#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/98/2239819.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2239819
loop_
_publ_author_name
'Belghith, Yassine'
'Mansour, Anissa'
'Nasri, Habib'
_publ_section_title
;
 Crystal structure of
 bis(4-nitroaniline-κN¹)(5,10,15,20-tetraphenylporphyrinato-κ⁴N)cobalt(III)
 chloride dichloromethane monosolvate
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m312
_journal_page_last               m313
_journal_paper_doi               10.1107/S1600536814016274
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac
'[Co (C44 H28 N4) (C6 H6 N2 O2)2] Cl, C H2 Cl2'
_chemical_formula_moiety         'C56 Co1 H40 N8 O4 +, Cl -, C1 H2 Cl2'
_chemical_formula_sum            'C57 H42 Cl3 Co N8 O4'
_chemical_formula_weight         1068.30
_chemical_name_systematic
'Bis(4-nitroaniline-κN¹)(5,10,15,20-tetraphenylporphyrinato-κ⁴N)cobalt(III) chloride dichloromethane monosolvate'
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/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                 95.604(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.3527(9)
_cell_length_b                   12.4492(10)
_cell_length_c                   14.8935(14)
_cell_measurement_reflns_used    22812
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.02
_cell_measurement_theta_min      2.95
_cell_volume                     2463.9(3)
_computing_cell_refinement       'SAINT (Bruker, 2006)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT (Bruker, 2006)'
_computing_molecular_graphics
'ORTEPIII (Burnett & Johnson, 1996) and ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla et al., 2005)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_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  0.0383
_diffrn_reflns_av_sigmaI/netI    0.0360
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            20514
_diffrn_reflns_theta_full        26.02
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         3.01
_diffrn_standards_number         4853
_exptl_absorpt_coefficient_mu    0.569
_exptl_absorpt_correction_T_max  0.939
_exptl_absorpt_correction_T_min  0.819
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2006)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.440
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1100
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.626
_refine_diff_density_min         -0.959
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     338
_refine_ls_number_reflns         4853
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0483
_refine_ls_R_factor_gt           0.0388
_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)+(0.0370P)²+2.4863P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0912
_refine_ls_wR_factor_ref         0.0967
_reflns_number_gt                4083
_reflns_number_total             4853
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            xu5802sup1.cf
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     '-P 2yC'
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_original_formula_sum        'C57 H42 Cl3 Co1 N8 O4'
_cod_database_code               2239819
_cod_database_fobs_code          2239819
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
Co Co1 0.0000 0.0000 0.5000 0.01228(11) Uani d S 1 2
N N1 0.02932(12) -0.15405(13) 0.48224(11) 0.0141(4) Uani d . 1 1
N N2 -0.14475(12) -0.03522(14) 0.50284(11) 0.0151(4) Uani d . 1 1
N N3 0.01549(13) -0.01847(15) 0.63444(12) 0.0163(4) Uani d . 1 1
H H3A -0.034(2) -0.061(3) 0.640(2) 0.050 Uiso d . 1 1
H H3B 0.007(2) 0.046(3) 0.656(2) 0.050 Uiso d . 1 1
N N4 0.37671(17) -0.1997(2) 0.79687(15) 0.0439(6) Uani d . 1 1
O O1 0.44300(15) -0.1385(2) 0.82761(14) 0.0564(6) Uani d . 1 1
O O2 0.38324(17) -0.2986(2) 0.79970(15) 0.0616(7) Uani d . 1 1
C C1 -0.03818(15) -0.23849(16) 0.47479(13) 0.0161(4) Uani d . 1 1
C C2 -0.14203(15) -0.23050(17) 0.47355(14) 0.0170(4) Uani d . 1 1
C C3 -0.19067(15) -0.13424(17) 0.48748(14) 0.0164(4) Uani d . 1 1
C C4 -0.29731(16) -0.12384(18) 0.48996(15) 0.0218(5) Uani d . 1 1
H H4 -0.3456 -0.1796 0.4797 0.026 Uiso calc R 1 1
C C5 -0.31655(16) -0.02085(18) 0.50949(15) 0.0215(5) Uani d . 1 1
H H5 -0.3805 0.0090 0.5176 0.026 Uiso calc R 1 1
C C6 -0.22209(15) 0.03581(17) 0.51590(14) 0.0160(4) Uani d . 1 1
C C7 -0.21196(15) 0.14533(17) 0.53055(14) 0.0168(4) Uani d . 1 1
C C8 -0.12188(15) 0.19990(17) 0.52819(14) 0.0163(4) Uani d . 1 1
C C9 -0.11209(16) 0.31445(17) 0.53702(15) 0.0206(5) Uani d . 1 1
H H9 -0.1649 0.3642 0.5434 0.025 Uiso calc R 1 1
C C10 -0.01374(16) 0.33815(17) 0.53458(15) 0.0200(5) Uani d . 1 1
H H10 0.0156 0.4077 0.5384 0.024 Uiso calc R 1 1
C C11 -0.20377(15) -0.32921(17) 0.45060(15) 0.0188(4) Uani d . 1 1
C C12 -0.25842(16) -0.38074(18) 0.51311(16) 0.0236(5) Uani d . 1 1
H H12 -0.2578 -0.3531 0.5726 0.028 Uiso calc R 1 1
C C13 -0.31392(17) -0.47253(19) 0.48862(19) 0.0305(6) Uani d . 1 1
H H13 -0.3504 -0.5076 0.5318 0.037 Uiso calc R 1 1
C C14 -0.31641(18) -0.51302(19) 0.40228(19) 0.0321(6) Uani d . 1 1
H H14 -0.3542 -0.5759 0.3861 0.038 Uiso calc R 1 1
C C15 -0.26382(18) -0.46183(19) 0.33937(18) 0.0313(6) Uani d . 1 1
H H15 -0.2661 -0.4890 0.2796 0.038 Uiso calc R 1 1
C C16 -0.20733(17) -0.37009(18) 0.36355(16) 0.0253(5) Uani d . 1 1
H H16 -0.1710 -0.3353 0.3201 0.030 Uiso calc R 1 1
C C17 -0.30262(15) 0.20696(16) 0.55320(14) 0.0172(4) Uani d . 1 1
C C18 -0.38252(15) 0.22896(18) 0.48905(15) 0.0203(5) Uani d . 1 1
H H18 -0.3799 0.2061 0.4285 0.024 Uiso calc R 1 1
C C19 -0.46643(16) 0.28433(18) 0.51305(16) 0.0232(5) Uani d . 1 1
H H19 -0.5203 0.3001 0.4685 0.028 Uiso calc R 1 1
C C20 -0.47187(16) 0.31632(19) 0.60080(17) 0.0267(5) Uani d . 1 1
H H20 -0.5298 0.3531 0.6171 0.032 Uiso calc R 1 1
C C21 -0.39250(18) 0.2947(2) 0.66542(17) 0.0313(6) Uani d . 1 1
H H21 -0.3961 0.3163 0.7262 0.038 Uiso calc R 1 1
C C22 -0.30775(17) 0.24141(19) 0.64141(16) 0.0262(5) Uani d . 1 1
H H22 -0.2528 0.2284 0.6856 0.031 Uiso calc R 1 1
C C23 0.10649(15) -0.06513(17) 0.67693(13) 0.0179(4) Uani d . 1 1
C C24 0.11492(17) -0.17626(19) 0.68680(15) 0.0232(5) Uani d . 1 1
H H24 0.0600 -0.2215 0.6668 0.028 Uiso calc R 1 1
C C25 0.20399(19) -0.2201(2) 0.72605(16) 0.0311(6) Uani d . 1 1
H H25 0.2110 -0.2957 0.7331 0.037 Uiso calc R 1 1
C C26 0.28217(18) -0.1523(2) 0.75473(15) 0.0307(6) Uani d . 1 1
C C27 0.27532(17) -0.0420(2) 0.74682(16) 0.0304(6) Uani d . 1 1
H H27 0.3302 0.0028 0.7679 0.036 Uiso calc R 1 1
C C28 0.18596(17) 0.00184(19) 0.70711(15) 0.0237(5) Uani d . 1 1
H H28 0.1793 0.0775 0.7006 0.028 Uiso calc R 1 1
Cl Cl2 0.0000 0.19408(6) 0.7500 0.02607(19) Uani d S 1 2
Cl Cl1 -0.07442(8) 0.55949(7) 0.67168(6) 0.0712(3) Uani d . 1 1
C C29 0.0000 0.4862(4) 0.7500 0.0670(15) Uani d S 1 2
H H29A -0.0441 0.4391 0.7825 0.080 Uiso calc PR 0.50 1
H H29B 0.0441 0.4391 0.7175 0.080 Uiso calc PR 0.50 1
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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
N1 Co1 N1 3_556 . 180.0
N1 Co1 N2 3_556 3_556 89.69(7)
N1 Co1 N2 . 3_556 90.31(7)
N1 Co1 N2 3_556 . 90.31(7)
N1 Co1 N2 . . 89.69(7)
N2 Co1 N2 3_556 . 180.0
N1 Co1 N3 3_556 3_556 91.14(7)
N1 Co1 N3 . 3_556 88.86(7)
N2 Co1 N3 3_556 3_556 87.66(7)
N2 Co1 N3 . 3_556 92.34(7)
N1 Co1 N3 3_556 . 88.86(7)
N1 Co1 N3 . . 91.14(7)
N2 Co1 N3 3_556 . 92.34(7)
N2 Co1 N3 . . 87.66(7)
N3 Co1 N3 3_556 . 180.000(15)
C1 N1 C8 . 3_556 105.06(16)
C1 N1 Co1 . . 127.70(13)
C8 N1 Co1 3_556 . 127.22(14)
C3 N2 C6 . . 105.46(16)
C3 N2 Co1 . . 127.49(13)
C6 N2 Co1 . . 126.97(14)
C23 N3 Co1 . . 119.10(13)
C23 N3 H3A . . 110(2)
Co1 N3 H3A . . 100(2)
C23 N3 H3B . . 111(2)
Co1 N3 H3B . . 105(2)
H3A N3 H3B . . 113(3)
O1 N4 O2 . . 124.2(2)
O1 N4 C26 . . 117.9(3)
O2 N4 C26 . . 117.9(3)
N1 C1 C2 . . 126.09(19)
N1 C1 C10 . 3_556 110.37(17)
C2 C1 C10 . 3_556 123.51(19)
C3 C2 C1 . . 122.76(19)
C3 C2 C11 . . 119.10(17)
C1 C2 C11 . . 118.04(18)
C2 C3 N2 . . 125.91(18)
C2 C3 C4 . . 124.20(19)
N2 C3 C4 . . 109.87(18)
C5 C4 C3 . . 107.63(19)
C5 C4 H4 . . 126.2
C3 C4 H4 . . 126.2
C4 C5 C6 . . 107.25(18)
C4 C5 H5 . . 126.4
C6 C5 H5 . . 126.4
C7 C6 N2 . . 125.92(18)
C7 C6 C5 . . 124.32(19)
N2 C6 C5 . . 109.74(18)
C6 C7 C8 . . 123.40(19)
C6 C7 C17 . . 118.07(18)
C8 C7 C17 . . 118.49(19)
C7 C8 N1 . 3_556 126.01(19)
C7 C8 C9 . . 123.79(19)
N1 C8 C9 3_556 . 110.20(18)
C10 C9 C8 . . 107.13(19)
C10 C9 H9 . . 126.4
C8 C9 H9 . . 126.4
C9 C10 C1 . 3_556 107.11(19)
C9 C10 H10 . . 126.4
C1 C10 H10 3_556 . 126.4
C16 C11 C12 . . 118.8(2)
C16 C11 C2 . . 118.72(19)
C12 C11 C2 . . 122.5(2)
C13 C12 C11 . . 120.2(2)
C13 C12 H12 . . 119.9
C11 C12 H12 . . 119.9
C14 C13 C12 . . 120.6(2)
C14 C13 H13 . . 119.7
C12 C13 H13 . . 119.7
C13 C14 C15 . . 119.8(2)
C13 C14 H14 . . 120.1
C15 C14 H14 . . 120.1
C14 C15 C16 . . 120.0(2)
C14 C15 H15 . . 120.0
C16 C15 H15 . . 120.0
C11 C16 C15 . . 120.6(2)
C11 C16 H16 . . 119.7
C15 C16 H16 . . 119.7
C22 C17 C18 . . 118.96(19)
C22 C17 C7 . . 119.08(19)
C18 C17 C7 . . 121.95(19)
C17 C18 C19 . . 120.3(2)
C17 C18 H18 . . 119.8
C19 C18 H18 . . 119.8
C20 C19 C18 . . 120.4(2)
C20 C19 H19 . . 119.8
C18 C19 H19 . . 119.8
C19 C20 C21 . . 119.7(2)
C19 C20 H20 . . 120.1
C21 C20 H20 . . 120.1
C22 C21 C20 . . 120.1(2)
C22 C21 H21 . . 120.0
C20 C21 H21 . . 120.0
C17 C22 C21 . . 120.5(2)
C17 C22 H22 . . 119.8
C21 C22 H22 . . 119.8
C28 C23 C24 . . 120.7(2)
C28 C23 N3 . . 119.1(2)
C24 C23 N3 . . 120.2(2)
C25 C24 C23 . . 119.5(2)
C25 C24 H24 . . 120.2
C23 C24 H24 . . 120.2
C26 C25 C24 . . 118.8(2)
C26 C25 H25 . . 120.6
C24 C25 H25 . . 120.6
C25 C26 C27 . . 122.8(2)
C25 C26 N4 . . 118.5(2)
C27 C26 N4 . . 118.7(2)
C26 C27 C28 . . 118.3(2)
C26 C27 H27 . . 120.9
C28 C27 H27 . . 120.9
C23 C28 C27 . . 119.9(2)
C23 C28 H28 . . 120.0
C27 C28 H28 . . 120.0
Cl1 C29 Cl1 2_556 . 115.8(3)
Cl1 C29 H29A 2_556 . 108.3
Cl1 C29 H29A . . 108.3
Cl1 C29 H29B 2_556 . 108.3
Cl1 C29 H29B . . 108.3
H29A C29 H29B . . 107.4
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Co1 N1 3_556 1.9802(17)
Co1 N1 . 1.9802(17)
Co1 N2 3_556 1.9863(16)
Co1 N2 . 1.9863(16)
Co1 N3 3_556 2.0060(17)
Co1 N3 . 2.0060(17)
N1 C1 . 1.382(3)
N1 C8 3_556 1.384(3)
N2 C3 . 1.386(3)
N2 C6 . 1.388(3)
N3 C23 . 1.437(3)
N3 H3A . 0.86(3)
N3 H3B . 0.87(3)
N4 O1 . 1.223(3)
N4 O2 . 1.234(4)
N4 C26 . 1.477(3)
C1 C2 . 1.389(3)
C1 C10 3_556 1.435(3)
C2 C3 . 1.388(3)
C2 C11 . 1.500(3)
C3 C4 . 1.434(3)
C4 C5 . 1.345(3)
C4 H4 . 0.9500
C5 C6 . 1.440(3)
C5 H5 . 0.9500
C6 C7 . 1.385(3)
C7 C8 . 1.385(3)
C7 C17 . 1.499(3)
C8 N1 3_556 1.384(3)
C8 C9 . 1.437(3)
C9 C10 . 1.350(3)
C9 H9 . 0.9500
C10 C1 3_556 1.435(3)
C10 H10 . 0.9500
C11 C16 . 1.389(3)
C11 C12 . 1.394(3)
C12 C13 . 1.391(3)
C12 H12 . 0.9500
C13 C14 . 1.379(4)
C13 H13 . 0.9500
C14 C15 . 1.380(4)
C14 H14 . 0.9500
C15 C16 . 1.396(3)
C15 H15 . 0.9500
C16 H16 . 0.9500
C17 C22 . 1.390(3)
C17 C18 . 1.388(3)
C18 C19 . 1.392(3)
C18 H18 . 0.9500
C19 C20 . 1.375(3)
C19 H19 . 0.9500
C20 C21 . 1.387(3)
C20 H20 . 0.9500
C21 C22 . 1.388(3)
C21 H21 . 0.9500
C22 H22 . 0.9500
C23 C28 . 1.389(3)
C23 C24 . 1.395(3)
C24 C25 . 1.385(3)
C24 H24 . 0.9500
C25 C26 . 1.378(4)
C25 H25 . 0.9500
C26 C27 . 1.380(4)
C27 C28 . 1.391(3)
C27 H27 . 0.9500
C28 H28 . 0.9500
Cl1 C29 . 1.719(3)
C29 Cl1 2_556 1.719(3)
C29 H29A . 0.9900
C29 H29B . 0.9900
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
N3 H3B Cl2 1_555 0.88(4) 2.32(3) 3.174(2) 164(3)
C13 H13 Cg8 1_545 0.95 3.00 3.723(3) 134
C20 H20 Cg7 3_456 0.95 2.94 3.788(2) 150
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
N1 Co1 N1 C1 3_556 . 3E1(10)
N2 Co1 N1 C1 3_556 . -178.83(17)
N2 Co1 N1 C1 . . 1.17(17)
N3 Co1 N1 C1 3_556 . -91.18(17)
N3 Co1 N1 C1 . . 88.82(17)
N1 Co1 N1 C8 3_556 3_556 -15E1(10)
N2 Co1 N1 C8 3_556 3_556 -1.01(17)
N2 Co1 N1 C8 . 3_556 178.99(17)
N3 Co1 N1 C8 3_556 3_556 86.64(17)
N3 Co1 N1 C8 . 3_556 -93.36(17)
N1 Co1 N2 C3 3_556 . 174.74(17)
N1 Co1 N2 C3 . . -5.26(17)
N2 Co1 N2 C3 3_556 . -10(11)
N3 Co1 N2 C3 3_556 . 83.59(17)
N3 Co1 N2 C3 . . -96.41(17)
N1 Co1 N2 C6 3_556 . -1.48(17)
N1 Co1 N2 C6 . . 178.52(17)
N2 Co1 N2 C6 3_556 . 173(11)
N3 Co1 N2 C6 3_556 . -92.63(17)
N3 Co1 N2 C6 . . 87.37(17)
N1 Co1 N3 C23 3_556 . -125.89(16)
N1 Co1 N3 C23 . . 54.11(16)
N2 Co1 N3 C23 3_556 . -36.25(16)
N2 Co1 N3 C23 . . 143.75(16)
N3 Co1 N3 C23 3_556 . 9E1(3)
C8 N1 C1 C2 3_556 . -174.5(2)
Co1 N1 C1 C2 . . 3.7(3)
C8 N1 C1 C10 3_556 3_556 3.7(2)
Co1 N1 C1 C10 . 3_556 -178.12(14)
N1 C1 C2 C3 . . -5.6(3)
C10 C1 C2 C3 3_556 . 176.5(2)
N1 C1 C2 C11 . . 170.66(19)
C10 C1 C2 C11 3_556 . -7.3(3)
C1 C2 C3 N2 . . 0.9(3)
C11 C2 C3 N2 . . -175.24(19)
C1 C2 C3 C4 . . -177.6(2)
C11 C2 C3 C4 . . 6.2(3)
C6 N2 C3 C2 . . -178.0(2)
Co1 N2 C3 C2 . . 5.2(3)
C6 N2 C3 C4 . . 0.7(2)
Co1 N2 C3 C4 . . -176.13(14)
C2 C3 C4 C5 . . 176.8(2)
N2 C3 C4 C5 . . -2.0(3)
C3 C4 C5 C6 . . 2.3(3)
C3 N2 C6 C7 . . -177.7(2)
Co1 N2 C6 C7 . . -0.8(3)
C3 N2 C6 C5 . . 0.7(2)
Co1 N2 C6 C5 . . 177.58(14)
C4 C5 C6 C7 . . 176.5(2)
C4 C5 C6 N2 . . -1.9(3)
N2 C6 C7 C8 . . 4.4(3)
C5 C6 C7 C8 . . -173.8(2)
N2 C6 C7 C17 . . -173.47(19)
C5 C6 C7 C17 . . 8.3(3)
C6 C7 C8 N1 . 3_556 -4.9(3)
C17 C7 C8 N1 . 3_556 172.92(19)
C6 C7 C8 C9 . . 175.5(2)
C17 C7 C8 C9 . . -6.7(3)
C7 C8 C9 C10 . . 178.0(2)
N1 C8 C9 C10 3_556 . -1.7(2)
C8 C9 C10 C1 . 3_556 -0.6(2)
C3 C2 C11 C16 . . 108.9(2)
C1 C2 C11 C16 . . -67.5(3)
C3 C2 C11 C12 . . -70.5(3)
C1 C2 C11 C12 . . 113.2(2)
C16 C11 C12 C13 . . 1.1(3)
C2 C11 C12 C13 . . -179.5(2)
C11 C12 C13 C14 . . -0.6(3)
C12 C13 C14 C15 . . -0.3(4)
C13 C14 C15 C16 . . 0.8(4)
C12 C11 C16 C15 . . -0.7(3)
C2 C11 C16 C15 . . 180.0(2)
C14 C15 C16 C11 . . -0.3(4)
C6 C7 C17 C22 . . 105.9(2)
C8 C7 C17 C22 . . -72.1(3)
C6 C7 C17 C18 . . -72.9(3)
C8 C7 C17 C18 . . 109.1(2)
C22 C17 C18 C19 . . -0.2(3)
C7 C17 C18 C19 . . 178.6(2)
C17 C18 C19 C20 . . -1.1(3)
C18 C19 C20 C21 . . 1.0(4)
C19 C20 C21 C22 . . 0.3(4)
C18 C17 C22 C21 . . 1.6(3)
C7 C17 C22 C21 . . -177.3(2)
C20 C21 C22 C17 . . -1.6(4)
Co1 N3 C23 C28 . . 91.4(2)
Co1 N3 C23 C24 . . -88.0(2)
C28 C23 C24 C25 . . -0.8(3)
N3 C23 C24 C25 . . 178.53(19)
C23 C24 C25 C26 . . 0.2(3)
C24 C25 C26 C27 . . 0.6(4)
C24 C25 C26 N4 . . 179.7(2)
O1 N4 C26 C25 . . -175.1(2)
O2 N4 C26 C25 . . 4.1(3)
O1 N4 C26 C27 . . 4.0(3)
O2 N4 C26 C27 . . -176.8(2)
C25 C26 C27 C28 . . -0.9(4)
N4 C26 C27 C28 . . -179.9(2)
C24 C23 C28 C27 . . 0.6(3)
N3 C23 C28 C27 . . -178.75(19)
C26 C27 C28 C23 . . 0.2(3)
