#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:11:17 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179680 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/02/7000268.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_7000268
loop_
_publ_author_name
'Palma, Aniello'
'Gallagher, John F.'
'Müller-Bunz, Helge'
'Wolowska, Joanna'
'McInnes, Eric J.L.'
'O'Shea, Donal F.'
_publ_section_title
;
 Co(ii), Ni(ii), Cu(ii) and Zn(ii) complexes of
 tetraphenylazadipyrromethene
;
_journal_issue                   2
_journal_name_full               'Dalton Transactions'
_journal_page_first              273
_journal_page_last               279
_journal_paper_doi               10.1039/b811764k
_journal_year                    2009
_chemical_formula_moiety         'C64 H44 Co N6'
_chemical_formula_sum            'C64 H44 Co N6'
_chemical_formula_weight         955.98
_chemical_melting_point          589
_chemical_name_systematic
;
?
;
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.860(3)
_cell_length_b                   44.375(5)
_cell_length_c                   10.7534(13)
_cell_measurement_reflns_used    3053
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      23.9
_cell_measurement_theta_min      2.2
_cell_volume                     9477(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      100(2)
_diffrn_measured_fraction_theta_full 1.00
_diffrn_measured_fraction_theta_max 1.00
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'φ and ω 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  0.0366
_diffrn_reflns_av_sigmaI/netI    0.0409
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       50
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            9834
_diffrn_reflns_theta_full        24.2
_diffrn_reflns_theta_max         24.16
_diffrn_reflns_theta_min         1.84
_exptl_absorpt_coefficient_mu    0.413
_exptl_absorpt_correction_T_max  0.980
_exptl_absorpt_correction_T_min  0.665
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.340
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3976
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.40
_refine_diff_density_min         -0.32
_refine_diff_density_rms         0.05
_refine_ls_abs_structure_details '(Flack, 1983)'
_refine_ls_abs_structure_Flack   -0.006(17)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     321
_refine_ls_number_reflns         3161
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0430
_refine_ls_R_factor_gt           0.0387
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0627P)²+6.4463P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0936
_refine_ls_wR_factor_ref         0.0957
_reflns_number_gt                2943
_reflns_number_total             3161
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b811764k.txt
_cod_data_source_block           Cobalt
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Empirical' changed to
'empirical' 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_database_code               7000268
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'x+1/4, -y+1/4, z+1/4'
'-x+1/4, y+1/4, z+1/4'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'x+1/4, -y+3/4, z+3/4'
'-x+1/4, y+3/4, z+3/4'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'x+3/4, -y+1/4, z+3/4'
'-x+3/4, y+1/4, z+3/4'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'x+3/4, -y+3/4, z+1/4'
'-x+3/4, y+3/4, z+1/4'
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 0.2500 0.2500 0.99765(5) 0.01782(18) Uani 1 2 d S . .
C1 C 0.19716(18) 0.15698(7) 1.1831(3) 0.0251(8) Uani 1 1 d . . .
H1 H 0.1553 0.1487 1.1578 0.030 Uiso 1 1 calc R . .
C2 C 0.24702(18) 0.13819(8) 1.2278(4) 0.0340(9) Uani 1 1 d . . .
H2 H 0.2389 0.1172 1.2353 0.041 Uiso 1 1 calc R . .
C3 C 0.30898(18) 0.14999(8) 1.2618(4) 0.0340(9) Uani 1 1 d . . .
H3 H 0.3439 0.1370 1.2898 0.041 Uiso 1 1 calc R . .
C4 C 0.31975(17) 0.18062(8) 1.2550(4) 0.0312(8) Uani 1 1 d . . .
H4 H 0.3620 0.1888 1.2793 0.037 Uiso 1 1 calc R . .
C5 C 0.26915(17) 0.19954(8) 1.2127(3) 0.0231(8) Uani 1 1 d . . .
H5 H 0.2767 0.2207 1.2097 0.028 Uiso 1 1 calc R . .
C6 C 0.20746(16) 0.18797(7) 1.1746(3) 0.0197(7) Uani 1 1 d . . .
C7 C 0.15436(16) 0.20730(7) 1.1246(3) 0.0181(7) Uani 1 1 d . . .
N1 N 0.16603(13) 0.23431(6) 1.0738(3) 0.0180(6) Uani 1 1 d . . .
C8 C 0.08410(17) 0.20034(7) 1.1214(3) 0.0220(8) Uani 1 1 d . . .
H8 H 0.0634 0.1825 1.1516 0.026 Uiso 1 1 calc R . .
C9 C 0.05226(16) 0.22421(7) 1.0665(3) 0.0193(7) Uani 1 1 d . . .
C10 C -0.02039(16) 0.22689(7) 1.0413(3) 0.0214(8) Uani 1 1 d . . .
C11 C -0.06631(17) 0.21171(7) 1.1167(4) 0.0260(8) Uani 1 1 d . . .
H11 H -0.0503 0.1998 1.1841 0.031 Uiso 1 1 calc R . .
C12 C -0.13456(18) 0.21365(8) 1.0951(4) 0.0290(9) Uani 1 1 d . . .
H12 H -0.1652 0.2032 1.1477 0.035 Uiso 1 1 calc R . .
C13 C -0.15858(17) 0.23066(8) 0.9974(4) 0.0328(9) Uani 1 1 d . . .
H13 H -0.2056 0.2319 0.9823 0.039 Uiso 1 1 calc R . .
C14 C -0.11414(18) 0.24596(8) 0.9215(4) 0.0306(9) Uani 1 1 d . . .
H14 H -0.1306 0.2580 0.8550 0.037 Uiso 1 1 calc R . .
C15 C -0.04512(17) 0.24375(7) 0.9426(4) 0.0255(8) Uani 1 1 d . . .
H15 H -0.0146 0.2539 0.8889 0.031 Uiso 1 1 calc R . .
C16 C 0.10380(16) 0.24585(7) 1.0368(3) 0.0179(7) Uani 1 1 d . . .
N2 N 0.09198(13) 0.27246(6) 0.9863(3) 0.0199(6) Uani 1 1 d . . .
C17 C 0.13751(16) 0.29155(7) 0.9414(3) 0.0187(7) Uani 1 1 d . . .
N3 N 0.20557(13) 0.28524(6) 0.9214(3) 0.0187(6) Uani 1 1 d . . .
C18 C 0.12341(17) 0.32215(7) 0.9044(3) 0.0198(7) Uani 1 1 d . . .
C19 C 0.05792(16) 0.33755(7) 0.8955(3) 0.0190(7) Uani 1 1 d . . .
C20 C -0.00233(17) 0.32475(7) 0.9368(4) 0.0245(8) Uani 1 1 d . . .
H20 H -0.0017 0.3057 0.9773 0.029 Uiso 1 1 calc R . .
C21 C -0.06317(18) 0.33956(8) 0.9191(4) 0.0300(9) Uani 1 1 d . . .
H21 H -0.1038 0.3305 0.9468 0.036 Uiso 1 1 calc R . .
C22 C -0.06492(17) 0.36744(8) 0.8615(3) 0.0277(9) Uani 1 1 d . . .
H22 H -0.1066 0.3775 0.8495 0.033 Uiso 1 1 calc R . .
C23 C -0.00552(18) 0.38061(8) 0.8215(4) 0.0286(9) Uani 1 1 d . . .
H23 H -0.0063 0.3997 0.7819 0.034 Uiso 1 1 calc R . .
C24 C 0.05462(18) 0.36581(7) 0.8393(4) 0.0266(8) Uani 1 1 d . . .
H24 H 0.0951 0.3751 0.8124 0.032 Uiso 1 1 calc R . .
C25 C 0.18474(16) 0.33371(7) 0.8678(3) 0.0196(7) Uani 1 1 d . . .
H25 H 0.1931 0.3538 0.8418 0.024 Uiso 1 1 calc R . .
C26 C 0.23258(17) 0.31063(7) 0.8758(3) 0.0203(7) Uani 1 1 d . . .
C27 C 0.30281(17) 0.31235(7) 0.8324(3) 0.0202(7) Uani 1 1 d . . .
C28 C 0.33684(17) 0.33961(8) 0.8349(4) 0.0257(8) Uani 1 1 d . . .
H28 H 0.3149 0.3571 0.8660 0.031 Uiso 1 1 calc R . .
C29 C 0.40263(19) 0.34159(8) 0.7925(3) 0.0305(9) Uani 1 1 d . . .
H29 H 0.4254 0.3604 0.7942 0.037 Uiso 1 1 calc R . .
C30 C 0.43493(17) 0.31648(8) 0.7483(4) 0.0321(8) Uani 1 1 d . . .
H30 H 0.4804 0.3178 0.7215 0.039 Uiso 1 1 calc R . .
C31 C 0.40146(17) 0.28919(8) 0.7427(4) 0.0307(8) Uani 1 1 d . . .
H31 H 0.4235 0.2719 0.7100 0.037 Uiso 1 1 calc R . .
C32 C 0.33587(17) 0.28719(7) 0.7847(3) 0.0239(8) Uani 1 1 d . . .
H32 H 0.3130 0.2684 0.7810 0.029 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'
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'
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
N3 Co1 N3 130.92(16) 14 . ?
N3 Co1 N1 94.22(11) 14 14 ?
N3 Co1 N1 105.62(10) . 14 ?
N3 Co1 N1 105.62(10) 14 . ?
N3 Co1 N1 94.22(11) . . ?
N1 Co1 N1 131.25(16) 14 . ?
C2 C1 C6 120.9(3) . . ?
C2 C1 H1 119.6 . . ?
C6 C1 H1 119.6 . . ?
C1 C2 C3 120.0(3) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 H2 120.0 . . ?
C4 C3 C2 119.8(3) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
C3 C4 C5 120.2(3) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 H4 119.9 . . ?
C4 C5 C6 120.8(3) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C5 C6 C1 118.3(3) . . ?
C5 C6 C7 121.8(3) . . ?
C1 C6 C7 119.8(3) . . ?
N1 C7 C8 110.7(3) . . ?
N1 C7 C6 123.4(3) . . ?
C8 C7 C6 125.9(3) . . ?
C7 N1 C16 107.0(3) . . ?
C7 N1 Co1 129.0(2) . . ?
C16 N1 Co1 119.9(2) . . ?
C9 C8 C7 107.1(3) . . ?
C9 C8 H8 126.4 . . ?
C7 C8 H8 126.4 . . ?
C8 C9 C16 106.5(3) . . ?
C8 C9 C10 126.5(3) . . ?
C16 C9 C10 127.0(3) . . ?
C15 C10 C11 118.3(3) . . ?
C15 C10 C9 122.1(3) . . ?
C11 C10 C9 119.6(3) . . ?
C12 C11 C10 121.0(3) . . ?
C12 C11 H11 119.5 . . ?
C10 C11 H11 119.5 . . ?
C11 C12 C13 120.2(3) . . ?
C11 C12 H12 119.9 . . ?
C13 C12 H12 119.9 . . ?
C12 C13 C14 119.9(3) . . ?
C12 C13 H13 120.1 . . ?
C14 C13 H13 120.1 . . ?
C13 C14 C15 119.9(4) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C10 C15 C14 120.7(3) . . ?
C10 C15 H15 119.7 . . ?
C14 C15 H15 119.7 . . ?
N2 C16 N1 127.0(3) . . ?
N2 C16 C9 124.2(3) . . ?
N1 C16 C9 108.8(3) . . ?
C16 N2 C17 126.7(3) . . ?
N2 C17 N3 125.9(3) . . ?
N2 C17 C18 124.6(3) . . ?
N3 C17 C18 109.5(3) . . ?
C26 N3 C17 106.0(3) . . ?
C26 N3 Co1 129.7(2) . . ?
C17 N3 Co1 121.8(2) . . ?
C25 C18 C17 104.9(3) . . ?
C25 C18 C19 126.1(3) . . ?
C17 C18 C19 128.8(3) . . ?
C24 C19 C20 117.6(3) . . ?
C24 C19 C18 119.1(3) . . ?
C20 C19 C18 123.2(3) . . ?
C21 C20 C19 120.6(3) . . ?
C21 C20 H20 119.7 . . ?
C19 C20 H20 119.7 . . ?
C22 C21 C20 120.4(3) . . ?
C22 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
C21 C22 C23 119.7(3) . . ?
C21 C22 H22 120.2 . . ?
C23 C22 H22 120.2 . . ?
C24 C23 C22 119.6(3) . . ?
C24 C23 H23 120.2 . . ?
C22 C23 H23 120.2 . . ?
C23 C24 C19 122.0(3) . . ?
C23 C24 H24 119.0 . . ?
C19 C24 H24 119.0 . . ?
C18 C25 C26 108.0(3) . . ?
C18 C25 H25 126.0 . . ?
C26 C25 H25 126.0 . . ?
N3 C26 C25 111.5(3) . . ?
N3 C26 C27 122.6(3) . . ?
C25 C26 C27 125.9(3) . . ?
C28 C27 C32 118.5(3) . . ?
C28 C27 C26 120.0(3) . . ?
C32 C27 C26 121.4(3) . . ?
C27 C28 C29 120.5(3) . . ?
C27 C28 H28 119.7 . . ?
C29 C28 H28 119.7 . . ?
C30 C29 C28 120.2(3) . . ?
C30 C29 H29 119.9 . . ?
C28 C29 H29 119.9 . . ?
C29 C30 C31 120.1(3) . . ?
C29 C30 H30 119.9 . . ?
C31 C30 H30 119.9 . . ?
C32 C31 C30 119.7(3) . . ?
C32 C31 H31 120.2 . . ?
C30 C31 H31 120.2 . . ?
C31 C32 C27 120.9(3) . . ?
C31 C32 H32 119.6 . . ?
C27 C32 H32 119.6 . . ?
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 N3 1.974(3) 14 ?
Co1 N3 1.974(3) . ?
Co1 N1 1.984(3) 14 ?
Co1 N1 1.984(3) . ?
C1 C2 1.381(5) . ?
C1 C6 1.394(4) . ?
C1 H1 0.9500 . ?
C2 C3 1.386(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.378(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.386(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.390(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.462(5) . ?
C7 N1 1.337(4) . ?
C7 C8 1.430(5) . ?
N1 C16 1.396(4) . ?
C8 C9 1.367(5) . ?
C8 H8 0.9500 . ?
C9 C16 1.439(5) . ?
C9 C10 1.473(5) . ?
C10 C15 1.388(5) . ?
C10 C11 1.394(5) . ?
C11 C12 1.378(5) . ?
C11 H11 0.9500 . ?
C12 C13 1.379(6) . ?
C12 H12 0.9500 . ?
C13 C14 1.380(6) . ?
C13 H13 0.9500 . ?
C14 C15 1.393(5) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 N2 1.321(4) . ?
N2 C17 1.329(4) . ?
C17 N3 1.397(4) . ?
C17 C18 1.442(4) . ?
N3 C26 1.341(4) . ?
C18 C25 1.379(5) . ?
C18 C19 1.472(4) . ?
C19 C24 1.394(5) . ?
C19 C20 1.397(5) . ?
C20 C21 1.389(5) . ?
C20 H20 0.9500 . ?
C21 C22 1.384(5) . ?
C21 H21 0.9500 . ?
C22 C23 1.385(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.377(5) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C26 1.400(5) . ?
C25 H25 0.9500 . ?
C26 C27 1.473(5) . ?
C27 C28 1.386(5) . ?
C27 C32 1.393(5) . ?
C28 C29 1.387(5) . ?
C28 H28 0.9500 . ?
C29 C30 1.371(5) . ?
C29 H29 0.9500 . ?
C30 C31 1.383(5) . ?
C30 H30 0.9500 . ?
C31 C32 1.382(5) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C15 H15 N2 0.95 2.50 3.043(4) 116 . yes
C20 H20 N2 0.95 2.38 3.029(4) 126 . yes
C12 H12 Cg1 0.95 2.80 3.548(3) 137 6 yes
C31 H31 Cg2 0.95 2.82 3.606(3) 141 9_554 yes
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
C6 C1 C2 C3 -1.8(6) . . . . ?
C1 C2 C3 C4 2.3(6) . . . . ?
C2 C3 C4 C5 -0.8(6) . . . . ?
C3 C4 C5 C6 -1.2(6) . . . . ?
C4 C5 C6 C1 1.7(5) . . . . ?
C4 C5 C6 C7 -177.3(3) . . . . ?
C2 C1 C6 C5 -0.2(5) . . . . ?
C2 C1 C6 C7 178.8(3) . . . . ?
C5 C6 C7 N1 22.7(5) . . . . ?
C1 C6 C7 N1 -156.3(3) . . . . ?
C5 C6 C7 C8 -157.9(3) . . . . ?
C1 C6 C7 C8 23.1(5) . . . . ?
C8 C7 N1 C16 0.4(4) . . . . ?
C6 C7 N1 C16 179.8(3) . . . . ?
C8 C7 N1 Co1 -155.9(2) . . . . ?
C6 C7 N1 Co1 23.5(5) . . . . ?
N3 Co1 N1 C7 32.4(3) 14 . . . ?
N3 Co1 N1 C7 167.1(3) . . . . ?
N1 Co1 N1 C7 -77.9(3) 14 . . . ?
N3 Co1 N1 C16 -121.3(2) 14 . . . ?
N3 Co1 N1 C16 13.3(2) . . . . ?
N1 Co1 N1 C16 128.4(2) 14 . . . ?
N1 C7 C8 C9 -0.1(4) . . . . ?
C6 C7 C8 C9 -179.5(3) . . . . ?
C7 C8 C9 C16 -0.2(4) . . . . ?
C7 C8 C9 C10 178.9(3) . . . . ?
C8 C9 C10 C15 -150.9(4) . . . . ?
C16 C9 C10 C15 28.0(5) . . . . ?
C8 C9 C10 C11 28.0(5) . . . . ?
C16 C9 C10 C11 -153.1(3) . . . . ?
C15 C10 C11 C12 -0.8(5) . . . . ?
C9 C10 C11 C12 -179.7(3) . . . . ?
C10 C11 C12 C13 0.3(6) . . . . ?
C11 C12 C13 C14 -0.4(6) . . . . ?
C12 C13 C14 C15 1.1(6) . . . . ?
C11 C10 C15 C14 1.5(5) . . . . ?
C9 C10 C15 C14 -179.7(3) . . . . ?
C13 C14 C15 C10 -1.6(6) . . . . ?
C7 N1 C16 N2 177.5(3) . . . . ?
Co1 N1 C16 N2 -23.6(4) . . . . ?
C7 N1 C16 C9 -0.5(4) . . . . ?
Co1 N1 C16 C9 158.4(2) . . . . ?
C8 C9 C16 N2 -177.6(3) . . . . ?
C10 C9 C16 N2 3.3(6) . . . . ?
C8 C9 C16 N1 0.5(4) . . . . ?
C10 C9 C16 N1 -178.6(3) . . . . ?
N1 C16 N2 C17 12.1(6) . . . . ?
C9 C16 N2 C17 -170.2(3) . . . . ?
C16 N2 C17 N3 10.7(5) . . . . ?
C16 N2 C17 C18 -170.2(3) . . . . ?
N2 C17 N3 C26 180.0(3) . . . . ?
C18 C17 N3 C26 0.7(4) . . . . ?
N2 C17 N3 Co1 -16.4(4) . . . . ?
C18 C17 N3 Co1 164.3(2) . . . . ?
N3 Co1 N3 C26 -81.7(3) 14 . . . ?
N1 Co1 N3 C26 28.3(3) 14 . . . ?
N1 Co1 N3 C26 163.3(3) . . . . ?
N3 Co1 N3 C17 118.9(3) 14 . . . ?
N1 Co1 N3 C17 -131.0(2) 14 . . . ?
N1 Co1 N3 C17 4.0(3) . . . . ?
N2 C17 C18 C25 178.2(3) . . . . ?
N3 C17 C18 C25 -2.5(4) . . . . ?
N2 C17 C18 C19 -6.7(6) . . . . ?
N3 C17 C18 C19 172.6(3) . . . . ?
C25 C18 C19 C24 3.9(5) . . . . ?
C17 C18 C19 C24 -170.2(3) . . . . ?
C25 C18 C19 C20 -178.6(3) . . . . ?
C17 C18 C19 C20 7.3(6) . . . . ?
C24 C19 C20 C21 1.5(5) . . . . ?
C18 C19 C20 C21 -176.0(3) . . . . ?
C19 C20 C21 C22 -0.7(6) . . . . ?
C20 C21 C22 C23 -0.1(6) . . . . ?
C21 C22 C23 C24 0.1(6) . . . . ?
C22 C23 C24 C19 0.8(6) . . . . ?
C20 C19 C24 C23 -1.5(5) . . . . ?
C18 C19 C24 C23 176.1(3) . . . . ?
C17 C18 C25 C26 3.2(4) . . . . ?
C19 C18 C25 C26 -172.0(3) . . . . ?
C17 N3 C26 C25 1.4(4) . . . . ?
Co1 N3 C26 C25 -160.5(2) . . . . ?
C17 N3 C26 C27 -174.7(3) . . . . ?
Co1 N3 C26 C27 23.5(5) . . . . ?
C18 C25 C26 N3 -3.0(4) . . . . ?
C18 C25 C26 C27 172.8(3) . . . . ?
N3 C26 C27 C28 -153.3(3) . . . . ?
C25 C26 C27 C28 31.2(5) . . . . ?
N3 C26 C27 C32 28.7(5) . . . . ?
C25 C26 C27 C32 -146.7(4) . . . . ?
C32 C27 C28 C29 -0.9(5) . . . . ?
C26 C27 C28 C29 -179.0(3) . . . . ?
C27 C28 C29 C30 -0.4(6) . . . . ?
C28 C29 C30 C31 1.7(6) . . . . ?
C29 C30 C31 C32 -1.6(6) . . . . ?
C30 C31 C32 C27 0.2(6) . . . . ?
C28 C27 C32 C31 1.0(5) . . . . ?
C26 C27 C32 C31 179.1(3) . . . . ?
