#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:25:27 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179140 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/01/4310142.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_4310142
loop_
_publ_author_name
'Angela L. Reiff'
'Eva M. Garcia-Frutos'
'Jun Mo Gil'
'Oren P. Anderson'
'Louis S. Hegedus'
_publ_section_title
;
Synthesis and Properties of Cobalt(III) Complexes of 4-Substituted
Pyridine-Capped Dioxocyclams
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9162
_journal_page_last               9174
_journal_paper_doi               10.1021/ic050200h
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C62 H98 Co2 N12 O24 Rh2'
_chemical_formula_weight         1719.20
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           148
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_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                120.00
_cell_formula_units_Z            9
_cell_length_a                   39.481(8)
_cell_length_b                   39.481(8)
_cell_length_c                   14.574(4)
_cell_measurement_temperature    273(2)
_cell_volume                     19674(8)
_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  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.1121
_diffrn_reflns_av_sigmaI/netI    0.0677
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            37724
_diffrn_reflns_theta_full        22.00
_diffrn_reflns_theta_max         22.00
_diffrn_reflns_theta_min         1.03
_exptl_absorpt_coefficient_mu    0.814
_exptl_absorpt_correction_T_max  0.8877
_exptl_absorpt_correction_T_min  0.7367
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1997)'
_exptl_crystal_colour            'clear dark red'
_exptl_crystal_density_diffrn    1.306
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       plates
_exptl_crystal_F_000             8010
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.919
_refine_diff_density_min         -0.605
_refine_diff_density_rms         0.211
_refine_ls_extinction_coef       0.00043(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     473
_refine_ls_number_reflns         5367
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.1157
_refine_ls_R_factor_gt           0.0715
_refine_ls_shift/su_max          0.400
_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1186P)²+113.7272P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1885
_refine_ls_wR_factor_ref         0.2167
_reflns_number_gt                3572
_reflns_number_total             5367
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic050200hsi20050204_103054_4.cif
_cod_data_source_block           lsh144m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Rhombohedral' changed to 'rhombohedral'
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_original_sg_symbol_H-M      'R -3'
_cod_database_code               4310142
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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
Rh1 Rh 0.30944(3) 0.16514(2) 0.21935(5) 0.0564(4) Uani 1 1 d . . .
Co1 Co 0.22565(3) 0.20155(3) 0.41601(8) 0.0401(4) Uani 1 1 d . . .
O1 O 0.3044(2) 0.1915(2) 0.6233(6) 0.084(2) Uani 1 1 d . . .
O2 O 0.3200(2) 0.2687(2) 0.5885(5) 0.068(2) Uani 1 1 d . . .
O3 O 0.1663(3) 0.2155(3) 0.1811(8) 0.129(4) Uani 1 1 d . . .
O4 O 0.1252(2) 0.1439(2) 0.2599(6) 0.087(2) Uani 1 1 d . . .
O5 O 0.2831(3) 0.1062(2) 0.2125(6) 0.094(3) Uani 1 1 d . . .
O6 O 0.2780(3) 0.1650(3) 0.1110(6) 0.116(4) Uani 1 1 d . . .
O7 O 0.3379(3) 0.2245(2) 0.2183(6) 0.105(3) Uani 1 1 d . . .
O8 O 0.3435(3) 0.1659(3) 0.3214(5) 0.095(3) Uani 1 1 d . . .
N1 N 0.2760(3) 0.2387(3) 0.4742(6) 0.065(3) Uani 1 1 d . . .
N2 N 0.2394(2) 0.2410(2) 0.3197(6) 0.052(2) Uani 1 1 d . . .
N3 N 0.1769(2) 0.1643(3) 0.3539(6) 0.065(2) Uani 1 1 d . . .
N4 N 0.2072(3) 0.1666(2) 0.5224(5) 0.062(2) Uani 1 1 d . . .
N5 N 0.2013(2) 0.2268(2) 0.4739(5) 0.0440(19) Uani 1 1 d . . .
N6 N 0.2668(3) 0.1654(2) 0.3152(6) 0.058(2) Uani 1 1 d . . .
C1 C 0.2730(3) 0.2011(3) 0.6101(7) 0.065(3) Uani 1 1 d . . .
C2 C 0.2656(4) 0.2101(4) 0.7059(8) 0.110(5) Uani 1 1 d . . .
H2A H 0.2578 0.1877 0.7444 0.165 Uiso 1 1 calc R . .
H2B H 0.2452 0.2166 0.7045 0.165 Uiso 1 1 calc R . .
H2C H 0.2891 0.2319 0.7298 0.165 Uiso 1 1 calc R . .
C3 C 0.3284(4) 0.1952(4) 0.5410(11) 0.105(5) Uani 1 1 d . . .
H3A H 0.3114 0.1805 0.4912 0.157 Uiso 1 1 calc R . .
H3B H 0.3455 0.1852 0.5550 0.157 Uiso 1 1 calc R . .
H3C H 0.3436 0.2222 0.5237 0.157 Uiso 1 1 calc R . .
C4 C 0.2910(4) 0.2404(4) 0.5529(8) 0.070(3) Uani 1 1 d . . .
C5 C 0.3005(3) 0.2774(3) 0.4188(7) 0.053(3) Uani 1 1 d . . .
C6 C 0.3421(3) 0.2877(3) 0.4051(8) 0.073(3) Uani 1 1 d . . .
H6A H 0.3430 0.2648 0.3877 0.110 Uiso 1 1 calc R . .
H6B H 0.3563 0.2980 0.4612 0.110 Uiso 1 1 calc R . .
H6C H 0.3536 0.3071 0.3576 0.110 Uiso 1 1 calc R . .
C7 C 0.2976(4) 0.3110(3) 0.4587(7) 0.072(3) Uani 1 1 d . . .
H7A H 0.3104 0.3179 0.5172 0.108 Uiso 1 1 calc R . .
H7B H 0.2705 0.3034 0.4662 0.108 Uiso 1 1 calc R . .
H7C H 0.3099 0.3330 0.4180 0.108 Uiso 1 1 calc R . .
C8 C 0.2830(3) 0.2658(3) 0.3228(6) 0.052(3) Uani 1 1 d . . .
H8A H 0.2907 0.2894 0.2878 0.062 Uiso 1 1 calc R . .
H8B H 0.2942 0.2517 0.2928 0.062 Uiso 1 1 calc R . .
C9 C 0.2296(3) 0.2241(3) 0.2273(7) 0.064(3) Uani 1 1 d . . .
H9A H 0.2444 0.2109 0.2162 0.077 Uiso 1 1 calc R . .
H9B H 0.2387 0.2454 0.1837 0.077 Uiso 1 1 calc R . .
C10 C 0.1874(4) 0.1956(4) 0.2063(9) 0.077(3) Uani 1 1 d . . .
C11 C 0.1868(5) 0.1699(5) 0.1273(9) 0.135(7) Uani 1 1 d . . .
H11A H 0.1605 0.1490 0.1173 0.202 Uiso 1 1 calc R . .
H11B H 0.2031 0.1591 0.1423 0.202 Uiso 1 1 calc R . .
H11C H 0.1964 0.1853 0.0725 0.202 Uiso 1 1 calc R . .
C12 C 0.1748(7) 0.2344(6) 0.0862(15) 0.246(15) Uani 1 1 d . . .
H12A H 0.2024 0.2472 0.0744 0.368 Uiso 1 1 calc R . .
H12B H 0.1662 0.2532 0.0839 0.368 Uiso 1 1 calc R . .
H12C H 0.1611 0.2146 0.0406 0.368 Uiso 1 1 calc R . .
C13 C 0.1614(4) 0.1654(4) 0.2816(10) 0.078(4) Uani 1 1 d . . .
C14 C 0.1513(3) 0.1271(3) 0.4139(8) 0.066(3) Uani 1 1 d . . .
C15 C 0.1372(4) 0.0893(4) 0.3603(9) 0.095(4) Uani 1 1 d . . .
H15A H 0.1593 0.0879 0.3376 0.142 Uiso 1 1 calc R . .
H15B H 0.1214 0.0887 0.3097 0.142 Uiso 1 1 calc R . .
H15C H 0.1220 0.0674 0.3998 0.142 Uiso 1 1 calc R . .
C16 C 0.1148(4) 0.1265(4) 0.4548(9) 0.096(4) Uani 1 1 d . . .
H16A H 0.1009 0.1039 0.4931 0.144 Uiso 1 1 calc R . .
H16B H 0.0981 0.1256 0.4059 0.144 Uiso 1 1 calc R . .
H16C H 0.1229 0.1497 0.4906 0.144 Uiso 1 1 calc R . .
C17 C 0.1793(3) 0.1272(3) 0.4828(8) 0.064(3) Uani 1 1 d . . .
H17A H 0.1943 0.1168 0.4542 0.077 Uiso 1 1 calc R . .
H17B H 0.1644 0.1098 0.5326 0.077 Uiso 1 1 calc R . .
C18 C 0.2399(3) 0.1639(3) 0.5689(7) 0.063(3) Uani 1 1 d . . .
H18A H 0.2511 0.1539 0.5245 0.076 Uiso 1 1 calc R . .
H18B H 0.2285 0.1446 0.6175 0.076 Uiso 1 1 calc R . .
C19 C 0.1862(4) 0.1796(3) 0.5905(8) 0.075(3) Uani 1 1 d . . .
H19A H 0.1595 0.1585 0.5996 0.089 Uiso 1 1 calc R . .
H19B H 0.1995 0.1856 0.6493 0.089 Uiso 1 1 calc R . .
C20 C 0.1857(3) 0.2140(3) 0.5560(7) 0.050(3) Uani 1 1 d . . .
C21 C 0.1709(3) 0.2351(3) 0.6027(7) 0.063(3) Uani 1 1 d . . .
H21 H 0.1595 0.2270 0.6602 0.075 Uiso 1 1 calc R . .
C22 C 0.1734(3) 0.2672(3) 0.5631(9) 0.062(3) Uani 1 1 d . . .
H22 H 0.1644 0.2816 0.5946 0.075 Uiso 1 1 calc R . .
C23 C 0.1888(3) 0.2787(3) 0.4789(9) 0.074(3) Uani 1 1 d . . .
H23 H 0.1900 0.3006 0.4518 0.089 Uiso 1 1 calc R . .
C24 C 0.2031(3) 0.2574(3) 0.4326(7) 0.054(3) Uani 1 1 d . . .
C25 C 0.2182(3) 0.2645(3) 0.3370(8) 0.072(3) Uani 1 1 d . . .
H25A H 0.2363 0.2921 0.3279 0.086 Uiso 1 1 calc R . .
H25B H 0.1968 0.2563 0.2941 0.086 Uiso 1 1 calc R . .
C26 C 0.2507(3) 0.1777(3) 0.3558(6) 0.045(2) Uani 1 1 d . . .
C27 C 0.2982(5) 0.0912(4) 0.1629(11) 0.119(6) Uani 1 1 d . . .
C28 C 0.2780(7) 0.0461(4) 0.1666(14) 0.209(13) Uani 1 1 d . . .
H28A H 0.2501 0.0352 0.1665 0.313 Uiso 1 1 calc R . .
H28B H 0.2857 0.0383 0.2216 0.313 Uiso 1 1 calc R . .
H28C H 0.2856 0.0368 0.1141 0.313 Uiso 1 1 calc R . .
C29 C 0.3747(5) 0.1658(6) 0.3025(10) 0.123(6) Uani 1 1 d . . .
C30 C 0.3970(6) 0.1621(9) 0.3837(11) 0.256(17) Uani 1 1 d . . .
H30A H 0.3937 0.1363 0.3846 0.384 Uiso 1 1 calc R . .
H30B H 0.3871 0.1667 0.4397 0.384 Uiso 1 1 calc R . .
H30C H 0.4243 0.1811 0.3778 0.384 Uiso 1 1 calc R . .
O9 O 0.1007(11) 0.0845(10) 0.7026(15) 0.42(2) Uani 1 1 d . . .
O10 O 0.1879(11) 0.0644(10) 0.149(2) 0.346(14) Uani 1 1 d . . .
H10 H 0.2079 0.0742 0.1175 0.519 Uiso 1 1 calc R . .
C32 C 0.1809(11) 0.0249(11) 0.190(3) 0.51(5) Uani 1 1 d . . .
H32A H 0.1626 0.0174 0.2398 0.771 Uiso 1 1 calc R . .
H32B H 0.2052 0.0281 0.2122 0.771 Uiso 1 1 calc R . .
H32C H 0.1705 0.0051 0.1435 0.771 Uiso 1 1 calc R . .
O11 O 0.0881(7) 0.0888(12) 0.1015(18) 0.51(3) Uani 1 1 d . . .
O12 O 0.0700(5) 0.1683(7) 0.2616(19) 0.365(17) 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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 '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
O8 Rh1 O6 176.2(3) . . ?
O8 Rh1 O5 90.5(4) . . ?
O6 Rh1 O5 89.8(4) . . ?
O8 Rh1 O7 90.5(4) . . ?
O6 Rh1 O7 88.9(4) . . ?
O5 Rh1 O7 176.1(3) . . ?
O8 Rh1 N6 92.2(3) . . ?
O6 Rh1 N6 91.5(3) . . ?
O5 Rh1 N6 94.7(3) . . ?
O7 Rh1 N6 89.0(3) . . ?
O8 Rh1 Rh1 88.2(2) . 13 ?
O6 Rh1 Rh1 88.1(2) . 13 ?
O5 Rh1 Rh1 88.0(2) . 13 ?
O7 Rh1 Rh1 88.3(2) . 13 ?
N6 Rh1 Rh1 177.3(2) . 13 ?
C26 Co1 N5 178.2(4) . . ?
C26 Co1 N4 96.9(3) . . ?
N5 Co1 N4 84.8(3) . . ?
C26 Co1 N2 93.3(3) . . ?
N5 Co1 N2 85.0(3) . . ?
N4 Co1 N2 169.8(3) . . ?
C26 Co1 N3 88.5(4) . . ?
N5 Co1 N3 92.0(3) . . ?
N4 Co1 N3 87.5(4) . . ?
N2 Co1 N3 92.5(4) . . ?
C26 Co1 N1 89.2(4) . . ?
N5 Co1 N1 90.3(3) . . ?
N4 Co1 N1 93.7(4) . . ?
N2 Co1 N1 86.7(4) . . ?
N3 Co1 N1 177.5(3) . . ?
C1 O1 C3 116.4(8) . . ?
C10 O3 C12 116.7(15) . . ?
C27 O5 Rh1 118.6(8) . . ?
C29 O6 Rh1 118.5(9) 13 . ?
C27 O7 Rh1 117.7(7) 13 . ?
C29 O8 Rh1 119.3(8) . . ?
C4 N1 C5 111.6(10) . . ?
C4 N1 Co1 133.9(9) . . ?
C5 N1 Co1 113.9(6) . . ?
C9 N2 C8 106.3(7) . . ?
C9 N2 C25 109.0(8) . . ?
C8 N2 C25 113.2(7) . . ?
C9 N2 Co1 112.9(6) . . ?
C8 N2 Co1 105.6(6) . . ?
C25 N2 Co1 109.9(6) . . ?
C13 N3 C14 114.5(10) . . ?
C13 N3 Co1 133.3(9) . . ?
C14 N3 Co1 112.0(7) . . ?
C17 N4 C18 108.1(8) . . ?
C17 N4 C19 110.8(8) . . ?
C18 N4 C19 110.9(8) . . ?
C17 N4 Co1 104.3(6) . . ?
C18 N4 Co1 112.0(6) . . ?
C19 N4 Co1 110.4(6) . . ?
C24 N5 C20 124.1(8) . . ?
C24 N5 Co1 118.1(7) . . ?
C20 N5 Co1 117.7(7) . . ?
C26 N6 Rh1 157.8(8) . . ?
O1 C1 C2 103.2(10) . . ?
O1 C1 C18 103.4(8) . . ?
C2 C1 C18 114.8(10) . . ?
O1 C1 C4 107.2(8) . . ?
C2 C1 C4 107.5(9) . . ?
C18 C1 C4 119.1(10) . . ?
O2 C4 N1 128.1(12) . . ?
O2 C4 C1 114.8(10) . . ?
N1 C4 C1 116.9(11) . . ?
C6 C5 C7 111.8(9) . . ?
C6 C5 C8 103.3(8) . . ?
C7 C5 C8 113.3(8) . . ?
C6 C5 N1 113.3(8) . . ?
C7 C5 N1 112.2(8) . . ?
C8 C5 N1 102.3(7) . . ?
N2 C8 C5 115.2(8) . . ?
N2 C9 C10 118.0(9) . . ?
O3 C10 C9 111.6(10) . . ?
O3 C10 C11 110.4(12) . . ?
C9 C10 C11 107.0(11) . . ?
O3 C10 C13 104.8(10) . . ?
C9 C10 C13 118.9(10) . . ?
C11 C10 C13 103.7(10) . . ?
N3 C13 O4 126.4(13) . . ?
N3 C13 C10 118.7(11) . . ?
O4 C13 C10 114.8(11) . . ?
C17 C14 C15 105.0(9) . . ?
C17 C14 C16 115.0(9) . . ?
C15 C14 C16 107.5(10) . . ?
C17 C14 N3 104.1(9) . . ?
C15 C14 N3 112.4(9) . . ?
C16 C14 N3 112.7(9) . . ?
C14 C17 N4 115.0(9) . . ?
N4 C18 C1 117.6(9) . . ?
C20 C19 N4 110.5(8) . . ?
N5 C20 C21 117.6(9) . . ?
N5 C20 C19 116.4(8) . . ?
C21 C20 C19 126.0(10) . . ?
C22 C21 C20 119.4(10) . . ?
C23 C22 C21 121.1(10) . . ?
C22 C23 C24 119.2(11) . . ?
N5 C24 C23 118.5(10) . . ?
N5 C24 C25 115.4(9) . . ?
C23 C24 C25 125.9(10) . . ?
C24 C25 N2 109.2(8) . . ?
N6 C26 Co1 175.4(8) . . ?
O7 C27 O5 127.4(11) 13 . ?
O7 C27 C28 117.1(12) 13 . ?
O5 C27 C28 115.4(12) . . ?
O8 C29 O6 125.8(13) . 13 ?
O8 C29 C30 116.2(14) . . ?
O6 C29 C30 118.0(14) 13 . ?
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
Rh1 O8 1.997(9) . ?
Rh1 O6 2.008(10) . ?
Rh1 O5 2.020(7) . ?
Rh1 O7 2.031(8) . ?
Rh1 N6 2.190(8) . ?
Rh1 Rh1 2.3885(15) 13 ?
Co1 C26 1.887(10) . ?
Co1 N5 1.894(7) . ?
Co1 N4 1.958(8) . ?
Co1 N2 1.962(7) . ?
Co1 N3 1.965(9) . ?
Co1 N1 1.977(9) . ?
O1 C1 1.475(13) . ?
O1 C3 1.489(15) . ?
O2 C4 1.245(13) . ?
O3 C10 1.448(15) . ?
O3 C12 1.53(2) . ?
O4 C13 1.284(13) . ?
O5 C27 1.260(14) . ?
O6 C29 1.275(16) 13 ?
O7 C27 1.260(15) 13 ?
O8 C29 1.261(16) . ?
N1 C4 1.276(13) . ?
N1 C5 1.565(13) . ?
N2 C9 1.467(12) . ?
N2 C8 1.495(11) . ?
N2 C25 1.547(13) . ?
N3 C13 1.230(14) . ?
N3 C14 1.567(13) . ?
N4 C17 1.499(13) . ?
N4 C18 1.510(13) . ?
N4 C19 1.538(12) . ?
N5 C24 1.321(11) . ?
N5 C20 1.326(12) . ?
N6 C26 1.143(11) . ?
C1 C2 1.506(15) . ?
C1 C18 1.520(15) . ?
C1 C4 1.584(16) . ?
C5 C6 1.492(14) . ?
C5 C7 1.505(13) . ?
C5 C8 1.527(13) . ?
C9 C10 1.506(15) . ?
C10 C11 1.528(18) . ?
C10 C13 1.566(17) . ?
C14 C17 1.489(15) . ?
C14 C15 1.520(15) . ?
C14 C16 1.551(15) . ?
C19 C20 1.458(14) . ?
C20 C21 1.408(13) . ?
C21 C22 1.348(15) . ?
C22 C23 1.344(15) . ?
C23 C24 1.395(14) . ?
C24 C25 1.486(14) . ?
C27 O7 1.260(15) 13 ?
C27 C28 1.545(17) . ?
C29 O6 1.275(16) 13 ?
C29 C30 1.52(2) . ?
O10 C32 1.56(4) . ?
