#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:58:35 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179164 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/25/4312586.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_4312586
loop_
_publ_author_name
'Andrew P. Meacham'
'Kathryn L. Druce'
'Zöe R. Bell'
'Michael D. Ward'
'Jerome B. Keister'
'A. B. P. Lever'
_publ_contact_author
; 
    Prof. Mike Ward
    School of Chemistry
    University of Bristol
      Cantock's Close
    Bristol
    BS8 1TS
;
_publ_contact_author_email       mike.ward@bristol.ac.uk
_publ_contact_author_fax         '0117 9290509'
_publ_section_title
;
 Mono- and Dinuclear Ruthenium Carbonyl Complexes with Redox-Active
 Dioxolene Ligands: Electrochemical and Spectroscopic Studies and the
 Properties of the Mixed-Valence Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7887
_journal_page_last               7896
_journal_paper_doi               10.1021/ic034579o
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C48 H36 O7 P2 Ru'
_chemical_formula_weight         887.78
_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                103.585(11)
_cell_angle_beta                 90.756(15)
_cell_angle_gamma                116.967(8)
_cell_formula_units_Z            2
_cell_length_a                   12.0966(16)
_cell_length_b                   13.2288(19)
_cell_length_c                   15.691(3)
_cell_measurement_temperature    173(2)
_cell_volume                     2154.4(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Siemens SMART Area Detector'
_diffrn_measurement_method
'ω rotation with narrow frames (0.3 degrees)'
_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  0.0262
_diffrn_reflns_av_sigmaI/netI    0.0459
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            22659
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    0.488
_exptl_absorpt_correction_T_max  0.95
_exptl_absorpt_correction_T_min  0.77
_exptl_absorpt_correction_type   'Empirical, pseudo-azimuthal scan (SADABS)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.369
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             908
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.443
_refine_diff_density_min         -0.301
_refine_diff_density_rms         0.052
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.902
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     524
_refine_ls_number_reflns         9788
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.902
_refine_ls_R_factor_all          0.0392
_refine_ls_R_factor_gt           0.0261
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0279P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0558
_refine_ls_wR_factor_ref         0.0580
_reflns_number_gt                7487
_reflns_number_total             9788
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034579osi20030820_062954_1.cif
_cod_data_source_block           complex1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        2154.4(5)
_cod_database_code               4312586
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
Ru1 Ru 0.416496(13) 0.689969(12) 0.332941(9) 0.01896(4) Uani 1 1 d . . .
P100 P 0.62359(4) 0.71948(4) 0.37205(3) 0.02119(10) Uani 1 1 d . . .
P200 P 0.20798(4) 0.65953(4) 0.28893(3) 0.02128(10) Uani 1 1 d . . .
O12 O 0.46510(11) 0.70511(9) 0.20996(7) 0.0227(3) Uani 1 1 d . . .
O13 O 0.47706(13) 0.69443(11) 0.04000(8) 0.0366(3) Uani 1 1 d . . .
O18 O 0.10018(14) 0.10130(11) 0.13063(9) 0.0419(4) Uani 1 1 d . . .
O19 O 0.23075(12) 0.29051(10) 0.15223(8) 0.0286(3) Uani 1 1 d . . .
O21 O 0.35369(11) 0.51318(9) 0.27088(7) 0.0214(3) Uani 1 1 d . . .
O31 O 0.33583(13) 0.63362(13) 0.50479(9) 0.0437(4) Uani 1 1 d . . .
O41 O 0.50698(13) 0.95182(11) 0.40062(9) 0.0396(3) Uani 1 1 d . . .
C12 C 0.41134(16) 0.59843(15) 0.15134(11) 0.0228(4) Uani 1 1 d . . .
C13 C 0.41127(17) 0.58843(16) 0.05978(12) 0.0282(4) Uani 1 1 d . . .
C14 C 0.34911(19) 0.48001(17) -0.00027(12) 0.0347(5) Uani 1 1 d . . .
H14A H 0.3478 0.4734 -0.0619 0.042 Uiso 1 1 calc R . .
C15 C 0.28711(18) 0.37852(16) 0.02988(12) 0.0316(4) Uani 1 1 d . . .
C16 C 0.2174(2) 0.26338(18) -0.02832(13) 0.0418(5) Uani 1 1 d . . .
H16A H 0.2156 0.2530 -0.0904 0.050 Uiso 1 1 calc R . .
C17 C 0.1536(2) 0.16852(17) 0.00281(13) 0.0406(5) Uani 1 1 d . . .
H17A H 0.1063 0.0931 -0.0378 0.049 Uiso 1 1 calc R . .
C18 C 0.15638(19) 0.17992(16) 0.09611(13) 0.0334(5) Uani 1 1 d . . .
C20 C 0.29103(17) 0.38883(15) 0.12057(12) 0.0258(4) Uani 1 1 d . . .
C21 C 0.35212(16) 0.49831(14) 0.18307(11) 0.0218(4) Uani 1 1 d . . .
C22 C 0.4650(2) 0.6911(2) -0.05128(14) 0.0525(6) Uani 1 1 d . . .
H22A H 0.5175 0.7700 -0.0584 0.079 Uiso 1 1 calc R . .
H22B H 0.3773 0.6650 -0.0726 0.079 Uiso 1 1 calc R . .
H22C H 0.4919 0.6361 -0.0855 0.079 Uiso 1 1 calc R . .
C31 C 0.36827(16) 0.65875(15) 0.44148(12) 0.0260(4) Uani 1 1 d . . .
C41 C 0.47272(16) 0.85211(15) 0.37727(11) 0.0243(4) Uani 1 1 d . . .
C111 C 0.65416(16) 0.59748(15) 0.32179(12) 0.0245(4) Uani 1 1 d . . .
C112 C 0.58048(18) 0.48746(16) 0.33545(13) 0.0311(4) Uani 1 1 d . . .
H11A H 0.5119 0.4754 0.3679 0.037 Uiso 1 1 calc R . .
C113 C 0.6068(2) 0.39516(17) 0.30177(13) 0.0376(5) Uani 1 1 d . . .
H11B H 0.5570 0.3204 0.3120 0.045 Uiso 1 1 calc R . .
C114 C 0.7051(2) 0.41172(18) 0.25356(14) 0.0412(5) Uani 1 1 d . . .
H11C H 0.7244 0.3490 0.2321 0.049 Uiso 1 1 calc R . .
C115 C 0.77536(19) 0.51884(18) 0.23645(13) 0.0388(5) Uani 1 1 d . . .
H11D H 0.8407 0.5290 0.2010 0.047 Uiso 1 1 calc R . .
C116 C 0.75066(18) 0.61199(16) 0.27103(12) 0.0316(4) Uani 1 1 d . . .
H11E H 0.8001 0.6862 0.2599 0.038 Uiso 1 1 calc R . .
C121 C 0.75283(16) 0.84442(14) 0.34612(11) 0.0241(4) Uani 1 1 d . . .
C122 C 0.73711(17) 0.88541(15) 0.27521(12) 0.0276(4) Uani 1 1 d . . .
H12A H 0.6562 0.8538 0.2431 0.033 Uiso 1 1 calc R . .
C123 C 0.84027(18) 0.97282(15) 0.25150(13) 0.0317(4) Uani 1 1 d . . .
H12B H 0.8295 1.0002 0.2028 0.038 Uiso 1 1 calc R . .
C124 C 0.95776(18) 1.02000(15) 0.29791(13) 0.0326(4) Uani 1 1 d . . .
H12C H 1.0276 1.0800 0.2815 0.039 Uiso 1 1 calc R . .
C125 C 0.97380(18) 0.97976(16) 0.36844(13) 0.0345(5) Uani 1 1 d . . .
H12D H 1.0548 1.0121 0.4005 0.041 Uiso 1 1 calc R . .
C126 C 0.87203(17) 0.89234(16) 0.39262(12) 0.0308(4) Uani 1 1 d . . .
H12E H 0.8837 0.8650 0.4411 0.037 Uiso 1 1 calc R . .
C131 C 0.66099(16) 0.75175(15) 0.49191(12) 0.0258(4) Uani 1 1 d . . .
C132 C 0.68921(17) 0.68250(17) 0.53352(13) 0.0311(4) Uani 1 1 d . . .
H13A H 0.6923 0.6146 0.4992 0.037 Uiso 1 1 calc R . .
C133 C 0.71286(18) 0.71292(18) 0.62534(13) 0.0376(5) Uani 1 1 d . . .
H13B H 0.7316 0.6652 0.6535 0.045 Uiso 1 1 calc R . .
C134 C 0.70944(18) 0.81123(18) 0.67583(13) 0.0374(5) Uani 1 1 d . . .
H13C H 0.7254 0.8311 0.7386 0.045 Uiso 1 1 calc R . .
C135 C 0.68280(18) 0.88122(17) 0.63528(13) 0.0360(5) Uani 1 1 d . . .
H13D H 0.6816 0.9499 0.6701 0.043 Uiso 1 1 calc R . .
C136 C 0.65787(17) 0.85127(16) 0.54416(12) 0.0305(4) Uani 1 1 d . . .
H13E H 0.6383 0.8991 0.5167 0.037 Uiso 1 1 calc R . .
C211 C 0.13057(17) 0.68448(15) 0.38519(12) 0.0260(4) Uani 1 1 d . . .
C212 C 0.01728(18) 0.59945(16) 0.39980(13) 0.0328(4) Uani 1 1 d . . .
H21A H -0.0245 0.5241 0.3582 0.039 Uiso 1 1 calc R . .
C213 C -0.0352(2) 0.62426(18) 0.47511(14) 0.0423(5) Uani 1 1 d . . .
H21B H -0.1125 0.5653 0.4847 0.051 Uiso 1 1 calc R . .
C214 C 0.0228(2) 0.73245(18) 0.53562(14) 0.0425(5) Uani 1 1 d . . .
H21C H -0.0137 0.7485 0.5869 0.051 Uiso 1 1 calc R . .
C215 C 0.1350(2) 0.81798(18) 0.52126(14) 0.0455(6) Uani 1 1 d . . .
H21D H 0.1757 0.8934 0.5627 0.055 Uiso 1 1 calc R . .
C216 C 0.18823(19) 0.79406(17) 0.44671(14) 0.0398(5) Uani 1 1 d . . .
H21E H 0.2654 0.8535 0.4375 0.048 Uiso 1 1 calc R . .
C221 C 0.19711(16) 0.75533(14) 0.22601(12) 0.0252(4) Uani 1 1 d . . .
C222 C 0.27818(19) 0.78999(17) 0.16518(14) 0.0389(5) Uani 1 1 d . . .
H22D H 0.3441 0.7695 0.1598 0.047 Uiso 1 1 calc R . .
C223 C 0.2639(2) 0.8547(2) 0.11181(16) 0.0492(6) Uani 1 1 d . . .
H22E H 0.3193 0.8773 0.0695 0.059 Uiso 1 1 calc R . .
C224 C 0.1693(2) 0.88611(17) 0.11999(14) 0.0447(6) Uani 1 1 d . . .
H22F H 0.1599 0.9308 0.0837 0.054 Uiso 1 1 calc R . .
C225 C 0.0895(2) 0.85271(19) 0.18030(14) 0.0451(6) Uani 1 1 d . . .
H22G H 0.0243 0.8741 0.1858 0.054 Uiso 1 1 calc R . .
C226 C 0.10251(19) 0.78795(17) 0.23374(13) 0.0368(5) Uani 1 1 d . . .
H22H H 0.0466 0.7657 0.2758 0.044 Uiso 1 1 calc R . .
C231 C 0.10121(16) 0.51173(15) 0.22178(12) 0.0252(4) Uani 1 1 d . . .
C232 C 0.07261(17) 0.41624(15) 0.25659(13) 0.0310(4) Uani 1 1 d . . .
H23A H 0.1097 0.4290 0.3144 0.037 Uiso 1 1 calc R . .
C233 C -0.00962(19) 0.30298(17) 0.20714(15) 0.0396(5) Uani 1 1 d . . .
H23B H -0.0311 0.2385 0.2318 0.048 Uiso 1 1 calc R . .
C234 C -0.0602(2) 0.28385(18) 0.12221(15) 0.0458(6) Uani 1 1 d . . .
H23C H -0.1160 0.2060 0.0883 0.055 Uiso 1 1 calc R . .
C235 C -0.0306(2) 0.37645(19) 0.08630(14) 0.0482(6) Uani 1 1 d . . .
H23D H -0.0648 0.3624 0.0273 0.058 Uiso 1 1 calc R . .
C236 C 0.04939(18) 0.49104(17) 0.13605(13) 0.0355(5) Uani 1 1 d . . .
H23E H 0.0686 0.5551 0.1113 0.043 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 '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
C41 Ru1 C31 93.31(7) . . ?
C41 Ru1 O12 92.90(6) . . ?
C31 Ru1 O12 173.72(6) . . ?
C41 Ru1 O21 174.04(6) . . ?
C31 Ru1 O21 92.34(6) . . ?
O12 Ru1 O21 81.48(4) . . ?
C41 Ru1 P100 89.88(6) . . ?
C31 Ru1 P100 91.94(6) . . ?
O12 Ru1 P100 87.18(4) . . ?
O21 Ru1 P100 91.82(4) . . ?
C41 Ru1 P200 90.49(6) . . ?
C31 Ru1 P200 89.64(6) . . ?
O12 Ru1 P200 91.19(4) . . ?
O21 Ru1 P200 87.66(4) . . ?
P100 Ru1 P200 178.347(18) . . ?
C111 P100 C121 102.72(8) . . ?
C111 P100 C131 106.70(8) . . ?
C121 P100 C131 102.45(8) . . ?
C111 P100 Ru1 115.89(6) . . ?
C121 P100 Ru1 116.54(6) . . ?
C131 P100 Ru1 111.20(6) . . ?
C231 P200 C221 103.95(8) . . ?
C231 P200 C211 105.26(8) . . ?
C221 P200 C211 103.40(8) . . ?
C231 P200 Ru1 114.56(6) . . ?
C221 P200 Ru1 116.90(6) . . ?
C211 P200 Ru1 111.51(6) . . ?
C12 O12 Ru1 109.93(10) . . ?
C13 O13 C22 115.94(15) . . ?
C18 O19 C20 121.72(15) . . ?
C21 O21 Ru1 109.13(9) . . ?
O12 C12 C21 118.59(15) . . ?
O12 C12 C13 120.15(15) . . ?
C21 C12 C13 121.22(16) . . ?
C14 C13 O13 126.00(17) . . ?
C14 C13 C12 120.12(17) . . ?
O13 C13 C12 113.88(15) . . ?
C13 C14 C15 119.69(17) . . ?
C20 C15 C14 119.82(17) . . ?
C20 C15 C16 117.18(18) . . ?
C14 C15 C16 122.99(18) . . ?
C17 C16 C15 121.47(19) . . ?
C16 C17 C18 121.07(18) . . ?
O18 C18 O19 116.64(18) . . ?
O18 C18 C17 126.20(18) . . ?
O19 C18 C17 117.16(17) . . ?
O19 C20 C15 121.12(15) . . ?
O19 C20 C21 117.23(16) . . ?
C15 C20 C21 121.62(16) . . ?
O21 C21 C20 123.82(15) . . ?
O21 C21 C12 118.66(14) . . ?
C20 C21 C12 117.48(16) . . ?
O31 C31 Ru1 176.34(16) . . ?
O41 C41 Ru1 176.95(15) . . ?
C116 C111 C112 119.04(17) . . ?
C116 C111 P100 121.54(13) . . ?
C112 C111 P100 119.42(14) . . ?
C113 C112 C111 120.19(19) . . ?
C114 C113 C112 120.11(19) . . ?
C115 C114 C113 120.20(18) . . ?
C114 C115 C116 119.93(19) . . ?
C115 C116 C111 120.44(18) . . ?
C126 C121 C122 119.21(16) . . ?
C126 C121 P100 119.33(14) . . ?
C122 C121 P100 121.16(13) . . ?
C123 C122 C121 119.79(17) . . ?
C124 C123 C122 120.69(18) . . ?
C123 C124 C125 119.73(17) . . ?
C124 C125 C126 120.27(18) . . ?
C125 C126 C121 120.31(18) . . ?
C132 C131 C136 118.66(17) . . ?
C132 C131 P100 124.39(14) . . ?
C136 C131 P100 116.93(14) . . ?
C133 C132 C131 119.91(18) . . ?
C134 C133 C132 120.71(18) . . ?
C133 C134 C135 119.90(18) . . ?
C136 C135 C134 119.94(19) . . ?
C135 C136 C131 120.87(18) . . ?
C212 C211 C216 118.38(17) . . ?
C212 C211 P200 123.35(14) . . ?
C216 C211 P200 118.26(14) . . ?
C211 C212 C213 120.15(18) . . ?
C214 C213 C212 120.97(19) . . ?
C213 C214 C215 119.30(19) . . ?
C214 C215 C216 120.18(19) . . ?
C215 C216 C211 121.01(18) . . ?
C222 C221 C226 118.83(17) . . ?
C222 C221 P200 119.99(14) . . ?
C226 C221 P200 121.04(15) . . ?
C221 C222 C223 120.3(2) . . ?
C224 C223 C222 120.2(2) . . ?
C225 C224 C223 119.6(2) . . ?
C224 C225 C226 120.7(2) . . ?
C225 C226 C221 120.3(2) . . ?
C236 C231 C232 119.03(16) . . ?
C236 C231 P200 121.77(14) . . ?
C232 C231 P200 119.18(14) . . ?
C233 C232 C231 120.26(19) . . ?
C234 C233 C232 120.00(19) . . ?
C235 C234 C233 120.40(19) . . ?
C234 C235 C236 120.2(2) . . ?
C231 C236 C235 120.06(19) . . ?
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
Ru1 C41 1.8737(18) . ?
Ru1 C31 1.8840(19) . ?
Ru1 O12 2.0528(12) . ?
Ru1 O21 2.0722(11) . ?
Ru1 P100 2.4009(6) . ?
Ru1 P200 2.4297(6) . ?
P100 C111 1.8205(18) . ?
P100 C121 1.8249(18) . ?
P100 C131 1.8301(18) . ?
P200 C231 1.8186(18) . ?
P200 C221 1.8258(18) . ?
P200 C211 1.8304(18) . ?
O12 C12 1.343(2) . ?
O13 C13 1.376(2) . ?
O13 C22 1.426(2) . ?
O18 C18 1.213(2) . ?
O19 C18 1.380(2) . ?
O19 C20 1.387(2) . ?
O21 C21 1.3438(19) . ?
O31 C31 1.139(2) . ?
O41 C41 1.148(2) . ?
C12 C21 1.405(2) . ?
C12 C13 1.411(2) . ?
C13 C14 1.371(3) . ?
C14 C15 1.408(3) . ?
C15 C20 1.395(2) . ?
C15 C16 1.424(3) . ?
C16 C17 1.352(3) . ?
C17 C18 1.434(3) . ?
C20 C21 1.396(2) . ?
C111 C116 1.388(2) . ?
C111 C112 1.391(2) . ?
C112 C113 1.388(3) . ?
C113 C114 1.378(3) . ?
C114 C115 1.377(3) . ?
C115 C116 1.388(3) . ?
C121 C126 1.393(2) . ?
C121 C122 1.393(2) . ?
C122 C123 1.392(2) . ?
C123 C124 1.376(3) . ?
C124 C125 1.382(3) . ?
C125 C126 1.387(3) . ?
C131 C132 1.393(2) . ?
C131 C136 1.395(3) . ?
C132 C133 1.390(3) . ?
C133 C134 1.373(3) . ?
C134 C135 1.381(3) . ?
C135 C136 1.381(3) . ?
C211 C212 1.388(2) . ?
C211 C216 1.388(3) . ?
C212 C213 1.391(3) . ?
C213 C214 1.369(3) . ?
C214 C215 1.381(3) . ?
C215 C216 1.383(3) . ?
C221 C222 1.380(3) . ?
C221 C226 1.392(3) . ?
C222 C223 1.389(3) . ?
C223 C224 1.382(3) . ?
C224 C225 1.362(3) . ?
C225 C226 1.385(3) . ?
C231 C236 1.388(3) . ?
C231 C232 1.395(2) . ?
C232 C233 1.385(3) . ?
C233 C234 1.376(3) . ?
C234 C235 1.370(3) . ?
C235 C236 1.392(3) . ?
