#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/54/7015482.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_7015482
loop_
_publ_author_name
'Gresser, Roland'
'Hoyer, Alexander'
'Hummert, Markus'
'Hartmann, Horst'
'Leo, Karl'
'Riede, Moritz'
_publ_section_title
;
 Homoleptic Co(II), Ni(II), Cu(II), Zn(II) and Hg(II) complexes of
 bis-(phenyl)-diisoindol-aza-methene.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3476
_journal_page_last               3483
_journal_paper_doi               10.1039/c0dt01655a
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C59.5 H40 Co N6'
_chemical_formula_weight         897.91
_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-97
_cell_angle_alpha                113.080(5)
_cell_angle_beta                 99.950(5)
_cell_angle_gamma                98.860(5)
_cell_formula_units_Z            2
_cell_length_a                   12.229(5)
_cell_length_b                   13.097(5)
_cell_length_c                   16.199(5)
_cell_measurement_reflns_used    293
_cell_measurement_temperature    198(2)
_cell_measurement_theta_max      24.01
_cell_measurement_theta_min      4.13
_cell_volume                     2279.4(15)
_computing_cell_refinement       'Dirax/lsq (Duisenberg, 1992)'
_computing_data_collection       'Collect (Nonius BV, 1999)'
_computing_data_reduction        'EvalCCD (Duisenberg et al., 2003)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 - J. Appl. Cryst. (1999) 32, 115-119'
_diffrn_ambient_temperature      198(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0583
_diffrn_reflns_av_sigmaI/netI    0.0347
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            59570
_diffrn_reflns_theta_full        25.40
_diffrn_reflns_theta_max         25.40
_diffrn_reflns_theta_min         3.15
_exptl_absorpt_coefficient_mu    0.424
_exptl_absorpt_correction_T_max  0.9656
_exptl_absorpt_correction_T_min  0.9449
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS V2.10 (Sheldrick,Bruker AXS Inc.,2002)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.308
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             932
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.261
_refine_diff_density_min         -0.332
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.202
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     620
_refine_ls_number_reflns         8340
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.202
_refine_ls_R_factor_all          0.0773
_refine_ls_R_factor_gt           0.0482
_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)+(0.0235P)²+1.9676P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0938
_refine_ls_wR_factor_ref         0.1119
_reflns_number_gt                6389
_reflns_number_total             8340
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt01655a.txt
_cod_data_source_block           Co-Complex
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C59.50 H40 Co N6'
_cod_database_code               7015482
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
C57 C 1.122(2) 1.078(4) 1.121(3) 0.20(2) Uani 0.50 1 d P A -1
H57A H 1.0971 1.0647 1.1701 0.294 Uiso 0.50 1 calc PR A -1
H57B H 1.1358 1.1586 1.1368 0.294 Uiso 0.50 1 calc PR A -1
H57C H 1.1914 1.0540 1.1149 0.294 Uiso 0.50 1 calc PR A -1
C60 C 0.955(2) 0.8454(13) 0.8963(16) 0.170(11) Uani 0.50 1 d PG A -1
H60 H 0.9558 0.7714 0.8570 0.204 Uiso 0.50 1 calc PR A -1
C61 C 0.8695(18) 0.895(2) 0.8717(11) 0.20(2) Uani 0.50 1 d PG A -1
H61 H 0.8133 0.8538 0.8161 0.245 Uiso 0.50 1 calc PR A -1
C62 C 0.8680(13) 1.005(2) 0.9304(14) 0.186(18) Uani 0.50 1 d PG A -1
H62 H 0.8109 1.0382 0.9139 0.223 Uiso 0.50 1 calc PR A -1
C63 C 0.9519(15) 1.0663(13) 1.0135(12) 0.132(10) Uani 0.50 1 d PG A -1
H63 H 0.9510 1.1402 1.0527 0.158 Uiso 0.50 1 calc PR A -1
C58 C 1.0373(12) 1.0170(15) 1.0380(11) 0.124(5) Uani 0.50 1 d PG A -1
C59 C 1.0388(17) 0.9065(15) 0.9794(17) 0.160(15) Uani 0.50 1 d PG A -1
H59 H 1.0959 0.8735 0.9958 0.192 Uiso 0.50 1 calc PR A -1
C1 C 0.3398(2) 0.3592(2) 0.65961(18) 0.0331(6) Uani 1 1 d . . .
C2 C 0.2207(2) 0.3556(2) 0.62853(19) 0.0354(6) Uani 1 1 d . . .
C3 C 0.1660(3) 0.4103(3) 0.5814(2) 0.0452(7) Uani 1 1 d . . .
H3 H 0.2077 0.4592 0.5627 0.054 Uiso 1 1 calc R . .
C4 C 0.0483(3) 0.3899(3) 0.5631(3) 0.0578(9) Uani 1 1 d . . .
H4 H 0.0102 0.4245 0.5307 0.069 Uiso 1 1 calc R . .
C5 C -0.0149(3) 0.3183(3) 0.5923(3) 0.0589(9) Uani 1 1 d . . .
H5 H -0.0941 0.3071 0.5798 0.071 Uiso 1 1 calc R . .
C6 C 0.0380(2) 0.2639(3) 0.6394(2) 0.0492(8) Uani 1 1 d . . .
H6 H -0.0043 0.2173 0.6595 0.059 Uiso 1 1 calc R . .
C7 C 0.1573(2) 0.2808(2) 0.6560(2) 0.0383(6) Uani 1 1 d . . .
C8 C 0.2391(2) 0.2402(2) 0.7023(2) 0.0376(6) Uani 1 1 d . . .
C9 C 0.2140(3) 0.1550(3) 0.7382(2) 0.0461(8) Uani 1 1 d . . .
C10 C 0.2794(3) 0.1640(3) 0.8212(3) 0.0604(9) Uani 1 1 d . . .
H10 H 0.3399 0.2278 0.8575 0.072 Uiso 1 1 calc R . .
C11 C 0.2551(4) 0.0784(4) 0.8502(4) 0.0860(14) Uani 1 1 d . . .
H11 H 0.2994 0.0847 0.9056 0.103 Uiso 1 1 calc R . .
C12 C 0.1655(5) -0.0157(4) 0.7971(5) 0.1022(18) Uani 1 1 d . . .
H12 H 0.1495 -0.0729 0.8168 0.123 Uiso 1 1 calc R . .
C13 C 0.0995(4) -0.0264(4) 0.7154(4) 0.0985(17) Uani 1 1 d . . .
H13 H 0.0390 -0.0904 0.6801 0.118 Uiso 1 1 calc R . .
C14 C 0.1230(3) 0.0585(3) 0.6853(3) 0.0675(11) Uani 1 1 d . . .
H14 H 0.0780 0.0512 0.6297 0.081 Uiso 1 1 calc R . .
C15 C 0.5349(2) 0.4192(2) 0.66384(18) 0.0330(6) Uani 1 1 d . . .
C16 C 0.6230(2) 0.4935(2) 0.65052(19) 0.0358(6) Uani 1 1 d . . .
C17 C 0.6187(3) 0.5708(2) 0.6112(2) 0.0457(7) Uani 1 1 d . . .
H17 H 0.5493 0.5830 0.5882 0.055 Uiso 1 1 calc R . .
C18 C 0.7204(3) 0.6286(3) 0.6076(3) 0.0569(9) Uani 1 1 d . . .
H18 H 0.7193 0.6797 0.5808 0.068 Uiso 1 1 calc R . .
C19 C 0.8253(3) 0.6120(3) 0.6434(3) 0.0576(9) Uani 1 1 d . . .
H19 H 0.8926 0.6529 0.6403 0.069 Uiso 1 1 calc R . .
C20 C 0.8316(3) 0.5365(3) 0.6830(2) 0.0480(7) Uani 1 1 d . . .
H20 H 0.9017 0.5256 0.7062 0.058 Uiso 1 1 calc R . .
C21 C 0.7284(2) 0.4765(2) 0.68735(19) 0.0376(6) Uani 1 1 d . . .
C22 C 0.7018(2) 0.3906(2) 0.71993(19) 0.0355(6) Uani 1 1 d . . .
C23 C 0.7818(2) 0.3453(3) 0.7660(2) 0.0386(6) Uani 1 1 d . . .
C24 C 0.7570(3) 0.2319(3) 0.7522(2) 0.0505(8) Uani 1 1 d . . .
H24 H 0.6898 0.1816 0.7098 0.061 Uiso 1 1 calc R . .
C25 C 0.8316(3) 0.1929(4) 0.8010(3) 0.0695(11) Uani 1 1 d . . .
H25 H 0.8139 0.1168 0.7915 0.083 Uiso 1 1 calc R . .
C26 C 0.9315(4) 0.2663(4) 0.8631(3) 0.0811(13) Uani 1 1 d . . .
H26 H 0.9811 0.2403 0.8961 0.097 Uiso 1 1 calc R . .
C27 C 0.9580(3) 0.3780(4) 0.8764(3) 0.0741(12) Uani 1 1 d . . .
H27 H 1.0264 0.4271 0.9178 0.089 Uiso 1 1 calc R . .
C28 C 0.8846(3) 0.4187(3) 0.8290(2) 0.0527(8) Uani 1 1 d . . .
H28 H 0.9035 0.4949 0.8390 0.063 Uiso 1 1 calc R . .
C29 C 0.4969(2) 0.0407(2) 0.7664(2) 0.0384(6) Uani 1 1 d . . .
C30 C 0.4476(3) -0.0810(2) 0.7172(2) 0.0424(7) Uani 1 1 d . . .
C31 C 0.4503(3) -0.1714(3) 0.7427(3) 0.0552(8) Uani 1 1 d . . .
H31 H 0.4880 -0.1582 0.8023 0.066 Uiso 1 1 calc R . .
C32 C 0.3951(3) -0.2807(3) 0.6765(3) 0.0629(10) Uani 1 1 d . . .
H32 H 0.3948 -0.3417 0.6925 0.075 Uiso 1 1 calc R . .
C33 C 0.3398(3) -0.3025(3) 0.5864(3) 0.0600(9) Uani 1 1 d . . .
H33 H 0.3057 -0.3776 0.5431 0.072 Uiso 1 1 calc R . .
C34 C 0.3349(3) -0.2144(2) 0.5604(2) 0.0496(8) Uani 1 1 d . . .
H34 H 0.2973 -0.2289 0.5005 0.060 Uiso 1 1 calc R . .
C35 C 0.3883(2) -0.1025(2) 0.6272(2) 0.0402(7) Uani 1 1 d . . .
C36 C 0.4042(2) 0.0068(2) 0.6235(2) 0.0364(6) Uani 1 1 d . . .
C37 C 0.3576(2) 0.0320(2) 0.54567(19) 0.0375(6) Uani 1 1 d . . .
C38 C 0.4229(3) 0.1107(2) 0.5240(2) 0.0415(7) Uani 1 1 d . . .
H38 H 0.4990 0.1447 0.5570 0.050 Uiso 1 1 calc R . .
C39 C 0.3757(3) 0.1385(3) 0.4541(2) 0.0504(8) Uani 1 1 d . . .
H39 H 0.4202 0.1914 0.4407 0.060 Uiso 1 1 calc R . .
C40 C 0.2636(3) 0.0884(3) 0.4043(3) 0.0624(10) Uani 1 1 d . . .
H40 H 0.2318 0.1079 0.3577 0.075 Uiso 1 1 calc R . .
C41 C 0.1984(3) 0.0093(3) 0.4238(3) 0.0675(11) Uani 1 1 d . . .
H41 H 0.1226 -0.0251 0.3898 0.081 Uiso 1 1 calc R . .
C42 C 0.2445(3) -0.0196(3) 0.4934(2) 0.0517(8) Uani 1 1 d . . .
H42 H 0.1999 -0.0737 0.5055 0.062 Uiso 1 1 calc R . .
C43 C 0.5930(2) 0.2057(2) 0.9047(2) 0.0391(6) Uani 1 1 d . . .
C44 C 0.6661(3) 0.2585(3) 0.9977(2) 0.0429(7) Uani 1 1 d . . .
C45 C 0.7056(3) 0.2143(3) 1.0598(2) 0.0594(9) Uani 1 1 d . . .
H45 H 0.6865 0.1361 1.0433 0.071 Uiso 1 1 calc R . .
C46 C 0.7739(3) 0.2907(3) 1.1466(2) 0.0676(11) Uani 1 1 d . . .
H46 H 0.8010 0.2631 1.1890 0.081 Uiso 1 1 calc R . .
C47 C 0.8033(3) 0.4078(3) 1.1722(2) 0.0652(10) Uani 1 1 d . . .
H47 H 0.8509 0.4565 1.2307 0.078 Uiso 1 1 calc R . .
C48 C 0.7634(3) 0.4533(3) 1.1127(2) 0.0506(8) Uani 1 1 d . . .
H48 H 0.7814 0.5318 1.1308 0.061 Uiso 1 1 calc R . .
C49 C 0.6947(2) 0.3773(2) 1.0242(2) 0.0404(7) Uani 1 1 d . . .
C50 C 0.6344(2) 0.3937(2) 0.94694(19) 0.0374(6) Uani 1 1 d . . .
C51 C 0.6339(2) 0.5011(2) 0.93864(19) 0.0374(6) Uani 1 1 d . . .
C52 C 0.5345(3) 0.5199(2) 0.8967(2) 0.0431(7) Uani 1 1 d . . .
H52 H 0.4653 0.4661 0.8784 0.052 Uiso 1 1 calc R . .
C53 C 0.5369(3) 0.6171(3) 0.8819(2) 0.0550(8) Uani 1 1 d . . .
H53 H 0.4696 0.6284 0.8539 0.066 Uiso 1 1 calc R . .
C54 C 0.6386(4) 0.6970(3) 0.9084(3) 0.0675(10) Uani 1 1 d . . .
H54 H 0.6407 0.7614 0.8969 0.081 Uiso 1 1 calc R . .
C55 C 0.7372(3) 0.6813(3) 0.9518(3) 0.0706(11) Uani 1 1 d . . .
H55 H 0.8056 0.7365 0.9712 0.085 Uiso 1 1 calc R . .
C56 C 0.7360(3) 0.5849(3) 0.9671(2) 0.0523(8) Uani 1 1 d . . .
H56 H 0.8035 0.5754 0.9964 0.063 Uiso 1 1 calc R . .
N1 N 0.34661(18) 0.28826(18) 0.70561(16) 0.0345(5) Uani 1 1 d . . .
N2 N 0.58694(18) 0.35687(18) 0.70527(15) 0.0338(5) Uani 1 1 d . . .
N3 N 0.42470(18) 0.41756(18) 0.64298(15) 0.0339(5) Uani 1 1 d . . .
N4 N 0.46900(19) 0.08993(18) 0.70512(15) 0.0345(5) Uani 1 1 d . . .
N5 N 0.57456(19) 0.29236(19) 0.87765(16) 0.0365(5) Uani 1 1 d . . .
N6 N 0.5551(2) 0.0935(2) 0.85466(17) 0.0424(6) Uani 1 1 d . . .
Co1 Co 0.49550(3) 0.25783(3) 0.74865(3) 0.03321(11) 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'
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
C61 C60 C59 120.0 . . ?
C60 C61 C62 120.0 . . ?
C63 C62 C61 120.0 . . ?
C62 C63 C58 120.0 . . ?
C59 C58 C63 120.0 . . ?
C59 C58 C57 119.9(19) . . ?
C63 C58 C57 120.1(19) . . ?
C58 C59 C60 120.0 . . ?
N3 C1 N1 127.7(2) . . ?
N3 C1 C2 123.9(2) . . ?
N1 C1 C2 108.3(2) . . ?
C3 C2 C7 120.9(3) . . ?
C3 C2 C1 132.4(3) . . ?
C7 C2 C1 106.7(2) . . ?
C4 C3 C2 118.1(3) . . ?
C3 C4 C5 121.4(3) . . ?
C6 C5 C4 121.2(3) . . ?
C5 C6 C7 118.3(3) . . ?
C6 C7 C2 120.1(3) . . ?
C6 C7 C8 133.4(3) . . ?
C2 C7 C8 106.4(2) . . ?
N1 C8 C7 110.5(2) . . ?
N1 C8 C9 122.7(2) . . ?
C7 C8 C9 126.7(3) . . ?
C10 C9 C14 118.6(3) . . ?
C10 C9 C8 122.7(3) . . ?
C14 C9 C8 118.6(3) . . ?
C11 C10 C9 120.5(4) . . ?
C12 C11 C10 119.9(4) . . ?
C13 C12 C11 120.8(4) . . ?
C12 C13 C14 120.0(4) . . ?
C13 C14 C9 120.2(4) . . ?
N3 C15 N2 127.9(2) . . ?
N3 C15 C16 123.6(2) . . ?
N2 C15 C16 108.5(2) . . ?
C17 C16 C21 121.2(3) . . ?
C17 C16 C15 132.2(3) . . ?
C21 C16 C15 106.5(2) . . ?
C18 C17 C16 117.9(3) . . ?
C17 C18 C19 121.4(3) . . ?
C20 C19 C18 121.7(3) . . ?
C19 C20 C21 117.8(3) . . ?
C20 C21 C16 120.0(3) . . ?
C20 C21 C22 133.3(3) . . ?
C16 C21 C22 106.7(2) . . ?
N2 C22 C21 110.0(2) . . ?
N2 C22 C23 122.2(2) . . ?
C21 C22 C23 127.8(3) . . ?
C24 C23 C28 118.4(3) . . ?
C24 C23 C22 121.9(3) . . ?
C28 C23 C22 119.6(3) . . ?
C23 C24 C25 120.7(3) . . ?
C26 C25 C24 120.1(4) . . ?
C27 C26 C25 119.9(3) . . ?
C26 C27 C28 120.9(4) . . ?
C27 C28 C23 120.0(3) . . ?
N6 C29 N4 127.7(2) . . ?
N6 C29 C30 124.3(2) . . ?
N4 C29 C30 107.9(2) . . ?
C31 C30 C35 120.3(3) . . ?
C31 C30 C29 132.7(3) . . ?
C35 C30 C29 107.0(2) . . ?
C32 C31 C30 117.8(3) . . ?
C31 C32 C33 121.9(3) . . ?
C34 C33 C32 121.1(3) . . ?
C33 C34 C35 117.9(3) . . ?
C34 C35 C30 121.0(3) . . ?
C34 C35 C36 132.7(3) . . ?
C30 C35 C36 106.2(2) . . ?
N4 C36 C35 110.3(2) . . ?
N4 C36 C37 121.6(2) . . ?
C35 C36 C37 128.1(3) . . ?
C42 C37 C38 118.2(3) . . ?
C42 C37 C36 120.3(3) . . ?
C38 C37 C36 121.4(2) . . ?
C39 C38 C37 120.8(3) . . ?
C40 C39 C38 120.3(3) . . ?
C39 C40 C41 119.7(3) . . ?
C40 C41 C42 120.6(3) . . ?
C41 C42 C37 120.4(3) . . ?
N6 C43 N5 127.7(3) . . ?
N6 C43 C44 124.0(2) . . ?
N5 C43 C44 108.3(2) . . ?
C45 C44 C49 120.4(3) . . ?
C45 C44 C43 132.6(3) . . ?
C49 C44 C43 106.9(2) . . ?
C46 C45 C44 117.8(3) . . ?
C45 C46 C47 121.7(3) . . ?
C48 C47 C46 121.4(3) . . ?
C47 C48 C49 117.9(3) . . ?
C48 C49 C44 120.8(3) . . ?
C48 C49 C50 133.1(3) . . ?
C44 C49 C50 106.0(2) . . ?
N5 C50 C49 110.3(2) . . ?
N5 C50 C51 121.3(2) . . ?
C49 C50 C51 128.3(3) . . ?
C52 C51 C56 117.9(3) . . ?
C52 C51 C50 121.5(3) . . ?
C56 C51 C50 120.5(3) . . ?
C53 C52 C51 121.1(3) . . ?
C54 C53 C52 120.0(3) . . ?
C53 C54 C55 119.8(3) . . ?
C54 C55 C56 120.8(3) . . ?
C55 C56 C51 120.4(3) . . ?
C8 N1 C1 108.1(2) . . ?
C8 N1 Co1 130.54(18) . . ?
C1 N1 Co1 120.87(17) . . ?
C22 N2 C15 108.3(2) . . ?
C22 N2 Co1 130.30(18) . . ?
C15 N2 Co1 120.69(17) . . ?
C1 N3 C15 127.4(2) . . ?
C36 N4 C29 108.5(2) . . ?
C36 N4 Co1 128.31(17) . . ?
C29 N4 Co1 121.81(18) . . ?
C50 N5 C43 108.4(2) . . ?
C50 N5 Co1 128.72(18) . . ?
C43 N5 Co1 121.95(18) . . ?
C29 N6 C43 126.3(2) . . ?
N4 Co1 N5 93.94(9) . . ?
N4 Co1 N1 106.85(9) . . ?
N5 Co1 N1 127.42(10) . . ?
N4 Co1 N2 127.95(10) . . ?
N5 Co1 N2 109.16(9) . . ?
N1 Co1 N2 95.15(9) . . ?
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
C57 C58 1.40(3) . ?
C60 C61 1.3900 . ?
C60 C59 1.3900 . ?
C61 C62 1.3900 . ?
C62 C63 1.3900 . ?
C63 C58 1.3900 . ?
C58 C59 1.3900 . ?
C1 N3 1.323(3) . ?
C1 N1 1.403(3) . ?
C1 C2 1.443(4) . ?
C2 C3 1.394(4) . ?
C2 C7 1.409(4) . ?
C3 C4 1.380(4) . ?
C4 C5 1.396(5) . ?
C5 C6 1.381(4) . ?
C6 C7 1.403(4) . ?
C7 C8 1.436(4) . ?
C8 N1 1.350(3) . ?
C8 C9 1.464(4) . ?
C9 C10 1.392(5) . ?
C9 C14 1.400(5) . ?
C10 C11 1.387(5) . ?
C11 C12 1.374(7) . ?
C12 C13 1.369(7) . ?
C13 C14 1.390(5) . ?
C15 N3 1.326(3) . ?
C15 N2 1.402(3) . ?
C15 C16 1.440(4) . ?
C16 C17 1.395(4) . ?
C16 C21 1.412(4) . ?
C17 C18 1.375(4) . ?
C18 C19 1.399(5) . ?
C19 C20 1.379(4) . ?
C20 C21 1.408(4) . ?
C21 C22 1.436(4) . ?
C22 N2 1.355(3) . ?
C22 C23 1.462(4) . ?
C23 C24 1.387(4) . ?
C23 C28 1.401(4) . ?
C24 C25 1.390(4) . ?
C25 C26 1.373(6) . ?
C26 C27 1.368(6) . ?
C27 C28 1.382(5) . ?
C29 N6 1.323(4) . ?
C29 N4 1.404(3) . ?
C29 C30 1.442(4) . ?
C30 C31 1.403(4) . ?
C30 C35 1.406(4) . ?
C31 C32 1.380(5) . ?
C32 C33 1.393(5) . ?
C33 C34 1.380(4) . ?
C34 C35 1.401(4) . ?
C35 C36 1.441(4) . ?
C36 N4 1.344(3) . ?
C36 C37 1.469(4) . ?
C37 C42 1.394(4) . ?
C37 C38 1.396(4) . ?
C38 C39 1.383(4) . ?
C39 C40 1.374(5) . ?
C40 C41 1.378(5) . ?
C41 C42 1.383(5) . ?
C43 N6 1.325(4) . ?
C43 N5 1.402(3) . ?
C43 C44 1.440(4) . ?
C44 C45 1.399(4) . ?
C44 C49 1.409(4) . ?
C45 C46 1.382(5) . ?
C46 C47 1.391(5) . ?
C47 C48 1.378(4) . ?
C48 C49 1.400(4) . ?
C49 C50 1.447(4) . ?
C50 N5 1.344(4) . ?
C50 C51 1.466(4) . ?
C51 C52 1.392(4) . ?
C51 C56 1.400(4) . ?
C52 C53 1.383(4) . ?
C53 C54 1.374(5) . ?
C54 C55 1.374(5) . ?
C55 C56 1.376(5) . ?
N1 Co1 1.991(2) . ?
N2 Co1 1.992(2) . ?
N4 Co1 1.981(2) . ?
N5 Co1 1.983(2) . ?
