#------------------------------------------------------------------------------
#$Date: 2016-03-26 12:50:16 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180216 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/02/7110297.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_7110297
loop_
_publ_author_name
'Harvey, John D.'
'Ziegler, Christopher J.'
_publ_section_title
;
 Dianionic and trianionic macrocycles in cobalt N-confused porphyrin
 complexesElectronic supplementary information (ESI) available: Absorption
 spectra for 1, 2 and 4. See http://www.rsc.org/suppdata/cc/b4/b404261a/
;
_journal_issue                   14
_journal_name_full               'Chemical Communications'
_journal_page_first              1666
_journal_page_last               1667
_journal_paper_doi               10.1039/b404261a
_journal_year                    2004
_chemical_formula_sum            'C54 H38 Co N6'
_chemical_formula_weight         908.93
_chemical_name_common
;(5,10,15,20-tetraphenyl-2-aza-21-carba-
porphyrinato)(bispyridine)cobalt(iii)
;
_chemical_name_systematic
;
(5,10,15,20-tetraphenyl-2-aza-21-carba-porphyrinato)(bispyridine)cobalt(III)
;
_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                112.333(4)
_cell_angle_beta                 96.324(5)
_cell_angle_gamma                91.474(5)
_cell_formula_units_Z            2
_cell_length_a                   10.664(3)
_cell_length_b                   14.584(4)
_cell_length_c                   16.371(5)
_cell_measurement_reflns_used    8387
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.26
_cell_measurement_theta_min      2.36
_cell_volume                     2334.4(12)
_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 0.986
_diffrn_measured_fraction_theta_max 0.986
_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  0.0263
_diffrn_reflns_av_sigmaI/netI    0.0387
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            18117
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.36
_exptl_absorpt_coefficient_mu    0.416
_exptl_absorpt_correction_T_max  0.9603
_exptl_absorpt_correction_T_min  0.7457
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.293
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             946
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         4.768
_refine_diff_density_min         -0.417
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.958
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     553
_refine_ls_number_reflns         9037
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.958
_refine_ls_R_factor_all          0.0904
_refine_ls_R_factor_gt           0.0808
_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)+(0.1450P)²+5.4283P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2210
_refine_ls_wR_factor_ref         0.2295
_reflns_number_gt                7396
_reflns_number_total             9037
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b404261asup1.cif
_cod_data_source_block           Co(NCTPP)(py)2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7110297
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
C1 C 0.7681(3) 0.5935(3) 0.0704(2) 0.0274(7) Uani 1 1 d .
C2 C 0.8693(3) 0.6101(3) 0.1448(3) 0.0327(8) Uani 1 1 d .
H2 H 0.9491 0.6425 0.1541 0.039 Uiso 1 1 calc R
C3 C 0.8204(3) 0.5677(3) 0.1970(2) 0.0273(7) Uani 1 1 d .
H3 H 0.8619 0.5657 0.2492 0.033 Uiso 1 1 calc R
C4 C 0.6942(3) 0.5267(3) 0.1575(2) 0.0286(7) Uani 1 1 d .
C5 C 0.6186(3) 0.4798(3) 0.1961(2) 0.0309(8) Uani 1 1 d .
C6 C 0.4962(3) 0.4389(3) 0.1568(2) 0.0305(7) Uani 1 1 d .
C7 C 0.4183(4) 0.3874(3) 0.1941(3) 0.0364(8) Uani 1 1 d .
H7 H 0.4391 0.3776 0.2468 0.044 Uiso 1 1 calc R
C8 C 0.3090(4) 0.3557(3) 0.1385(3) 0.0348(8) Uani 1 1 d .
H8 H 0.2413 0.3185 0.1449 0.042 Uiso 1 1 calc R
C9 C 0.3162(3) 0.3900(3) 0.0675(2) 0.0300(7) Uani 1 1 d .
C10 C 0.2200(3) 0.3725(3) -0.0015(2) 0.0300(7) Uani 1 1 d .
C11 C 0.6674(3) 0.4722(3) 0.2819(3) 0.0347(8) Uani 1 1 d .
C12 C 0.6593(4) 0.5488(3) 0.3622(3) 0.0430(9) Uani 1 1 d .
H12 H 0.6258 0.6072 0.3626 0.052 Uiso 1 1 calc R
C13 C 0.7003(4) 0.5408(4) 0.4426(3) 0.0482(11) Uani 1 1 d .
H13 H 0.6922 0.5928 0.4961 0.058 Uiso 1 1 calc R
C14 C 0.7525(4) 0.4562(4) 0.4429(3) 0.0476(11) Uani 1 1 d .
H14 H 0.7827 0.4515 0.4966 0.057 Uiso 1 1 calc R
C15 C 0.7603(4) 0.3780(4) 0.3635(4) 0.0516(12) Uani 1 1 d .
H15 H 0.7935 0.3198 0.3639 0.062 Uiso 1 1 calc R
C16 C 0.7190(4) 0.3854(3) 0.2829(3) 0.0405(9) Uani 1 1 d .
H16 H 0.7256 0.3326 0.2297 0.049 Uiso 1 1 calc R
C17 C 0.1008(4) 0.3148(3) -0.0022(2) 0.0351(8) Uani 1 1 d .
C18 C 0.0062(4) 0.3635(4) 0.0467(3) 0.0477(11) Uani 1 1 d .
H18 H 0.0151 0.4321 0.0771 0.057 Uiso 1 1 calc R
C19 C -0.1004(5) 0.3103(5) 0.0500(4) 0.0681(16) Uani 1 1 d .
H19 H -0.1631 0.3432 0.0828 0.082 Uiso 1 1 calc R
C20 C -0.1142(5) 0.2104(6) 0.0058(5) 0.078(2) Uani 1 1 d .
H20 H -0.1861 0.1750 0.0090 0.093 Uiso 1 1 calc R
C21 C -0.0236(6) 0.1608(5) -0.0436(4) 0.0733(18) Uani 1 1 d .
H21 H -0.0348 0.0923 -0.0745 0.088 Uiso 1 1 calc R
C22 C 0.0863(5) 0.2132(4) -0.0476(3) 0.0528(12) Uani 1 1 d .
H22 H 0.1485 0.1798 -0.0805 0.063 Uiso 1 1 calc R
C23 C 0.4946(4) 0.7157(3) 0.0820(3) 0.0365(8) Uani 1 1 d .
H23 H 0.5703 0.7151 0.0586 0.044 Uiso 1 1 calc R
C24 C 0.4497(4) 0.8066(3) 0.1297(3) 0.0412(9) Uani 1 1 d .
H24 H 0.4948 0.8653 0.1375 0.049 Uiso 1 1 calc R
C25 C 0.3398(4) 0.8096(3) 0.1651(3) 0.0412(9) Uani 1 1 d .
H25 H 0.3089 0.8700 0.1976 0.049 Uiso 1 1 calc R
C26 C 0.2748(4) 0.7205(3) 0.1515(3) 0.0452(10) Uani 1 1 d .
H26 H 0.1995 0.7202 0.1752 0.054 Uiso 1 1 calc R
C27 C 0.3232(4) 0.6317(3) 0.1022(3) 0.0359(8) Uani 1 1 d .
H27 H 0.2781 0.5723 0.0924 0.043 Uiso 1 1 calc R
C28 C 0.2725(3) -0.0032(3) 0.3700(2) 0.0289(7) Uani 1 1 d .
C29 C 0.3051(3) 0.0890(3) 0.3686(2) 0.0308(8) Uani 1 1 d .
C30 C 0.4155(3) 0.1450(3) 0.4165(2) 0.0292(7) Uani 1 1 d .
C31 C 0.4527(4) 0.2412(3) 0.4162(3) 0.0348(8) Uani 1 1 d .
H31 H 0.4102 0.2731 0.3831 0.042 Uiso 1 1 calc R
C32 C 0.5604(4) 0.2757(3) 0.4731(3) 0.0341(8) Uani 1 1 d .
H32 H 0.6055 0.3362 0.4866 0.041 Uiso 1 1 calc R
C33 C 0.5933(3) 0.2026(3) 0.5092(2) 0.0297(7) Uani 1 1 d .
C34 C 0.6999(3) 0.2135(3) 0.5696(2) 0.0307(8) Uani 1 1 d .
C35 C 0.7301(3) 0.1407(3) 0.6032(2) 0.0305(7) Uani 1 1 d .
C36 C 0.8451(3) 0.1458(3) 0.6606(2) 0.0315(8) Uani 1 1 d .
H36 H 0.9080 0.1977 0.6825 0.038 Uiso 1 1 calc R
C37 C 0.8448(3) 0.0620(3) 0.6769(2) 0.0312(8) Uani 1 1 d .
H37 H 0.9076 0.0448 0.7115 0.037 Uiso 1 1 calc R
C38 C 0.2169(4) 0.1320(3) 0.3175(3) 0.0382(9) Uani 1 1 d .
C39 C 0.2068(5) 0.1007(3) 0.2259(3) 0.0528(12) Uani 1 1 d .
H39 H 0.2549 0.0505 0.1935 0.063 Uiso 1 1 calc R
C40 C 0.1232(6) 0.1454(5) 0.1822(4) 0.0751(19) Uani 1 1 d .
H40 H 0.1143 0.1244 0.1205 0.090 Uiso 1 1 calc R
C41 C 0.0535(6) 0.2221(5) 0.2326(6) 0.087(2) Uani 1 1 d .
H41 H -0.0021 0.2515 0.2037 0.105 Uiso 1 1 calc R
C42 C 0.0649(6) 0.2545(5) 0.3227(5) 0.0768(18) Uani 1 1 d .
H42 H 0.0192 0.3065 0.3553 0.092 Uiso 1 1 calc R
C43 C 0.1452(5) 0.2093(4) 0.3653(4) 0.0573(13) Uani 1 1 d .
H43 H 0.1521 0.2304 0.4270 0.069 Uiso 1 1 calc R
C44 C 0.7898(3) 0.3032(3) 0.5958(3) 0.0328(8) Uani 1 1 d .
C45 C 0.8993(4) 0.2969(3) 0.5555(3) 0.0389(9) Uani 1 1 d .
H45 H 0.9157 0.2368 0.5120 0.047 Uiso 1 1 calc R
C46 C 0.9837(4) 0.3789(3) 0.5793(3) 0.0452(10) Uani 1 1 d .
H46 H 1.0565 0.3736 0.5519 0.054 Uiso 1 1 calc R
C47 C 0.9611(4) 0.4682(3) 0.6433(3) 0.0432(10) Uani 1 1 d .
H47 H 1.0179 0.5234 0.6588 0.052 Uiso 1 1 calc R
C48 C 0.8539(5) 0.4753(3) 0.6842(3) 0.0496(11) Uani 1 1 d .
H48 H 0.8389 0.5355 0.7280 0.059 Uiso 1 1 calc R
C49 C 0.7673(4) 0.3932(3) 0.6607(3) 0.0430(10) Uani 1 1 d .
H49 H 0.6947 0.3989 0.6884 0.052 Uiso 1 1 calc R
C50 C 0.5834(4) -0.1622(3) 0.3513(3) 0.0338(8) Uani 1 1 d .
H50 H 0.5092 -0.1958 0.3532 0.041 Uiso 1 1 calc R
C51 C 0.6652(4) -0.2131(3) 0.2926(3) 0.0410(9) Uani 1 1 d .
H51 H 0.6466 -0.2800 0.2566 0.049 Uiso 1 1 calc R
C52 C 0.7756(4) -0.1635(3) 0.2879(3) 0.0462(10) Uani 1 1 d .
H52 H 0.8328 -0.1964 0.2496 0.055 Uiso 1 1 calc R
C53 C 0.7977(5) -0.0646(4) 0.3415(3) 0.0527(12) Uani 1 1 d .
H53 H 0.8701 -0.0291 0.3393 0.063 Uiso 1 1 calc R
C54 C 0.7118(4) -0.0177(3) 0.3988(3) 0.0413(9) Uani 1 1 d .
H54 H 0.7273 0.0497 0.4339 0.050 Uiso 1 1 calc R
Co1 Co 0.5000 0.5000 0.0000 0.0257(2) Uani 1 2 d S
Co2 Co 0.5000 0.0000 0.5000 0.02471(19) Uani 1 2 d S
N1 N 0.6622(3) 0.5427(2) 0.0796(2) 0.0300(6) Uani 1 1 d .
N2 N 0.4334(3) 0.4406(2) 0.0794(2) 0.0292(6) Uani 1 1 d .
N3 N 0.4325(3) 0.6283(2) 0.06811(19) 0.0288(6) Uani 1 1 d .
N4 N 0.3418(3) -0.0522(2) 0.4153(2) 0.0297(6) Uani 1 1 d .
N5 N 0.5041(3) 0.1215(2) 0.4733(2) 0.0288(6) Uani 1 1 d .
N6 N 0.6069(3) -0.0661(2) 0.40556(19) 0.0277(6) 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
N1 C1 C10 126.1(3) . 2_665
N1 C1 C2 110.7(3) . .
C10 C1 C2 123.2(3) 2_665 .
C3 C2 C1 105.0(3) . .
C2 C3 C4 108.5(3) . .
C5 C4 N1 127.2(3) . .
C5 C4 C3 122.2(3) . .
N1 C4 C3 110.6(3) . .
C4 C5 C6 122.0(3) . .
C4 C5 C11 119.9(3) . .
C6 C5 C11 118.1(3) . .
N2 C6 C5 126.8(3) . .
N2 C6 C7 110.4(3) . .
C5 C6 C7 122.8(3) . .
C8 C7 C6 107.1(3) . .
C7 C8 C9 107.4(3) . .
C10 C9 N2 126.7(3) . .
C10 C9 C8 123.7(3) . .
N2 C9 C8 109.6(3) . .
C9 C10 C1 121.8(3) . 2_665
C9 C10 C17 118.1(3) . .
C1 C10 C17 120.1(3) 2_665 .
C12 C11 C16 118.3(4) . .
C12 C11 C5 121.1(4) . .
C16 C11 C5 120.6(4) . .
C11 C12 C13 121.4(4) . .
C14 C13 C12 119.9(5) . .
C13 C14 C15 119.9(4) . .
C14 C15 C16 120.5(4) . .
C15 C16 C11 120.0(4) . .
C22 C17 C18 119.4(4) . .
C22 C17 C10 120.5(4) . .
C18 C17 C10 120.0(4) . .
C19 C18 C17 120.2(5) . .
C20 C19 C18 120.2(6) . .
C19 C20 C21 120.8(5) . .
C20 C21 C22 120.0(6) . .
C17 C22 C21 119.3(5) . .
N3 C23 C24 122.5(4) . .
C25 C24 C23 120.0(4) . .
C24 C25 C26 118.3(4) . .
C27 C26 C25 119.3(4) . .
N3 C27 C26 122.6(4) . .
N4 C28 C29 126.8(3) . .
N4 C28 C37 110.0(3) . 2_656
C29 C28 C37 123.2(3) . 2_656
C30 C29 C28 121.9(3) . .
C30 C29 C38 118.4(3) . .
C28 C29 C38 119.6(3) . .
C29 C30 N5 126.9(3) . .
C29 C30 C31 123.4(3) . .
N5 C30 C31 109.6(3) . .
C32 C31 C30 107.1(3) . .
C31 C32 C33 107.9(3) . .
C34 C33 N5 126.8(3) . .
C34 C33 C32 123.4(3) . .
N5 C33 C32 109.8(3) . .
C33 C34 C35 122.2(3) . .
C33 C34 C44 119.0(3) . .
C35 C34 C44 118.7(3) . .
N4 C35 C34 126.2(3) 2_656 .
N4 C35 C36 110.1(3) 2_656 .
C34 C35 C36 123.7(3) . .
C37 C36 C35 107.5(3) . .
C36 C37 C28 107.1(3) . 2_656
C39 C38 C43 119.3(4) . .
C39 C38 C29 122.4(4) . .
C43 C38 C29 118.2(4) . .
C38 C39 C40 119.4(5) . .
C41 C40 C39 119.2(6) . .
C42 C41 C40 121.7(5) . .
C41 C42 C43 119.0(6) . .
C42 C43 C38 121.3(6) . .
C49 C44 C45 118.9(4) . .
C49 C44 C34 121.3(3) . .
C45 C44 C34 119.8(4) . .
C46 C45 C44 120.6(4) . .
C47 C46 C45 120.6(4) . .
C48 C47 C46 119.4(4) . .
C47 C48 C49 120.8(4) . .
C44 C49 C48 119.8(4) . .
N6 C50 C51 122.6(4) . .
C50 C51 C52 119.4(4) . .
C53 C52 C51 118.0(4) . .
C52 C53 C54 119.8(4) . .
N6 C54 C53 122.4(4) . .
N1 Co1 N1 180.0 2_665 .
N1 Co1 N3 90.01(12) 2_665 .
N1 Co1 N3 89.99(12) . .
N1 Co1 N3 89.99(12) 2_665 2_665
N1 Co1 N3 90.01(12) . 2_665
N3 Co1 N3 180.00(18) . 2_665
N1 Co1 N2 89.29(13) 2_665 .
N1 Co1 N2 90.71(13) . .
N3 Co1 N2 90.15(12) . .
N3 Co1 N2 89.85(12) 2_665 .
N1 Co1 N2 90.71(13) 2_665 2_665
N1 Co1 N2 89.29(13) . 2_665
N3 Co1 N2 89.85(12) . 2_665
N3 Co1 N2 90.15(12) 2_665 2_665
N2 Co1 N2 180.00(13) . 2_665
N5 Co2 N5 180.000(1) 2_656 .
N5 Co2 N6 91.34(12) 2_656 2_656
N5 Co2 N6 88.66(12) . 2_656
N5 Co2 N6 88.66(12) 2_656 .
N5 Co2 N6 91.34(12) . .
N6 Co2 N6 180.00(14) 2_656 .
N5 Co2 N4 90.08(13) 2_656 2_656
N5 Co2 N4 89.92(13) . 2_656
N6 Co2 N4 91.93(12) 2_656 2_656
N6 Co2 N4 88.07(12) . 2_656
N5 Co2 N4 89.92(13) 2_656 .
N5 Co2 N4 90.08(13) . .
N6 Co2 N4 88.07(12) 2_656 .
N6 Co2 N4 91.93(12) . .
N4 Co2 N4 180.0 2_656 .
C1 N1 C4 105.2(3) . .
C1 N1 Co1 128.3(2) . .
C4 N1 Co1 126.5(2) . .
C6 N2 C9 105.4(3) . .
C6 N2 Co1 126.8(2) . .
C9 N2 Co1 127.8(2) . .
C27 N3 C23 117.4(3) . .
C27 N3 Co1 121.3(3) . .
C23 N3 Co1 121.3(3) . .
C28 N4 C35 105.3(3) . 2_656
C28 N4 Co2 127.0(2) . .
C35 N4 Co2 127.3(2) 2_656 .
C33 N5 C30 105.5(3) . .
C33 N5 Co2 127.5(2) . .
C30 N5 Co2 126.9(2) . .
C50 N6 C54 117.7(3) . .
C50 N6 Co2 121.6(2) . .
C54 N6 Co2 120.4(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.389(5) .
C1 C10 1.409(5) 2_665
C1 C2 1.476(5) .
C2 C3 1.367(5) .
C3 C4 1.435(5) .
C4 C5 1.389(5) .
C4 N1 1.390(5) .
C5 C6 1.399(5) .
C5 C11 1.489(5) .
C6 N2 1.377(5) .
C6 C7 1.434(5) .
C7 C8 1.349(6) .
C8 C9 1.437(5) .
C9 C10 1.381(5) .
C9 N2 1.391(5) .
C10 C1 1.409(5) 2_665
C10 C17 1.503(5) .
C11 C12 1.377(6) .
C11 C16 1.398(6) .
C12 C13 1.389(6) .
C13 C14 1.368(7) .
C14 C15 1.378(7) .
C15 C16 1.389(6) .
C17 C22 1.377(6) .
C17 C18 1.395(6) .
C18 C19 1.377(7) .
C19 C20 1.354(10) .
C20 C21 1.369(10) .
C21 C22 1.404(7) .
C23 N3 1.348(5) .
C23 C24 1.387(6) .
C24 C25 1.357(6) .
C25 C26 1.385(6) .
C26 C27 1.389(6) .
C27 N3 1.340(5) .
C28 N4 1.383(5) .
C28 C29 1.389(5) .
C28 C37 1.456(5) 2_656
C29 C30 1.389(5) .
C29 C38 1.494(5) .
C30 N5 1.393(5) .
C30 C31 1.450(5) .
C31 C32 1.349(6) .
C32 C33 1.436(5) .
C33 C34 1.386(5) .
C33 N5 1.392(5) .
C34 C35 1.400(5) .
C34 C44 1.494(5) .
C35 N4 1.395(5) 2_656
C35 C36 1.442(5) .
C36 C37 1.347(5) .
C37 C28 1.456(5) 2_656
C38 C39 1.382(6) .
C38 C43 1.405(7) .
C39 C40 1.407(7) .
C40 C41 1.400(11) .
C41 C42 1.357(10) .
C42 C43 1.379(7) .
C44 C49 1.385(6) .
C44 C45 1.392(5) .
C45 C46 1.381(6) .
C46 C47 1.373(7) .
C47 C48 1.373(7) .
C48 C49 1.397(6) .
C50 N6 1.342(5) .
C50 C51 1.383(5) .
C51 C52 1.390(6) .
C52 C53 1.371(6) .
C53 C54 1.387(6) .
C54 N6 1.344(5) .
Co1 N1 1.977(3) 2_665
Co1 N1 1.977(3) .
Co1 N3 1.981(3) .
Co1 N3 1.981(3) 2_665
Co1 N2 1.992(3) .
Co1 N2 1.992(3) 2_665
Co2 N5 1.980(3) 2_656
Co2 N5 1.980(3) .
Co2 N6 1.983(3) 2_656
Co2 N6 1.983(3) .
Co2 N4 1.992(3) 2_656
Co2 N4 1.992(3) .
N4 C35 1.395(5) 2_656
