#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/02/7050203.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_7050203
loop_
_publ_author_name
'Golovko, Vladimir B.'
'Hope-Weeks, Louisa J.'
'Mays, Martin J.'
'McPartlin, Mary'
'Sloan, Anna M.'
'Woods, Anthony D.'
_publ_section_title
;
 Synthesis of cobalt-containing cyclophanes, and the formation of an
 unprecedented seven-membered cyclic diyneElectronic supplementary
 information (ESI) available: crystallographic data for complexes 8 and
 11. See http://www.rsc.org/suppdata/nj/b3/b310515f/
;
_journal_issue                   4
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              527
_journal_paper_doi               10.1039/b310515f
_journal_volume                  28
_journal_year                    2004
_chemical_formula_sum            'C34 H28 Cl1.5 Co4 O13 S2'
_chemical_formula_weight         997.58
_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                69.498(2)
_cell_angle_beta                 73.291(2)
_cell_angle_gamma                81.816(2)
_cell_formula_units_Z            2
_cell_length_a                   12.4650(4)
_cell_length_b                   12.9587(5)
_cell_length_c                   13.8733(4)
_cell_measurement_temperature    180(2)
_cell_volume                     2008.22(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0415
_diffrn_reflns_av_sigmaI/netI    0.0776
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            18407
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.70
_exptl_absorpt_coefficient_mu    1.887
_exptl_absorpt_correction_T_max  0.8337
_exptl_absorpt_correction_T_min  0.8052
_exptl_crystal_density_diffrn    1.650
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1003
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.950
_refine_diff_density_min         -1.253
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     488
_refine_ls_number_reflns         9128
_refine_ls_number_restraints     11
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.1009
_refine_ls_R_factor_gt           0.0549
_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)+(0.0556P)²+2.9100P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1278
_refine_ls_wR_factor_ref         0.1477
_reflns_number_gt                5755
_reflns_number_total             9128
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b310515f.txt
_cod_data_source_block           mm0207i_COMPOUND_17
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C34 H28 Cl1.50 Co4 O13 S2'
_cod_database_code               7050203
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
C0 C 0.9689(17) -0.8867(14) 0.8476(11) 0.1298(10) Uiso 0.50 1 d PD A 1
H0 H 1.0446 -0.9216 0.8534 0.156 Uiso 0.50 1 calc PR A 1
Co1 Co 0.93637(5) -0.32990(5) 0.63720(5) 0.02979(17) Uani 1 1 d . . .
S1 S 0.28177(12) 0.05752(13) 0.75165(12) 0.0529(4) Uani 1 1 d . . .
O1 O 0.4331(4) -0.2365(4) 0.7581(4) 0.0856(16) Uani 1 1 d . . .
C1 C 0.8472(4) -0.3583(4) 0.7858(3) 0.0283(10) Uani 1 1 d . . .
Cl1 Cl 0.9002(5) -0.8775(5) 0.9653(4) 0.1298(10) Uiso 0.50 1 d PD A 1
Co2 Co 0.98738(5) -0.30091(5) 0.78386(4) 0.02867(16) Uani 1 1 d . . .
S2 S 0.66732(12) -0.47687(11) 0.81102(12) 0.0473(3) Uani 1 1 d . . .
C2 C 0.8505(3) -0.2492(4) 0.7325(3) 0.0250(9) Uani 1 1 d . . .
Cl2 Cl 0.9889(5) -0.7635(5) 0.7468(4) 0.1298(10) Uiso 0.50 1 d PD A 1
Co3 Co 0.51256(5) 0.25688(5) 0.57257(4) 0.02370(15) Uani 1 1 d . . .
C3 C 0.7828(3) -0.1457(3) 0.7194(3) 0.0245(9) Uani 1 1 d . . .
Cl3 Cl 0.9014(5) -0.9739(5) 0.8118(5) 0.1298(10) Uiso 0.50 1 d PD A 1
Co4 Co 0.56459(5) 0.28341(5) 0.72046(4) 0.02626(16) Uani 1 1 d . . .
C4 C 0.7268(4) -0.1122(4) 0.8072(3) 0.0358(12) Uani 1 1 d . . .
H4 H 0.7359 -0.1559 0.8757 0.043 Uiso 1 1 calc R . .
C5 C 0.6589(4) -0.0177(4) 0.7970(3) 0.0368(12) Uani 1 1 d . . .
H5 H 0.6226 0.0030 0.8582 0.044 Uiso 1 1 calc R . .
C6 C 0.6424(4) 0.0483(3) 0.6980(3) 0.0244(9) Uani 1 1 d . . .
C7 C 0.6998(4) 0.0170(3) 0.6105(3) 0.0259(9) Uani 1 1 d . . .
H7 H 0.6913 0.0613 0.5420 0.031 Uiso 1 1 calc R . .
C8 C 0.7693(4) -0.0769(4) 0.6204(3) 0.0277(10) Uani 1 1 d . . .
H8 H 0.8087 -0.0952 0.5585 0.033 Uiso 1 1 calc R . .
C9 C 0.5647(4) 0.1446(3) 0.6891(3) 0.0243(9) Uani 1 1 d . . .
C10 C 0.4587(4) 0.1791(3) 0.7261(3) 0.0262(10) Uani 1 1 d . . .
C11 C 0.3476(4) 0.1410(4) 0.8002(3) 0.0326(11) Uani 1 1 d . . .
C12 C 0.2618(4) 0.2381(5) 0.8016(5) 0.0566(17) Uani 1 1 d . . .
H12C H 0.2846 0.2856 0.8332 0.085 Uiso 1 1 calc R . .
H12B H 0.1879 0.2102 0.8439 0.085 Uiso 1 1 calc R . .
H12A H 0.2582 0.2808 0.7286 0.085 Uiso 1 1 calc R . .
C13 C 0.3603(5) 0.0771(5) 0.9122(4) 0.0620(18) Uani 1 1 d . . .
H13C H 0.3893 0.1253 0.9389 0.093 Uiso 1 1 calc R . .
H13B H 0.4127 0.0134 0.9103 0.093 Uiso 1 1 calc R . .
H13A H 0.2871 0.0517 0.9594 0.093 Uiso 1 1 calc R . .
C14 C 0.3799(6) -0.0521(6) 0.7308(8) 0.106(3) Uani 1 1 d . . .
H14B H 0.3872 -0.0527 0.6580 0.127 Uiso 1 1 calc R . .
H14A H 0.4537 -0.0339 0.7323 0.127 Uiso 1 1 calc R . .
C15 C 0.3582(6) -0.1599(6) 0.8012(5) 0.084(3) Uani 1 1 d . . .
H15B H 0.2797 -0.1761 0.8115 0.101 Uiso 1 1 calc R . .
H15A H 0.3689 -0.1669 0.8713 0.101 Uiso 1 1 calc R . .
C16 C 0.4919(5) -0.3144(5) 0.8239(5) 0.0559(16) Uani 1 1 d . . .
H16B H 0.4458 -0.3789 0.8684 0.067 Uiso 1 1 calc R . .
H16A H 0.5116 -0.2825 0.8714 0.067 Uiso 1 1 calc R . .
C17 C 0.5957(5) -0.3485(4) 0.7536(4) 0.0461(13) Uani 1 1 d . . .
H17B H 0.6493 -0.2891 0.7269 0.055 Uiso 1 1 calc R . .
H17A H 0.5757 -0.3532 0.6912 0.055 Uiso 1 1 calc R . .
C18 C 0.7690(4) -0.4441(4) 0.8684(4) 0.0385(12) Uani 1 1 d . . .
C19 C 0.7028(5) -0.4041(5) 0.9617(4) 0.0537(15) Uani 1 1 d . . .
H19C H 0.7550 -0.3907 0.9966 0.081 Uiso 1 1 calc R . .
H19B H 0.6513 -0.4605 1.0130 0.081 Uiso 1 1 calc R . .
H19A H 0.6599 -0.3356 0.9349 0.081 Uiso 1 1 calc R . .
C20 C 0.8321(5) -0.5535(4) 0.9090(5) 0.0606(17) Uani 1 1 d . . .
H20C H 0.8836 -0.5441 0.9468 0.091 Uiso 1 1 calc R . .
H20B H 0.8748 -0.5775 0.8487 0.091 Uiso 1 1 calc R . .
H20A H 0.7784 -0.6091 0.9577 0.091 Uiso 1 1 calc R . .
C51 C 0.8968(13) -0.8545(12) 0.8080(10) 0.082(2) Uiso 0.50 1 d PD B 2
H51A H 0.8946 -0.7938 0.8354 0.122 Uiso 0.50 1 calc PR B 2
H51B H 0.8203 -0.8688 0.8119 0.122 Uiso 0.50 1 calc PR B 2
H51C H 0.9413 -0.8343 0.7338 0.122 Uiso 0.50 1 calc PR B 2
C52 C 0.9506(13) -0.9591(12) 0.8757(10) 0.082(2) Uiso 0.50 1 d PD B 2
H52A H 0.8984 -1.0192 0.8992 0.098 Uiso 0.50 1 calc PR B 2
H52B H 1.0195 -0.9796 0.8278 0.098 Uiso 0.50 1 calc PR B 2
C53 C 0.9787(13) -0.9590(10) 0.9626(9) 0.082(2) Uiso 0.50 1 d PD . 2
H53A H 0.9099 -0.9306 1.0043 0.098 Uiso 0.50 1 calc PR . 2
H53B H 1.0327 -0.8998 0.9350 0.098 Uiso 0.50 1 calc PR . 2
O101 O 0.7761(4) -0.3270(4) 0.5178(3) 0.0651(12) Uani 1 1 d . . .
C101 C 0.8366(4) -0.3310(4) 0.5664(4) 0.0407(12) Uani 1 1 d . . .
O102 O 1.0747(4) -0.1582(4) 0.4638(3) 0.0659(12) Uani 1 1 d . . .
C102 C 1.0230(4) -0.2252(5) 0.5289(4) 0.0407(12) Uani 1 1 d . . .
O103 O 1.0578(5) -0.5414(4) 0.6315(4) 0.0946(18) Uani 1 1 d . . .
C103 C 1.0115(5) -0.4602(5) 0.6341(4) 0.0530(15) Uani 1 1 d . . .
O201 O 0.9343(4) -0.2793(4) 0.9953(3) 0.0659(12) Uani 1 1 d . . .
C201 C 0.9546(4) -0.2871(4) 0.9122(4) 0.0409(12) Uani 1 1 d . . .
C202 C 1.0709(4) -0.1800(5) 0.7098(4) 0.0415(12) Uani 1 1 d . . .
O202 O 1.1207(4) -0.1036(4) 0.6623(3) 0.0651(12) Uani 1 1 d . . .
O203 O 1.1492(3) -0.4917(4) 0.8180(3) 0.0656(13) Uani 1 1 d . . .
C203 C 1.0876(4) -0.4178(5) 0.8044(4) 0.0414(12) Uani 1 1 d . . .
O301 O 0.7231(3) 0.3164(3) 0.4048(3) 0.0536(11) Uani 1 1 d . . .
C301 C 0.6422(4) 0.2951(4) 0.4675(3) 0.0339(11) Uani 1 1 d . . .
O302 O 0.3632(3) 0.4562(3) 0.5316(3) 0.0468(9) Uani 1 1 d . . .
C302 C 0.4196(4) 0.3790(4) 0.5459(3) 0.0308(10) Uani 1 1 d . . .
O303 O 0.4264(3) 0.1217(3) 0.4826(3) 0.0550(10) Uani 1 1 d . . .
C303 C 0.4584(4) 0.1739(4) 0.5180(4) 0.0364(11) Uani 1 1 d . . .
O401 O 0.4258(3) 0.4851(3) 0.7338(3) 0.0506(10) Uani 1 1 d . . .
C401 C 0.4783(4) 0.4073(4) 0.7284(4) 0.0359(11) Uani 1 1 d . . .
O402 O 0.7916(3) 0.3654(3) 0.6046(3) 0.0544(10) Uani 1 1 d . . .
C402 C 0.7040(5) 0.3343(4) 0.6490(4) 0.0380(12) Uani 1 1 d . . .
O403 O 0.5961(5) 0.2039(4) 0.9359(3) 0.0772(15) Uani 1 1 d . . .
C403 C 0.5838(5) 0.2340(4) 0.8521(4) 0.0452(13) 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'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
Cl1 C0 Cl2 114.8(11) . . ?
Cl1 C0 Cl3 110.9(10) . . ?
Cl2 C0 Cl3 108.8(9) . . ?
C101 Co1 C103 98.3(3) . . ?
C101 Co1 C102 96.2(2) . . ?
C103 Co1 C102 104.7(3) . . ?
C101 Co1 C2 101.50(19) . . ?
C103 Co1 C2 143.5(2) . . ?
C102 Co1 C2 103.3(2) . . ?
C101 Co1 C1 104.3(2) . . ?
C103 Co1 C1 105.1(2) . . ?
C102 Co1 C1 140.5(2) . . ?
C2 Co1 C1 40.11(17) . . ?
C101 Co1 Co2 152.33(15) . . ?
C103 Co1 Co2 101.60(18) . . ?
C102 Co1 Co2 97.11(17) . . ?
C2 Co1 Co2 51.75(12) . . ?
C1 Co1 Co2 51.83(14) . . ?
C14 S1 C11 107.4(3) . . ?
C16 O1 C15 117.5(5) . . ?
C2 C1 C18 141.3(4) . . ?
C2 C1 Co1 69.3(2) . . ?
C18 C1 Co1 137.4(4) . . ?
C2 C1 Co2 69.9(3) . . ?
C18 C1 Co2 133.2(3) . . ?
Co1 C1 Co2 76.76(16) . . ?
C201 Co2 C203 98.5(2) . . ?
C201 Co2 C202 98.4(2) . . ?
C203 Co2 C202 105.7(2) . . ?
C201 Co2 C2 105.7(2) . . ?
C203 Co2 C2 141.6(2) . . ?
C202 Co2 C2 99.9(2) . . ?
C201 Co2 C1 102.0(2) . . ?
C203 Co2 C1 106.6(2) . . ?
C202 Co2 C1 138.5(2) . . ?
C2 Co2 C1 39.77(17) . . ?
C201 Co2 Co1 152.62(18) . . ?
C203 Co2 Co1 96.13(17) . . ?
C202 Co2 Co1 99.79(16) . . ?
C2 Co2 Co1 50.96(12) . . ?
C1 Co2 Co1 51.41(12) . . ?
C17 S2 C18 106.8(2) . . ?
C1 C2 C3 143.0(4) . . ?
C1 C2 Co1 70.6(2) . . ?
C3 C2 Co1 135.1(3) . . ?
C1 C2 Co2 70.4(3) . . ?
C3 C2 Co2 132.3(3) . . ?
Co1 C2 Co2 77.29(15) . . ?
C303 Co3 C302 100.0(2) . . ?
C303 Co3 C301 98.1(2) . . ?
C302 Co3 C301 104.4(2) . . ?
C303 Co3 C9 102.00(19) . . ?
C302 Co3 C9 141.69(18) . . ?
C301 Co3 C9 103.12(19) . . ?
C303 Co3 C10 101.0(2) . . ?
C302 Co3 C10 104.89(18) . . ?
C301 Co3 C10 141.40(19) . . ?
C9 Co3 C10 40.11(17) . . ?
C303 Co3 Co4 151.22(15) . . ?
C302 Co3 Co4 96.92(15) . . ?
C301 Co3 Co4 100.05(15) . . ?
C9 Co3 Co4 52.07(12) . . ?
C10 Co3 Co4 51.83(13) . . ?
C8 C3 C4 116.8(4) . . ?
C8 C3 C2 122.3(4) . . ?
C4 C3 C2 120.9(4) . . ?
C403 Co4 C401 98.6(2) . . ?
C403 Co4 C402 98.2(2) . . ?
C401 Co4 C402 103.9(2) . . ?
C403 Co4 C10 103.1(2) . . ?
C401 Co4 C10 104.6(2) . . ?
C402 Co4 C10 141.16(19) . . ?
C403 Co4 C9 102.8(2) . . ?
C401 Co4 C9 141.6(2) . . ?
C402 Co4 C9 104.2(2) . . ?
C10 Co4 C9 39.54(17) . . ?
C403 Co4 Co3 151.74(18) . . ?
C401 Co4 Co3 99.34(16) . . ?
C402 Co4 Co3 98.46(15) . . ?
C10 Co4 Co3 51.11(11) . . ?
C9 Co4 Co3 50.83(11) . . ?
C5 C4 C3 121.6(4) . . ?
C4 C5 C6 121.0(4) . . ?
C7 C6 C5 117.6(4) . . ?
C7 C6 C9 121.9(4) . . ?
C5 C6 C9 120.5(4) . . ?
C8 C7 C6 121.4(4) . . ?
C7 C8 C3 121.4(4) . . ?
C10 C9 C6 143.9(4) . . ?
C10 C9 Co3 70.3(2) . . ?
C6 C9 Co3 135.4(3) . . ?
C10 C9 Co4 70.0(3) . . ?
C6 C9 Co4 131.7(3) . . ?
Co3 C9 Co4 77.10(14) . . ?
C9 C10 C11 143.5(4) . . ?
C9 C10 Co3 69.6(2) . . ?
C11 C10 Co3 135.1(3) . . ?
C9 C10 Co4 70.5(3) . . ?
C11 C10 Co4 132.6(3) . . ?
Co3 C10 Co4 77.06(16) . . ?
C10 C11 C13 110.5(4) . . ?
C10 C11 C12 111.2(4) . . ?
C13 C11 C12 110.6(4) . . ?
C10 C11 S1 111.4(3) . . ?
C13 C11 S1 110.9(4) . . ?
C12 C11 S1 101.9(4) . . ?
C15 C14 S1 118.7(5) . . ?
C14 C15 O1 109.3(6) . . ?
O1 C16 C17 107.1(5) . . ?
C16 C17 S2 117.4(4) . . ?
C1 C18 C20 111.4(4) . . ?
C1 C18 C19 111.3(4) . . ?
C20 C18 C19 110.3(5) . . ?
C1 C18 S2 111.1(3) . . ?
C20 C18 S2 104.6(4) . . ?
C19 C18 S2 107.9(4) . . ?
C53 C52 C51 120.3(12) . . ?
C52 C53 C53 131.5(17) . 2_737 ?
O101 C101 Co1 176.5(5) . . ?
O102 C102 Co1 177.7(5) . . ?
O103 C103 Co1 179.3(6) . . ?
O201 C201 Co2 179.2(5) . . ?
O202 C202 Co2 178.1(5) . . ?
O203 C203 Co2 179.1(5) . . ?
O301 C301 Co3 178.2(4) . . ?
O302 C302 Co3 177.5(4) . . ?
O303 C303 Co3 178.7(5) . . ?
O401 C401 Co4 178.9(5) . . ?
O402 C402 Co4 179.5(5) . . ?
O403 C403 Co4 179.1(5) . . ?
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
C0 Cl1 1.648(15) . ?
C0 Cl2 1.707(15) . ?
C0 Cl3 1.771(15) . ?
Co1 C101 1.797(6) . ?
Co1 C103 1.818(5) . ?
Co1 C102 1.822(6) . ?
Co1 C2 1.956(4) . ?
Co1 C1 1.972(4) . ?
Co1 Co2 2.4561(9) . ?
S1 C14 1.785(6) . ?
S1 C11 1.838(5) . ?
O1 C16 1.385(7) . ?
O1 C15 1.430(7) . ?
C1 C2 1.347(6) . ?
C1 C18 1.507(7) . ?
C1 Co2 1.984(5) . ?
Co2 C201 1.776(5) . ?
Co2 C203 1.817(5) . ?
Co2 C202 1.821(6) . ?
Co2 C2 1.977(4) . ?
S2 C17 1.805(5) . ?
S2 C18 1.841(5) . ?
C2 C3 1.462(6) . ?
Co3 C303 1.805(6) . ?
Co3 C302 1.815(5) . ?
Co3 C301 1.830(5) . ?
Co3 C9 1.959(4) . ?
Co3 C10 1.968(4) . ?
Co3 Co4 2.4638(8) . ?
C3 C8 1.393(6) . ?
C3 C4 1.398(6) . ?
Co4 C403 1.787(5) . ?
Co4 C401 1.819(5) . ?
Co4 C402 1.821(6) . ?
Co4 C10 1.987(5) . ?
Co4 C9 1.994(4) . ?
C4 C5 1.374(6) . ?
C5 C6 1.396(6) . ?
C6 C7 1.383(6) . ?
C6 C9 1.459(6) . ?
C7 C8 1.379(6) . ?
C9 C10 1.347(6) . ?
C10 C11 1.497(6) . ?
C11 C13 1.525(7) . ?
C11 C12 1.533(7) . ?
C14 C15 1.407(10) . ?
C16 C17 1.494(7) . ?
C18 C20 1.525(7) . ?
C18 C19 1.535(7) . ?
C51 C52 1.543(14) . ?
C52 C53 1.350(14) . ?
C53 C53 1.368(15) 2_737 ?
O101 C101 1.132(6) . ?
O102 C102 1.123(6) . ?
O103 C103 1.133(6) . ?
O201 C201 1.145(6) . ?
C202 O202 1.132(6) . ?
O203 C203 1.136(6) . ?
O301 C301 1.121(5) . ?
O302 C302 1.130(5) . ?
O303 C303 1.131(6) . ?
O401 C401 1.135(5) . ?
O402 C402 1.139(6) . ?
O403 C403 1.138(6) . ?
