#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:46:51 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179204 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/38/4313874.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_4313874
loop_
_publ_author_name
'John F. Berry'
'F. Albert Cotton'
'Tongbu Lu'
'Carlos A. Murillo'
_publ_section_title
;
 Increasing Solubility and Stability of Linear Tricobalt(II) Chains with
 depa (Diethyldipyridylamide) Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4425
_journal_page_last               4430
_journal_paper_doi               10.1021/ic034149y
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety         Co3(depa)4(CN)2.0.5hexane
_chemical_formula_sum            'C61 H71 Co3 N14'
_chemical_formula_weight         1177.11
_chemical_melting_point          ?
_chemical_name_common            Co3(depa)4(CN)2.0.5hexane
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           118
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P -4 -2n'
_symmetry_space_group_name_H-M   'P -4 n 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            4
_cell_length_a                   18.8948(8)
_cell_length_b                   18.8948(8)
_cell_length_c                   16.2414(13)
_cell_measurement_reflns_used    8923
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      27.458
_cell_measurement_theta_min      2.410
_cell_volume                     5798.4(6)
_computing_cell_refinement       'SAINT V.6.22'
_computing_data_collection       'SMART V.5.618'
_computing_data_reduction        'SAINT V.6.22'
_computing_molecular_graphics    'SHELXTL (Siemens, 1996)'
_computing_publication_material  CIFTAB
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_detector_area_resol_mean '8.33 mm^-1^'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Brucker SMART 1000'
_diffrn_measurement_method       'omega sacns'
_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  0.0213
_diffrn_reflns_av_sigmaI/netI    0.0243
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            31916
_diffrn_reflns_theta_full        27.52
_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_min         1.97
_exptl_absorpt_coefficient_mu    0.900
_exptl_absorpt_correction_T_max  0.8062
_exptl_absorpt_correction_T_min  0.6469
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2.03'
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    1.348
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2464
_exptl_crystal_size_max          0.53
_exptl_crystal_size_mid          0.41
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.412
_refine_diff_density_min         -0.235
_refine_diff_density_rms         0.055
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.021(13)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     372
_refine_ls_number_reflns         6607
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0371
_refine_ls_R_factor_gt           0.0313
_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)+(0.0513P)²+1.5951P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0840
_refine_ls_wR_factor_ref         0.0898
_reflns_number_gt                6015
_reflns_number_total             6607
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034149ysi20030212_102325_7.cif
_cod_data_source_block           Co3(depa)4(CN)2.0.5hexane
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to '/home/adriana/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 1555 2011-01-17 13:19:09Z saulius 

The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1569 2011-02-09 13:29:24Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               4313874
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'y, -x, -z'
'-y, x, -z'
'x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, z+1/2'
'y+1/2, x+1/2, -z+1/2'
'-y+1/2, -x+1/2, -z+1/2'
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 0.235770(17) 0.323178(16) 0.114532(19) 0.02959(8) Uani 1 1 d . . .
Co2 Co 0.205086(15) 0.294914(15) 0.2500 0.02700(10) Uani 1 2 d S . .
C41 C 0.26316(14) 0.34628(14) -0.00298(15) 0.0378(5) Uani 1 1 d . . .
N9 N 0.28246(16) 0.35689(16) -0.06913(16) 0.0547(6) Uani 1 1 d . . .
N1 N 0.32989(11) 0.28297(11) 0.14305(12) 0.0310(4) Uani 1 1 d . . .
N2 N 0.27621(9) 0.22379(9) 0.2500 0.0286(5) Uani 1 2 d S . .
N3 N 0.13655(11) 0.35957(12) 0.10842(12) 0.0367(4) Uani 1 1 d . C .
N4 N 0.13401(10) 0.36599(10) 0.2500 0.0337(6) Uani 1 2 d S C .
N5 N 0.27409(11) 0.29914(11) 0.41071(12) 0.0325(4) Uani 1 1 d . . .
N6 N 0.27193(11) 0.36184(11) 0.28861(12) 0.0318(4) Uani 1 1 d . . .
N7 N 0.26681(11) 0.41530(11) 0.16089(13) 0.0345(4) Uani 1 1 d . . .
C1 C 0.38972(14) 0.30337(13) 0.10327(15) 0.0366(5) Uani 1 1 d . . .
H1A H 0.3857 0.3370 0.0608 0.044 Uiso 1 1 calc R . .
C2 C 0.45561(14) 0.27751(15) 0.12180(17) 0.0431(6) Uani 1 1 d . . .
H2A H 0.4954 0.2926 0.0918 0.052 Uiso 1 1 calc R . .
C3 C 0.46322(15) 0.22846(17) 0.18573(18) 0.0439(6) Uani 1 1 d . B .
C4 C 0.40317(14) 0.20923(14) 0.22774(16) 0.0384(6) Uani 1 1 d . . .
H4A H 0.4068 0.1774 0.2720 0.046 Uiso 1 1 calc R . .
C5 C 0.33649(12) 0.23615(12) 0.20601(14) 0.0297(4) Uani 1 1 d . . .
C6 C 0.53436(17) 0.1977(2) 0.2067(2) 0.0651(10) Uani 1 1 d D . .
H6A H 0.5715 0.2322 0.1940 0.078 Uiso 1 1 calc R A 1
H6B H 0.5364 0.1873 0.2658 0.078 Uiso 1 1 calc R A 1
C7' C 0.545(4) 0.215(5) 0.296(2) 0.106(2) Uani 0.063(8) 1 d PD B 2
H7'A H 0.5902 0.1962 0.3142 0.160 Uiso 0.063(8) 1 calc PR B 2
H7'B H 0.5073 0.1946 0.3282 0.160 Uiso 0.063(8) 1 calc PR B 2
H7'C H 0.5451 0.2662 0.3030 0.160 Uiso 0.063(8) 1 calc PR B 2
C7 C 0.5471(3) 0.1314(3) 0.1590(3) 0.106(2) Uani 0.937(8) 1 d PD B 1
H7A H 0.5932 0.1124 0.1731 0.160 Uiso 0.937(8) 1 calc PR B 1
H7B H 0.5455 0.1418 0.1006 0.160 Uiso 0.937(8) 1 calc PR B 1
H7C H 0.5108 0.0970 0.1724 0.160 Uiso 0.937(8) 1 calc PR B 1
C11 C 0.10240(16) 0.36232(16) 0.03582(17) 0.0476(7) Uani 1 1 d . . .
H11A H 0.1274 0.3492 -0.0119 0.057 Uiso 1 1 calc R . .
C12 C 0.03309(18) 0.3832(2) 0.02735(19) 0.0619(9) Uani 1 1 d . C .
H12A H 0.0118 0.3843 -0.0250 0.074 Uiso 1 1 calc R . .
C13 C -0.00537(18) 0.4026(2) 0.0969(2) 0.0631(9) Uani 1 1 d . . .
C14 C 0.02863(16) 0.39953(18) 0.17146(18) 0.0501(7) Uani 1 1 d . C .
H14A H 0.0039 0.4122 0.2195 0.060 Uiso 1 1 calc R . .
C15 C 0.09966(14) 0.37791(13) 0.17767(15) 0.0360(6) Uani 1 1 d . . .
C16 C -0.0747(9) 0.4386(10) 0.0899(11) 0.052(3) Uani 0.40(3) 1 d P C 1
H16A H -0.0705 0.4810 0.0554 0.063 Uiso 0.40(3) 1 calc PR C 1
H16B H -0.0919 0.4528 0.1444 0.063 Uiso 0.40(3) 1 calc PR C 1
C17 C -0.1242(7) 0.3866(10) 0.0515(19) 0.084(6) Uani 0.40(3) 1 d P C 1
H17A H -0.1706 0.4080 0.0454 0.126 Uiso 0.40(3) 1 calc PR C 1
H17B H -0.1278 0.3450 0.0863 0.126 Uiso 0.40(3) 1 calc PR C 1
H17C H -0.1064 0.3729 -0.0023 0.126 Uiso 0.40(3) 1 calc PR C 1
C16 C -0.0887(6) 0.4109(10) 0.0938(8) 0.065(3) Uani 0.60(3) 1 d P C 2
H16C H -0.1102 0.3699 0.1210 0.079 Uiso 0.60(3) 1 calc PR C 2
H16D H -0.1019 0.4531 0.1253 0.079 Uiso 0.60(3) 1 calc PR C 2
C17' C -0.1183(5) 0.4170(8) 0.0114(8) 0.076(3) Uani 0.60(3) 1 d P C 2
H17D H -0.1695 0.4179 0.0148 0.113 Uiso 0.60(3) 1 calc PR C 2
H17E H -0.1035 0.3767 -0.0215 0.113 Uiso 0.60(3) 1 calc PR C 2
H17F H -0.1016 0.4603 -0.0141 0.113 Uiso 0.60(3) 1 calc PR C 2
C21 C 0.31010(14) 0.27433(15) 0.47632(17) 0.0401(6) Uani 1 1 d . . .
H21A H 0.2870 0.2426 0.5119 0.048 Uiso 1 1 calc R . .
C22 C 0.37870(16) 0.29297(17) 0.49387(17) 0.0469(6) Uani 1 1 d . . .
H22A H 0.4014 0.2747 0.5407 0.056 Uiso 1 1 calc R . .
C23 C 0.41423(16) 0.33933(17) 0.44146(18) 0.0488(7) Uani 1 1 d . E .
C24 C 0.37869(15) 0.36489(15) 0.37408(16) 0.0418(6) Uani 1 1 d . . .
H24A H 0.4016 0.3963 0.3380 0.050 Uiso 1 1 calc R . .
C25 C 0.30801(13) 0.34452(13) 0.35827(15) 0.0326(5) Uani 1 1 d . . .
C26 C 0.28420(13) 0.42071(12) 0.24227(17) 0.0347(5) Uani 1 1 d . . .
C27 C 0.30793(17) 0.48639(15) 0.27447(18) 0.0481(7) Uani 1 1 d . . .
H27A H 0.3189 0.4901 0.3308 0.058 Uiso 1 1 calc R . .
C28 C 0.3151(2) 0.54455(16) 0.2246(2) 0.0552(8) Uani 1 1 d . . .
C29 C 0.29530(19) 0.53825(16) 0.14250(19) 0.0517(7) Uani 1 1 d . . .
H29A H 0.2984 0.5773 0.1068 0.062 Uiso 1 1 calc R . .
C30 C 0.27106(15) 0.47373(14) 0.11411(18) 0.0425(6) Uani 1 1 d . . .
H30A H 0.2567 0.4706 0.0588 0.051 Uiso 1 1 calc R . .
C31 C 0.49161(18) 0.3571(2) 0.4548(2) 0.0656(9) Uani 1 1 d D . .
H31A H 0.5027 0.3566 0.5137 0.079 Uiso 1 1 calc R D 1
H31B H 0.5020 0.4044 0.4331 0.079 Uiso 1 1 calc R D 1
C32 C 0.5386(5) 0.2984(5) 0.4070(9) 0.0817(18) Uiso 0.504(13) 1 d PD E 1
H32A H 0.5879 0.3038 0.4223 0.123 Uiso 0.504(13) 1 calc PR E 1
H32B H 0.5335 0.3048 0.3481 0.123 Uiso 0.504(13) 1 calc PR E 1
H32C H 0.5224 0.2515 0.4222 0.123 Uiso 0.504(13) 1 calc PR E 1
C32' C 0.5372(5) 0.2960(5) 0.4506(9) 0.0817(18) Uiso 0.496(13) 1 d PD E 2
H32D H 0.5376 0.2723 0.5036 0.123 Uiso 0.496(13) 1 calc PR E 2
H32E H 0.5849 0.3109 0.4368 0.123 Uiso 0.496(13) 1 calc PR E 2
H32F H 0.5199 0.2638 0.4087 0.123 Uiso 0.496(13) 1 calc PR E 2
C33 C 0.3429(3) 0.61386(18) 0.2598(3) 0.0845(13) Uani 1 1 d . . .
H33A H 0.3637 0.6048 0.3141 0.101 Uiso 1 1 calc R . .
H33B H 0.3805 0.6319 0.2239 0.101 Uiso 1 1 calc R . .
C34 C 0.2882(3) 0.6674(3) 0.2677(4) 0.1042(18) Uani 1 1 d . . .
H34A H 0.3087 0.7104 0.2900 0.156 Uiso 1 1 calc R . .
H34B H 0.2515 0.6504 0.3045 0.156 Uiso 1 1 calc R . .
H34C H 0.2680 0.6772 0.2140 0.156 Uiso 1 1 calc R . .
C1S C 0.5000 0.5000 0.1893(13) 0.273(9) Uiso 1 2 d S . .
C2S C 0.4984(18) 0.4804(13) 0.1090(12) 0.185(8) Uiso 0.50 1 d P . .
C3S C 0.4908(19) 0.5210(13) 0.0368(10) 0.193(10) Uiso 0.50 1 d P . .
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
N7 Co1 N1 88.99(9) . . ?
N7 Co1 N5 169.51(8) . 8 ?
N1 Co1 N5 89.51(8) . 8 ?
N7 Co1 N3 89.68(9) . . ?
N1 Co1 N3 168.97(8) . . ?
N5 Co1 N3 89.81(9) 8 . ?
N7 Co1 C41 95.33(10) . . ?
N1 Co1 C41 94.21(9) . . ?
N5 Co1 C41 95.13(10) 8 . ?
N3 Co1 C41 96.82(9) . . ?
N7 Co1 Co2 85.21(6) . . ?
N1 Co1 Co2 85.14(6) . . ?
N5 Co1 Co2 84.31(6) 8 . ?
N3 Co1 Co2 83.84(6) . . ?
C41 Co1 Co2 179.14(8) . . ?
N6 Co2 N6 179.93(15) . 8 ?
N6 Co2 N4 89.97(7) . . ?
N6 Co2 N4 89.97(7) 8 . ?
N6 Co2 N2 90.03(7) . . ?
N6 Co2 N2 90.03(7) 8 . ?
N4 Co2 N2 180.0 . . ?
N6 Co2 Co1 89.64(6) . . ?
N6 Co2 Co1 90.36(6) 8 . ?
N4 Co2 Co1 90.793(12) . . ?
N2 Co2 Co1 89.207(12) . . ?
N6 Co2 Co1 90.36(6) . 8 ?
N6 Co2 Co1 89.64(6) 8 8 ?
N4 Co2 Co1 90.793(12) . 8 ?
N2 Co2 Co1 89.207(12) . 8 ?
Co1 Co2 Co1 178.41(3) . 8 ?
N9 C41 Co1 175.7(3) . . ?
C5 N1 C1 117.8(2) . . ?
C5 N1 Co1 120.43(16) . . ?
C1 N1 Co1 121.68(17) . . ?
C5 N2 C5 124.0(3) . 8 ?
C5 N2 Co2 117.98(13) . . ?
C5 N2 Co2 117.98(13) 8 . ?
C11 N3 C15 117.8(2) . . ?
C11 N3 Co1 120.44(18) . . ?
C15 N3 Co1 121.61(16) . . ?
C15 N4 C15 126.0(3) . 8 ?
C15 N4 Co2 117.01(14) . . ?
C15 N4 Co2 117.01(14) 8 . ?
C21 N5 C25 118.3(2) . . ?
C21 N5 Co1 120.81(17) . 8 ?
C25 N5 Co1 120.72(16) . 8 ?
C25 N6 C26 124.8(2) . . ?
C25 N6 Co2 116.66(16) . . ?
C26 N6 Co2 118.39(17) . . ?
C30 N7 C26 118.1(2) . . ?
C30 N7 Co1 121.60(18) . . ?
C26 N7 Co1 120.25(16) . . ?
N1 C1 C2 123.4(2) . . ?
C1 C2 C3 119.5(2) . . ?
C4 C3 C2 117.3(2) . . ?
C4 C3 C6 121.6(3) . . ?
C2 C3 C6 121.1(3) . . ?
C3 C4 C5 121.4(2) . . ?
N1 C5 N2 115.4(2) . . ?
N1 C5 C4 120.5(2) . . ?
N2 C5 C4 123.7(2) . . ?
C7 C6 C7' 132(3) . . ?
C7 C6 C3 110.6(4) . . ?
C7' C6 C3 105(3) . . ?
N3 C11 C12 123.8(3) . . ?
C11 C12 C13 119.4(3) . . ?
C14 C13 C12 117.4(3) . . ?
C14 C13 C16 120.1(7) . . ?
C12 C13 C16 121.3(7) . . ?
C14 C13 C16 119.9(5) . . ?
C12 C13 C16 121.2(5) . . ?
C16 C13 C16 21.9(5) . . ?
C13 C14 C15 121.5(3) . . ?
N4 C15 N3 115.1(2) . . ?
N4 C15 C14 124.4(2) . . ?
N3 C15 C14 120.1(2) . . ?
C13 C16 C17 106.4(14) . . ?
C17' C16 C13 114.8(11) . . ?
N5 C21 C22 123.4(3) . . ?
C21 C22 C23 119.3(3) . . ?
C24 C23 C22 118.2(3) . . ?
C24 C23 C31 120.5(3) . . ?
C22 C23 C31 121.1(3) . . ?
C23 C24 C25 120.8(3) . . ?
N6 C25 N5 115.7(2) . . ?
N6 C25 C24 124.0(2) . . ?
N5 C25 C24 120.0(2) . . ?
N6 C26 N7 115.6(2) . . ?
N6 C26 C27 124.3(2) . . ?
N7 C26 C27 119.9(2) . . ?
C28 C27 C26 121.0(3) . . ?
C27 C28 C29 118.1(3) . . ?
C27 C28 C33 120.2(3) . . ?
C29 C28 C33 121.7(3) . . ?
C30 C29 C28 119.0(3) . . ?
N7 C30 C29 123.8(3) . . ?
C32' C31 C23 113.1(5) . . ?
C32' C31 C32 26.0(5) . . ?
C23 C31 C32 108.0(4) . . ?
C34 C33 C28 112.8(5) . . ?
C2S C1S C2S 32(2) 2_665 . ?
C2S C2S C3S 90(2) 2_665 2_665 ?
C2S C2S C1S 74.1(11) 2_665 . ?
C3S C2S C1S 162(3) 2_665 . ?
C2S C2S C3S 57.7(15) 2_665 . ?
C3S C2S C3S 38(2) 2_665 . ?
C1S C2S C3S 131(2) . . ?
C3S C3S C2S 85(2) 2_665 2_665 ?
C3S C3S C3S 71.2(10) 2_665 4_655 ?
C2S C3S C3S 154(3) 2_665 4_655 ?
C3S C3S C3S 71.2(10) 2_665 3_565 ?
C2S C3S C3S 143(3) 2_665 3_565 ?
C3S C3S C3S 38(2) 4_655 3_565 ?
C3S C3S C2S 57.3(14) 2_665 . ?
C2S C3S C2S 32(2) 2_665 . ?
C3S C3S C2S 122(2) 4_655 . ?
C3S C3S C2S 127(2) 3_565 . ?
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 N7 1.985(2) . ?
Co1 N1 1.989(2) . ?
Co1 N5 1.995(2) 8 ?
Co1 N3 1.999(2) . ?
Co1 C41 2.025(2) . ?
Co1 Co2 2.3371(4) . ?
Co2 N6 1.894(2) . ?
Co2 N6 1.894(2) 8 ?
Co2 N4 1.899(3) . ?
Co2 N2 1.900(3) . ?
Co2 Co1 2.3371(3) 8 ?
C41 N9 1.152(3) . ?
N1 C5 1.358(3) . ?
N1 C1 1.358(3) . ?
N2 C5 1.365(3) . ?
N2 C5 1.365(3) 8 ?
N3 C11 1.345(3) . ?
N3 C15 1.368(3) . ?
N4 C15 1.361(3) . ?
N4 C15 1.361(3) 8 ?
N5 C21 1.348(3) . ?
N5 C25 1.368(3) . ?
N5 Co1 1.995(2) 8 ?
N6 C25 1.361(3) . ?
N6 C26 1.363(3) . ?
N7 C30 1.343(3) . ?
N7 C26 1.366(3) . ?
C1 C2 1.371(4) . ?
C2 C3 1.399(4) . ?
C3 C4 1.373(4) . ?
C3 C6 1.504(4) . ?
C4 C5 1.404(3) . ?
C6 C7 1.492(7) . ?
C6 C7' 1.500(15) . ?
C11 C12 1.374(4) . ?
C12 C13 1.393(5) . ?
C13 C14 1.371(4) . ?
C13 C16 1.481(16) . ?
C13 C16 1.583(12) . ?
C14 C15 1.407(4) . ?
C16 C17 1.495(19) . ?
C16 C17' 1.455(17) . ?
C21 C22 1.373(4) . ?
C22 C23 1.394(4) . ?
C23 C24 1.372(4) . ?
C23 C31 1.516(4) . ?
C24 C25 1.413(4) . ?
C26 C27 1.419(4) . ?
C27 C28 1.371(4) . ?
C28 C29 1.391(5) . ?
C28 C33 1.522(5) . ?
C29 C30 1.382(4) . ?
C31 C32' 1.442(9) . ?
C31 C32 1.618(10) . ?
C33 C34 1.451(7) . ?
C1S C2S 1.36(2) 2_665 ?
C1S C2S 1.36(2) . ?
C2S C2S 0.74(5) 2_665 ?
C2S C3S 1.19(2) 2_665 ?
C2S C3S 1.41(3) . ?
C3S C3S 0.87(5) 2_665 ?
C3S C2S 1.19(2) 2_665 ?
C3S C3S 1.34(3) 4_655 ?
C3S C3S 1.34(3) 3_565 ?
