2 N1 -17.9(4) . . . . ?
C4 N1 C2 C1 -107.0(3) . . . . ?
C10 N1 C2 C1 125.7(3) . . . . ?
Co N1 C2 C1 9.4(3) . . . . ?
C10 N1 C4 C5 -156.4(3) . . . . ?
C2 N1 C4 C5 79.7(3) . . . . ?
Co N1 C4 C5 -36.7(3) . . . . ?
C9 N2 C5 C6 3.1(5) . . . . ?
Co N2 C5 C6 175.8(3) . . . . ?
C9 N2 C5 C4 -174.7(3) . . . . ?
Co N2 C5 C4 -2.1(4) . . . . ?
N1 C4 C5 N2 25.7(4) . . . . ?
N1 C4 C5 C6 -152.0(3) . . . . ?
N2 C5 C6 C7 -2.0(5) . . . . ?
C4 C5 C6 C7 175.6(3) . . . . ?
C5 C6 C7 C8 -0.9(5) . . . . ?
C6 C7 C8 C9 2.6(5) . . . . ?
C5 N2 C9 C8 -1.3(5) . . . . ?
Co N2 C9 C8 -173.0(3) . . . . ?
C7 C8 C9 N2 -1.5(5) . . . . ?
C4 N1 C10 C11 156.4(3) . . . . ?
C2 N1 C10 C11 -79.8(3) . . . . ?
Co N1 C10 C11 36.6(3) . . . . ?
C15 N3 C11 C12 0.8(5) . . . . ?
Co N3 C11 C12 -172.2(3) . . . . ?
C15 N3 C11 C10 -179.4(3) . . . . ?
Co N3 C11 C10 7.6(4) . . . . ?
N1 C10 C11 N3 -29.3(4) . . . . ?
N1 C10 C11 C12 150.5(3) . . . . ?
N3 C11 C12 C13 -0.8(5) . . . . ?
C10 C11 C12 C13 179.4(3) . . . . ?
C11 C12 C13 C14 0.6(5) . . . . ?
C12 C13 C14 C15 -0.5(6) . . . . ?
C11 N3 C15 C14 -0.7(5) . . . . ?
Co N3 C15 C14 171.4(3) . . . . ?
C13 C14 C15 N3 0.6(6) . . . . ?
C27 N4 C16 C17 0.6(5) . . . . ?
Co N4 C16 C17 -177.8(2) . . . . ?
N4 C16 C17 C18 -1.5(5) . . . . ?
C16 C17 C18 C19 0.7(5) . . . . ?
C17 C18 C19 C27 0.8(5) . . . . ?
C17 C18 C19 C20 179.6(3) . . . . ?
C27 C19 C20 C21 1.6(5) . . . . ?
C18 C19 C20 C21 -177.2(4) . . . . ?
C19 C20 C21 C22 -0.6(6) . . . . ?
C20 C21 C22 C23 178.9(3) . . . . ?
C20 C21 C22 C26 -1.0(5) . . . . ?
C26 C22 C23 C24 -1.5(5) . . . . ?
C21 C22 C23 C24 178.5(3) . . . . ?
C22 C23 C24 C25 0.8(5) . . . . ?
C26 N5 C25 C24 -1.5(5) . . . . ?
Co N5 C25 C24 178.0(3) . . . . ?
C23 C24 C25 N5 0.8(6) . . . . ?
C25 N5 C26 C22 0.6(5) . . . . ?
Co N5 C26 C22 -179.0(3) . . . . ?
C25 N5 C26 C27 179.9(3) . . . . ?
Co N5 C26 C27 0.3(4) . . . . ?
C23 C22 C26 N5 0.8(5) . . . . ?
C21 C22 C26 N5 -179.2(3) . . . . ?
C23 C22 C26 C27 -178.4(3) . . . . ?
C21 C22 C26 C27 1.6(5) . . . . ?
C16 N4 C27 C19 1.1(5) . . . . ?
Co N4 C27 C19 179.6(3) . . . . ?
C16 N4 C27 C26 -178.6(3) . . . . ?
Co N4 C27 C26 0.0(4) . . . . ?
C18 C19 C27 N4 -1.8(5) . . . . ?
C20 C19 C27 N4 179.3(3) . . . . ?
C18 C19 C27 C26 177.9(3) . . . . ?
C20 C19 C27 C26 -1.0(5) . . . . ?
N5 C26 C27 N4 -0.2(4) . . . . ?
C22 C26 C27 N4 179.1(3) . . . . ?
N5 C26 C27 C19 -179.9(3) . . . . ?
C22 C26 C27 C19 -0.6(5) . . . . ?
