#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:26:07 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180393 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/62/7206274.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_7206274
loop_
_publ_author_name
'Chen, Haiyan'
'Xiao, Dongrong'
'He, Jianghong'
'Li, Zhifu'
'Zhang, Guangju'
'Sun, Dianzhen'
'Yuan, Ruo'
'Wang, Enbo'
'Luo, Qun-Li'
_publ_section_title
;
 A series of novel entangled coordination frameworks with inherent
 features of self-threading, polyrotaxane and polycatenane
;
_journal_issue                   15
_journal_name_full               CrystEngComm
_journal_page_first              4988
_journal_paper_doi               10.1039/c1ce05254c
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C76 H50 Co3 N4 O24 S4'
_chemical_formula_weight         1708.23
_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                95.81(3)
_cell_angle_beta                 108.69(3)
_cell_angle_gamma                109.68(3)
_cell_formula_units_Z            1
_cell_length_a                   11.502(2)
_cell_length_b                   13.122(3)
_cell_length_c                   13.598(3)
_cell_measurement_reflns_used    15461
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      3.05
_cell_volume                     1779.5(9)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku RAXIS RAPID IP'
_diffrn_measurement_method       Oscillation
_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  0.0766
_diffrn_reflns_av_sigmaI/netI    0.1071
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15461
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.05
_exptl_absorpt_coefficient_mu    0.895
_exptl_absorpt_correction_T_max  0.7814
_exptl_absorpt_correction_T_min  0.7389
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Sheldrick, 1996)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.594
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             871
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.29
_refine_diff_density_max         0.603
_refine_diff_density_min         -0.667
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     502
_refine_ls_number_reflns         6950
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.1080
_refine_ls_R_factor_gt           0.0564
_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)+(0.0550P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1142
_refine_ls_wR_factor_ref         0.1350
_reflns_number_gt                4273
_reflns_number_total             6950
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce05254c.txt
_cod_data_source_block           x20b
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1779.5(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7206274
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
Co1 Co 0.15446(6) -0.17998(5) 0.02465(4) 0.02910(17) Uani 1 1 d . . .
Co2 Co 0.0000 0.0000 0.0000 0.0245(2) Uani 1 2 d S . .
S1 S 0.50343(12) 0.25826(11) -0.33608(8) 0.0392(3) Uani 1 1 d . . .
S2 S -0.67481(12) -0.44476(11) -0.37689(9) 0.0393(3) Uani 1 1 d . . .
O1 O 0.2559(3) -0.0868(3) -0.0538(2) 0.0388(8) Uani 1 1 d . . .
O2 O 0.1678(3) 0.0397(3) -0.0393(2) 0.0359(8) Uani 1 1 d . . .
O3 O 0.0988(3) 0.0105(3) -0.8427(2) 0.0355(8) Uani 1 1 d . . .
O4 O 0.2515(3) -0.0627(3) -0.8320(2) 0.0384(8) Uani 1 1 d . . .
O5 O 0.4846(4) 0.3611(3) -0.3294(3) 0.0575(11) Uani 1 1 d . . .
O6 O 0.6363(3) 0.2597(3) -0.3077(2) 0.0511(10) Uani 1 1 d . . .
O7 O -0.0335(3) -0.1703(2) -0.0384(2) 0.0315(7) Uani 1 1 d . . .
O8 O -0.0117(3) -0.2885(3) -0.1500(3) 0.0476(9) Uani 1 1 d . . .
O9 O -0.9627(5) -0.1010(4) -0.5697(3) 0.0783(13) Uani 1 1 d . . .
O10 O -0.9333(5) -0.0523(4) -0.3994(3) 0.0759(13) Uani 1 1 d . . .
O11 O -0.7235(3) -0.4952(3) -0.3019(3) 0.0540(10) Uani 1 1 d . . .
O12 O -0.7001(3) -0.5113(3) -0.4775(3) 0.0540(10) Uani 1 1 d . . .
N1 N 0.2404(3) -0.2989(3) 0.0250(2) 0.0306(9) Uani 1 1 d . . .
N2 N 0.0658(4) -0.2912(3) 0.1076(3) 0.0360(9) Uani 1 1 d . . .
C1 C 0.3072(4) 0.0649(4) -0.1353(3) 0.0302(10) Uani 1 1 d . . .
C2 C 0.2676(5) 0.1445(4) -0.1765(4) 0.0440(13) Uani 1 1 d . . .
H2A H 0.2001 0.1591 -0.1623 0.053 Uiso 1 1 calc R . .
C3 C 0.3261(5) 0.2034(5) -0.2385(4) 0.0466(13) Uani 1 1 d . . .
H3A H 0.2975 0.2562 -0.2669 0.056 Uiso 1 1 calc R . .
C4 C 0.4278(4) 0.1825(4) -0.2577(3) 0.0328(11) Uani 1 1 d . . .
C5 C 0.4721(5) 0.1055(4) -0.2153(3) 0.0352(11) Uani 1 1 d . . .
H5A H 0.5420 0.0935 -0.2275 0.042 Uiso 1 1 calc R . .
C6 C 0.4120(4) 0.0461(4) -0.1545(3) 0.0342(11) Uani 1 1 d . . .
H6A H 0.4411 -0.0066 -0.1261 0.041 Uiso 1 1 calc R . .
C7 C 0.4105(4) 0.1778(4) -0.4686(3) 0.0316(10) Uani 1 1 d . . .
C8 C 0.2902(5) 0.1794(4) -0.5256(3) 0.0452(13) Uani 1 1 d . . .
H8A H 0.2540 0.2202 -0.4939 0.054 Uiso 1 1 calc R . .
C9 C 0.2219(5) 0.1201(4) -0.6310(3) 0.0392(12) Uani 1 1 d . . .
H9A H 0.1398 0.1213 -0.6703 0.047 Uiso 1 1 calc R . .
C10 C 0.2758(4) 0.0588(4) -0.6782(3) 0.0310(10) Uani 1 1 d . . .
C11 C 0.3983(5) 0.0592(5) -0.6193(3) 0.0481(14) Uani 1 1 d . . .
H11A H 0.4357 0.0196 -0.6511 0.058 Uiso 1 1 calc R . .
C12 C 0.4665(5) 0.1173(4) -0.5138(3) 0.0474(14) Uani 1 1 d . . .
H12A H 0.5482 0.1159 -0.4739 0.057 Uiso 1 1 calc R . .
C13 C 0.2383(4) 0.0013(4) -0.0710(3) 0.0313(10) Uani 1 1 d . . .
C14 C 0.2027(4) -0.0022(4) -0.7944(3) 0.0335(11) Uani 1 1 d . . .
C15 C -0.2282(4) -0.2862(4) -0.1913(3) 0.0320(10) Uani 1 1 d . . .
C16 C -0.2810(4) -0.3575(4) -0.2910(3) 0.0379(11) Uani 1 1 d . . .
H16A H -0.2248 -0.3771 -0.3181 0.045 Uiso 1 1 calc R . .
C17 C -0.4150(5) -0.3995(4) -0.3500(3) 0.0395(12) Uani 1 1 d . . .
H17A H -0.4492 -0.4463 -0.4174 0.047 Uiso 1 1 calc R . .
C18 C -0.4996(4) -0.3729(4) -0.3102(3) 0.0330(10) Uani 1 1 d . . .
C19 C -0.4477(5) -0.2989(4) -0.2112(3) 0.0409(12) Uani 1 1 d . . .
H19A H -0.5040 -0.2788 -0.1847 0.049 Uiso 1 1 calc R . .
C20 C -0.3134(5) -0.2560(4) -0.1531(3) 0.0394(12) Uani 1 1 d . . .
H20A H -0.2786 -0.2061 -0.0873 0.047 Uiso 1 1 calc R . .
C21 C -0.7420(5) -0.3419(4) -0.4025(3) 0.0404(12) Uani 1 1 d . . .
C22 C -0.7619(5) -0.3130(5) -0.5003(4) 0.0494(14) Uani 1 1 d . . .
H22A H -0.7371 -0.3446 -0.5504 0.059 Uiso 1 1 calc R . .
C23 C -0.8194(5) -0.2366(5) -0.5219(4) 0.0541(15) Uani 1 1 d . . .
H23A H -0.8323 -0.2157 -0.5867 0.065 Uiso 1 1 calc R . .
C24 C -0.8581(5) -0.1908(4) -0.4469(4) 0.0464(13) Uani 1 1 d . . .
C25 C -0.8363(6) -0.2196(5) -0.3494(4) 0.0527(14) Uani 1 1 d . . .
H25A H -0.8600 -0.1877 -0.2987 0.063 Uiso 1 1 calc R . .
C26 C -0.7792(5) -0.2957(4) -0.3282(4) 0.0457(13) Uani 1 1 d . . .
H26A H -0.7656 -0.3162 -0.2632 0.055 Uiso 1 1 calc R . .
C27 C -0.0835(4) -0.2455(4) -0.1257(3) 0.0326(10) Uani 1 1 d . . .
C28 C -0.9200(5) -0.1082(5) -0.4715(5) 0.0553(15) Uani 1 1 d . . .
C29 C 0.3285(5) -0.2977(4) -0.0184(3) 0.0411(12) Uani 1 1 d . . .
H29A H 0.3551 -0.2404 -0.0516 0.049 Uiso 1 1 calc R . .
C30 C 0.3827(6) -0.3760(5) -0.0173(4) 0.0610(16) Uani 1 1 d . . .
H30A H 0.4443 -0.3725 -0.0488 0.073 Uiso 1 1 calc R . .
C31 C 0.3430(6) -0.4596(5) 0.0319(5) 0.0644(17) Uani 1 1 d . . .
H31A H 0.3780 -0.5141 0.0345 0.077 Uiso 1 1 calc R . .
C32 C 0.2523(6) -0.4634(4) 0.0771(4) 0.0495(14) Uani 1 1 d . . .
H32A H 0.2249 -0.5202 0.1106 0.059 Uiso 1 1 calc R . .
C33 C 0.2012(4) -0.3814(4) 0.0725(3) 0.0332(10) Uani 1 1 d . . .
C34 C 0.1034(4) -0.3772(4) 0.1203(3) 0.0342(10) Uani 1 1 d . . .
C35 C 0.0546(5) -0.4529(4) 0.1755(4) 0.0451(12) Uani 1 1 d . . .
H35A H 0.0805 -0.5125 0.1828 0.054 Uiso 1 1 calc R . .
C36 C -0.0325(5) -0.4390(5) 0.2192(4) 0.0520(14) Uani 1 1 d . . .
H36A H -0.0657 -0.4888 0.2571 0.062 Uiso 1 1 calc R . .
C37 C -0.0705(6) -0.3516(5) 0.2068(5) 0.0596(16) Uani 1 1 d . . .
H37A H -0.1296 -0.3411 0.2361 0.071 Uiso 1 1 calc R . .
C38 C -0.0201(5) -0.2804(5) 0.1510(4) 0.0494(14) Uani 1 1 d . . .
H38B H -0.0466 -0.2212 0.1425 0.059 Uiso 1 1 calc R . .
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'
S S 0.1246 0.1234 '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
O1 Co1 O4 95.25(13) . 1_556 ?
O1 Co1 O7 102.33(12) . . ?
O4 Co1 O7 103.98(11) 1_556 . ?
O1 Co1 N1 95.23(13) . . ?
O4 Co1 N1 110.52(13) 1_556 . ?
O7 Co1 N1 139.45(13) . . ?
O1 Co1 N2 171.63(13) . . ?
O4 Co1 N2 86.90(14) 1_556 . ?
O7 Co1 N2 84.94(13) . . ?
N1 Co1 N2 76.47(14) . . ?
O3 Co2 O3 180.00(8) 1_556 2_554 ?
O3 Co2 O2 95.42(12) 1_556 . ?
O3 Co2 O2 84.58(12) 2_554 . ?
O3 Co2 O2 84.58(12) 1_556 2 ?
O3 Co2 O2 95.42(12) 2_554 2 ?
O2 Co2 O2 180.0(2) . 2 ?
O3 Co2 O7 89.45(12) 1_556 2 ?
O3 Co2 O7 90.55(12) 2_554 2 ?
O2 Co2 O7 90.73(12) . 2 ?
O2 Co2 O7 89.27(12) 2 2 ?
O3 Co2 O7 90.55(12) 1_556 . ?
O3 Co2 O7 89.45(12) 2_554 . ?
O2 Co2 O7 89.27(12) . . ?
O2 Co2 O7 90.73(12) 2 . ?
O7 Co2 O7 180.00(15) 2 . ?
O5 S1 O6 119.9(2) . . ?
O5 S1 C4 107.7(2) . . ?
O6 S1 C4 108.2(2) . . ?
O5 S1 C7 108.1(2) . . ?
O6 S1 C7 106.9(2) . . ?
C4 S1 C7 105.1(2) . . ?
O11 S2 O12 120.3(2) . . ?
O11 S2 C18 106.8(2) . . ?
O12 S2 C18 108.0(2) . . ?
O11 S2 C21 106.2(2) . . ?
O12 S2 C21 108.0(2) . . ?
C18 S2 C21 106.8(2) . . ?
C13 O1 Co1 118.6(3) . . ?
C13 O2 Co2 144.9(3) . . ?
C14 O3 Co2 132.7(3) . 1_554 ?
C14 O4 Co1 125.4(3) . 1_554 ?
C27 O7 Co1 98.3(2) . . ?
C27 O7 Co2 134.9(3) . . ?
Co1 O7 Co2 106.55(13) . . ?
C29 N1 C33 118.5(4) . . ?
C29 N1 Co1 124.8(3) . . ?
C33 N1 Co1 116.7(3) . . ?
C38 N2 C34 117.9(4) . . ?
C38 N2 Co1 125.5(3) . . ?
C34 N2 Co1 116.6(3) . . ?
C2 C1 C6 118.8(4) . . ?
C2 C1 C13 119.3(4) . . ?
C6 C1 C13 121.9(4) . . ?
C1 C2 C3 121.3(4) . . ?
C1 C2 H2A 119.4 . . ?
C3 C2 H2A 119.4 . . ?
C2 C3 C4 119.0(5) . . ?
C2 C3 H3A 120.5 . . ?
C4 C3 H3A 120.5 . . ?
C5 C4 C3 121.1(4) . . ?
C5 C4 S1 119.8(3) . . ?
C3 C4 S1 119.0(4) . . ?
C4 C5 C6 119.5(4) . . ?
C4 C5 H5A 120.2 . . ?
C6 C5 H5A 120.2 . . ?
C5 C6 C1 120.2(4) . . ?
C5 C6 H6A 119.9 . . ?
C1 C6 H6A 119.9 . . ?
C8 C7 C12 121.3(4) . . ?
C8 C7 S1 120.7(3) . . ?
C12 C7 S1 118.0(3) . . ?
C7 C8 C9 119.8(4) . . ?
C7 C8 H8A 120.1 . . ?
C9 C8 H8A 120.1 . . ?
C8 C9 C10 120.1(4) . . ?
C8 C9 H9A 120.0 . . ?
C10 C9 H9A 120.0 . . ?
C11 C10 C9 119.2(4) . . ?
C11 C10 C14 121.2(4) . . ?
C9 C10 C14 119.6(4) . . ?
C10 C11 C12 121.1(4) . . ?
C10 C11 H11A 119.5 . . ?
C12 C11 H11A 119.5 . . ?
C11 C12 C7 118.6(4) . . ?
C11 C12 H12A 120.7 . . ?
C7 C12 H12A 120.7 . . ?
O2 C13 O1 125.7(4) . . ?
O2 C13 C1 116.6(4) . . ?
O1 C13 C1 117.7(4) . . ?
O3 C14 O4 126.6(4) . . ?
O3 C14 C10 116.1(4) . . ?
O4 C14 C10 117.2(4) . . ?
C16 C15 C20 118.9(4) . . ?
C16 C15 C27 120.1(4) . . ?
C20 C15 C27 121.0(4) . . ?
C17 C16 C15 120.6(4) . . ?
C17 C16 H16A 119.7 . . ?
C15 C16 H16A 119.7 . . ?
C16 C17 C18 120.4(4) . . ?
C16 C17 H17A 119.8 . . ?
C18 C17 H17A 119.8 . . ?
C17 C18 C19 119.7(4) . . ?
C17 C18 S2 120.0(3) . . ?
C19 C18 S2 119.8(3) . . ?
C20 C19 C18 119.6(4) . . ?
C20 C19 H19A 120.2 . . ?
C18 C19 H19A 120.2 . . ?
C19 C20 C15 120.7(4) . . ?
C19 C20 H20A 119.6 . . ?
C15 C20 H20A 119.6 . . ?
C26 C21 C22 120.8(5) . . ?
C26 C21 S2 120.2(4) . . ?
C22 C21 S2 118.9(3) . . ?
C23 C22 C21 118.9(4) . . ?
C23 C22 H22A 120.6 . . ?
C21 C22 H22A 120.6 . . ?
C22 C23 C24 120.2(5) . . ?
C22 C23 H23A 119.9 . . ?
C24 C23 H23A 119.9 . . ?
C25 C24 C23 120.2(5) . . ?
C25 C24 C28 120.3(5) . . ?
C23 C24 C28 119.5(5) . . ?
C26 C25 C24 119.5(4) . . ?
C26 C25 H25A 120.3 . . ?
C24 C25 H25A 120.3 . . ?
C25 C26 C21 120.4(5) . . ?
C25 C26 H26A 119.8 . . ?
C21 C26 H26A 119.8 . . ?
O8 C27 O7 119.4(4) . . ?
O8 C27 C15 121.0(4) . . ?
O7 C27 C15 119.4(4) . . ?
O10 C28 O9 122.4(5) . . ?
O10 C28 C24 120.1(5) . . ?
O9 C28 C24 117.5(5) . . ?
N1 C29 C30 123.7(5) . . ?
N1 C29 H29A 118.2 . . ?
C30 C29 H29A 118.2 . . ?
C31 C30 C29 117.6(5) . . ?
C31 C30 H30A 121.2 . . ?
C29 C30 H30A 121.2 . . ?
C32 C31 C30 120.2(5) . . ?
C32 C31 H31A 119.9 . . ?
C30 C31 H31A 119.9 . . ?
C31 C32 C33 119.1(5) . . ?
C31 C32 H32A 120.5 . . ?
C33 C32 H32A 120.5 . . ?
N1 C33 C32 121.0(4) . . ?
N1 C33 C34 115.7(4) . . ?
C32 C33 C34 123.3(4) . . ?
N2 C34 C35 121.4(4) . . ?
N2 C34 C33 114.5(4) . . ?
C35 C34 C33 124.1(4) . . ?
C36 C35 C34 119.1(5) . . ?
C36 C35 H35A 120.5 . . ?
C34 C35 H35A 120.5 . . ?
C37 C36 C35 119.7(5) . . ?
C37 C36 H36A 120.2 . . ?
C35 C36 H36A 120.2 . . ?
C38 C37 C36 118.7(5) . . ?
C38 C37 H37A 120.7 . . ?
C36 C37 H37A 120.7 . . ?
N2 C38 C37 123.3(5) . . ?
N2 C38 H38B 118.4 . . ?
C37 C38 H38B 118.4 . . ?
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 O1 2.024(3) . ?
Co1 O4 2.062(3) 1_556 ?
Co1 O7 2.108(3) . ?
Co1 N1 2.110(4) . ?
Co1 N2 2.124(4) . ?
Co2 O3 2.041(3) 1_556 ?
Co2 O3 2.041(3) 2_554 ?
Co2 O2 2.080(3) . ?
Co2 O2 2.080(3) 2 ?
Co2 O7 2.114(3) 2 ?
Co2 O7 2.114(3) . ?
S1 O5 1.435(4) . ?
S1 O6 1.444(3) . ?
S1 C4 1.762(5) . ?
S1 C7 1.767(4) . ?
S2 O11 1.429(3) . ?
S2 O12 1.432(3) . ?
S2 C18 1.774(5) . ?
S2 C21 1.780(5) . ?
O1 C13 1.270(5) . ?
O2 C13 1.245(5) . ?
O3 C14 1.241(5) . ?
O3 Co2 2.041(3) 1_554 ?
O4 C14 1.269(5) . ?
O4 Co1 2.062(3) 1_554 ?
O7 C27 1.288(5) . ?
O8 C27 1.250(5) . ?
O9 C28 1.292(7) . ?
O10 C28 1.244(6) . ?
N1 C29 1.323(5) . ?
N1 C33 1.338(6) . ?
N2 C38 1.340(5) . ?
N2 C34 1.346(6) . ?
C1 C2 1.375(6) . ?
C1 C6 1.404(6) . ?
C1 C13 1.495(6) . ?
C2 C3 1.380(6) . ?
C2 H2A 0.9300 . ?
C3 C4 1.382(6) . ?
C3 H3A 0.9300 . ?
C4 C5 1.375(6) . ?
C5 C6 1.379(6) . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9300 . ?
C7 C8 1.360(6) . ?
C7 C12 1.387(6) . ?
C8 C9 1.385(6) . ?
C8 H8A 0.9300 . ?
C9 C10 1.389(6) . ?
C9 H9A 0.9300 . ?
C10 C11 1.378(6) . ?
C10 C14 1.510(5) . ?
C11 C12 1.382(6) . ?
C11 H11A 0.9300 . ?
C12 H12A 0.9300 . ?
C15 C16 1.384(6) . ?
C15 C20 1.390(6) . ?
C15 C27 1.484(6) . ?
C16 C17 1.367(6) . ?
C16 H16A 0.9300 . ?
C17 C18 1.374(6) . ?
C17 H17A 0.9300 . ?
C18 C19 1.394(6) . ?
C19 C20 1.366(6) . ?
C19 H19A 0.9300 . ?
C20 H20A 0.9300 . ?
C21 C26 1.379(6) . ?
C21 C22 1.389(7) . ?
C22 C23 1.382(7) . ?
C22 H22A 0.9300 . ?
C23 C24 1.396(6) . ?
C23 H23A 0.9300 . ?
C24 C25 1.384(7) . ?
C24 C28 1.495(7) . ?
C25 C26 1.375(7) . ?
C25 H25A 0.9300 . ?
C26 H26A 0.9300 . ?
C29 C30 1.369(7) . ?
C29 H29A 0.9300 . ?
C30 C31 1.366(8) . ?
C30 H30A 0.9300 . ?
C31 C32 1.360(7) . ?
C31 H31A 0.9300 . ?
C32 C33 1.387(6) . ?
C32 H32A 0.9300 . ?
C33 C34 1.481(6) . ?
C34 C35 1.383(6) . ?
C35 C36 1.368(6) . ?
C35 H35A 0.9300 . ?
C36 C37 1.364(7) . ?
C36 H36A 0.9300 . ?
C37 C38 1.359(7) . ?
C37 H37A 0.9300 . ?
C38 H38B 0.9300 . ?
