#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:12:39 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179681 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/03/7000314.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_7000314
loop_
_publ_author_name
'Delferro, Massimiliano'
'Pattacini, Roberto'
'Cauzzi, Daniele'
'Graiff, Claudia'
'Terenghi, Mattia'
'Predieri, Giovanni'
'Tiripicchio, Antonio'
_publ_section_title
;
 Reactivity of the zwitterionic ligand EtNHC(S)Ph2PNPPh2C(S)NEt
 towards [Ru3(CO)12]. Sulfur transfer and ligand fragmentation leading
 to the methideylamide [-N(Et)-CH(R)-] μ3-bridging moiety
;
_journal_issue                   3
_journal_name_full               'Dalton Transactions'
_journal_page_first              544
_journal_page_last               549
_journal_paper_doi               10.1039/b812050a
_journal_year                    2009
_chemical_formula_sum            'C35 H30 N2 O8 P2 Ru3 S'
_chemical_formula_weight         1003.82
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_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                 110.97(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.304(9)
_cell_length_b                   9.910(5)
_cell_length_c                   20.779(9)
_cell_measurement_reflns_used    999
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.42
_cell_measurement_theta_min      2.03
_cell_volume                     3904(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.855
_diffrn_measured_fraction_theta_max 0.855
_diffrn_measurement_device_type  'BRUKER AXS SMART 1000'
_diffrn_measurement_method       'omega scan'
_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  0.0687
_diffrn_reflns_av_sigmaI/netI    0.1123
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            22882
_diffrn_reflns_theta_full        28.42
_diffrn_reflns_theta_max         28.42
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    1.331
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.789
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS,Sheldrick, ver 2.03'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.708
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1984
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.516
_refine_diff_density_min         -0.949
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.159
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     466
_refine_ls_number_reflns         8397
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.159
_refine_ls_R_factor_all          0.0757
_refine_ls_R_factor_gt           0.0433
_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)+(0.0010P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0778
_refine_ls_wR_factor_ref         0.0912
_reflns_number_gt                5080
_reflns_number_total             8397
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b812050a.txt
_cod_data_source_block           ruzw1h
_cod_original_sg_symbol_H-M      P21/a
_cod_database_code               7000314
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x-1/2, -y-1/2, 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 0.04412(2) 0.97583(4) 0.80178(2) 0.04004(11) Uani 1 1 d . . .
Ru2 Ru -0.00872(2) 0.95866(4) 0.65724(2) 0.04146(11) Uani 1 1 d . . .
Ru3 Ru 0.11474(2) 1.10408(4) 0.72421(3) 0.04765(13) Uani 1 1 d . . .
S1 S 0.09928(7) 0.86885(15) 0.73268(7) 0.0459(3) Uani 1 1 d . . .
P1 P -0.00698(7) 0.77274(14) 0.81605(7) 0.0396(3) Uani 1 1 d . . .
P2 P -0.07882(7) 0.78335(14) 0.66515(7) 0.0405(3) Uani 1 1 d . . .
O1 O 0.1527(3) 1.0969(6) 0.5956(3) 0.105(2) Uani 1 1 d . . .
O2 O 0.1101(3) 1.4072(5) 0.7259(3) 0.0986(18) Uani 1 1 d . . .
O3 O -0.1351(3) 1.1162(5) 0.5656(3) 0.0918(17) Uani 1 1 d . . .
O4 O 0.0215(3) 0.8520(5) 0.5321(2) 0.0833(15) Uani 1 1 d . . .
O5 O 0.1756(3) 0.9776(6) 0.9318(2) 0.0907(16) Uani 1 1 d . . .
O6 O -0.0428(3) 1.1476(5) 0.8629(3) 0.0829(15) Uani 1 1 d . . .
O7 O -0.0262(2) 1.2320(4) 0.7195(2) 0.0650(11) Uani 1 1 d . . .
N1 N -0.0478(3) 0.6972(5) 0.7404(2) 0.0440(11) Uani 1 1 d . . .
N2 N 0.2658(3) 1.1105(6) 0.8392(3) 0.0792(18) Uani 1 1 d . . .
C1 C 0.1387(3) 1.0990(7) 0.6436(4) 0.0696(19) Uani 1 1 d . . .
C2 C 0.1130(4) 1.2939(7) 0.7254(4) 0.077(2) Uani 1 1 d . . .
C3 C -0.0876(3) 1.0591(6) 0.6010(3) 0.0556(15) Uani 1 1 d . . .
C4 C 0.0101(4) 0.8939(7) 0.5788(3) 0.0641(18) Uani 1 1 d . . .
C5 C 0.1248(3) 0.9762(6) 0.8832(3) 0.0542(15) Uani 1 1 d . . .
C6 C -0.0096(3) 1.0828(6) 0.8402(3) 0.0544(15) Uani 1 1 d . . .
C7 C 0.0085(3) 1.1314(6) 0.7229(3) 0.0445(13) Uani 1 1 d . . .
C8 C 0.2119(3) 1.1033(6) 0.7977(4) 0.0611(17) Uani 1 1 d . . .
C9 C 0.3339(4) 1.1220(9) 0.8934(4) 0.095(2) Uani 1 1 d . . .
H9A H 0.3697 1.1323 0.8730 0.113 Uiso 1 1 calc R . .
H9B H 0.3438 1.0395 0.9203 0.113 Uiso 1 1 calc R . .
C10 C 0.3377(5) 1.2375(10) 0.9394(5) 0.123(3) Uani 1 1 d . . .
H10A H 0.3838 1.2413 0.9744 0.185 Uiso 1 1 calc R . .
H10B H 0.3030 1.2267 0.9605 0.185 Uiso 1 1 calc R . .
H10C H 0.3287 1.3195 0.9131 0.185 Uiso 1 1 calc R . .
C11 C 0.0491(3) 0.6333(6) 0.8650(3) 0.0484(13) Uani 1 1 d . . .
C12 C 0.0264(4) 0.5447(6) 0.9022(3) 0.0674(19) Uani 1 1 d . . .
H12 H -0.0165 0.5597 0.9077 0.081 Uiso 1 1 calc R . .
C13 C 0.0657(5) 0.4331(8) 0.9320(4) 0.098(3) Uani 1 1 d . . .
H13 H 0.0477 0.3700 0.9545 0.118 Uiso 1 1 calc R . .
C14 C 0.1315(4) 0.4146(7) 0.9285(4) 0.083(2) Uani 1 1 d . . .
H14 H 0.1593 0.3419 0.9506 0.100 Uiso 1 1 calc R . .
C15 C 0.1562(4) 0.5067(8) 0.8911(4) 0.090(3) Uani 1 1 d . . .
H15 H 0.1996 0.4936 0.8865 0.108 Uiso 1 1 calc R . .
C16 C 0.1154(4) 0.6166(7) 0.8613(4) 0.081(2) Uani 1 1 d . . .
H16 H 0.1325 0.6804 0.8385 0.097 Uiso 1 1 calc R . .
C17 C -0.0728(3) 0.7849(5) 0.8582(3) 0.0431(12) Uani 1 1 d . . .
C18 C -0.0517(3) 0.8463(6) 0.9221(3) 0.0592(16) Uani 1 1 d . . .
H18 H -0.0055 0.8763 0.9429 0.071 Uiso 1 1 calc R . .
C19 C -0.0993(4) 0.8632(6) 0.9551(3) 0.0682(19) Uani 1 1 d . . .
H19 H -0.0846 0.9048 0.9980 0.082 Uiso 1 1 calc R . .
C20 C -0.1669(4) 0.8204(8) 0.9263(4) 0.078(2) Uani 1 1 d . . .
H20 H -0.1983 0.8333 0.9492 0.094 Uiso 1 1 calc R . .
C21 C -0.1894(4) 0.7570(7) 0.8622(4) 0.075(2) Uani 1 1 d . . .
H21 H -0.2355 0.7258 0.8422 0.091 Uiso 1 1 calc R . .
C22 C -0.1411(3) 0.7411(6) 0.8286(3) 0.0558(15) Uani 1 1 d . . .
H22 H -0.1557 0.7003 0.7854 0.067 Uiso 1 1 calc R . .
C23 C -0.1699(3) 0.8227(5) 0.6573(3) 0.0425(12) Uani 1 1 d . . .
C24 C -0.1794(3) 0.9429(6) 0.6874(3) 0.0560(15) Uani 1 1 d . . .
H24 H -0.1430 1.0057 0.7024 0.067 Uiso 1 1 calc R . .
C25 C -0.2437(3) 0.9687(7) 0.6951(3) 0.0648(17) Uani 1 1 d . . .
H25 H -0.2500 1.0490 0.7152 0.078 Uiso 1 1 calc R . .
C26 C -0.2965(4) 0.8790(7) 0.6737(3) 0.0669(18) Uani 1 1 d . . .
H26 H -0.3386 0.8970 0.6802 0.080 Uiso 1 1 calc R . .
C27 C -0.2892(3) 0.7588(7) 0.6416(4) 0.0686(18) Uani 1 1 d . . .
H27 H -0.3263 0.6979 0.6253 0.082 Uiso 1 1 calc R . .
C28 C -0.2250(3) 0.7336(6) 0.6352(3) 0.0643(17) Uani 1 1 d . . .
H28 H -0.2189 0.6530 0.6151 0.077 Uiso 1 1 calc R . .
C29 C -0.0865(3) 0.6489(6) 0.6029(3) 0.0485(13) Uani 1 1 d . . .
C30 C -0.1337(4) 0.6670(7) 0.5363(3) 0.081(2) Uani 1 1 d . . .
H30 H -0.1627 0.7427 0.5252 0.097 Uiso 1 1 calc R . .
C31 C -0.1375(5) 0.5710(9) 0.4861(4) 0.113(4) Uani 1 1 d . . .
H31 H -0.1690 0.5821 0.4411 0.135 Uiso 1 1 calc R . .
C32 C -0.0937(5) 0.4583(8) 0.5037(4) 0.094(3) Uani 1 1 d . . .
H32 H -0.0946 0.3945 0.4706 0.113 Uiso 1 1 calc R . .
C33 C -0.0496(4) 0.4429(7) 0.5701(4) 0.081(2) Uani 1 1 d . . .
H33 H -0.0218 0.3659 0.5824 0.097 Uiso 1 1 calc R . .
C34 C -0.0452(3) 0.5367(6) 0.6189(3) 0.0605(16) Uani 1 1 d . . .
H34 H -0.0137 0.5243 0.6638 0.073 Uiso 1 1 calc R . .
C1S C -0.1667(6) 1.3848(11) 0.6998(7) 0.173(6) Uani 1 1 d . . .
H1S1 H -0.2043 1.4479 0.6938 0.259 Uiso 1 1 calc R . .
H1S2 H -0.1795 1.2986 0.7129 0.259 Uiso 1 1 calc R . .
H1S3 H -0.1583 1.3758 0.6574 0.259 Uiso 1 1 calc R . .
O1S O -0.1084(3) 1.4291(5) 0.7489(3) 0.0894(17) Uani 1 1 d . . .
H1S H -0.0737 1.3966 0.7432 0.134 Uiso 1 1 calc R . .
H1N H -0.060(3) 0.626(5) 0.736(3) 0.041(17) Uiso 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ru Ru -1.2594 0.8363 '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'
P P 0.1023 0.0942 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
C6 Ru1 C5 93.8(3) . . ?
C6 Ru1 C7 80.5(2) . . ?
C5 Ru1 C7 128.4(2) . . ?
C6 Ru1 P1 94.59(18) . . ?
C5 Ru1 P1 99.82(18) . . ?
C7 Ru1 P1 131.61(15) . . ?
C6 Ru1 S1 168.00(19) . . ?
C5 Ru1 S1 95.62(18) . . ?
C7 Ru1 S1 87.84(15) . . ?
P1 Ru1 S1 91.10(6) . . ?
C6 Ru1 Ru2 115.37(19) . . ?
C5 Ru1 Ru2 146.67(17) . . ?
C7 Ru1 Ru2 48.78(15) . . ?
P1 Ru1 Ru2 93.82(4) . . ?
S1 Ru1 Ru2 53.59(5) . . ?
C6 Ru1 Ru3 118.55(17) . . ?
C5 Ru1 Ru3 93.23(17) . . ?
C7 Ru1 Ru3 49.40(13) . . ?
P1 Ru1 Ru3 143.49(4) . . ?
S1 Ru1 Ru3 53.54(5) . . ?
Ru2 Ru1 Ru3 59.55(3) . . ?
C3 Ru2 C4 91.9(3) . . ?
C3 Ru2 C7 83.2(2) . . ?
C4 Ru2 C7 140.8(2) . . ?
C3 Ru2 P2 91.91(19) . . ?
C4 Ru2 P2 97.2(2) . . ?
C7 Ru2 P2 121.70(14) . . ?
C3 Ru2 S1 170.3(2) . . ?
C4 Ru2 S1 91.1(2) . . ?
C7 Ru2 S1 88.70(16) . . ?
P2 Ru2 S1 96.87(6) . . ?
C3 Ru2 Ru3 116.5(2) . . ?
C4 Ru2 Ru3 100.4(2) . . ?
C7 Ru2 Ru3 49.95(14) . . ?
P2 Ru2 Ru3 145.72(4) . . ?
S1 Ru2 Ru3 53.86(5) . . ?
C3 Ru2 Ru1 122.92(19) . . ?
C4 Ru2 Ru1 144.6(2) . . ?
C7 Ru2 Ru1 49.96(15) . . ?
P2 Ru2 Ru1 88.77(5) . . ?
S1 Ru2 Ru1 53.54(5) . . ?
Ru3 Ru2 Ru1 60.33(4) . . ?
C2 Ru3 C1 92.9(3) . . ?
C2 Ru3 C8 90.6(3) . . ?
C1 Ru3 C8 100.2(3) . . ?
C2 Ru3 C7 81.5(3) . . ?
C1 Ru3 C7 124.0(3) . . ?
C8 Ru3 C7 135.2(2) . . ?
C2 Ru3 S1 168.5(2) . . ?
C1 Ru3 S1 97.0(2) . . ?
C8 Ru3 S1 93.44(18) . . ?
C7 Ru3 S1 88.04(15) . . ?
C2 Ru3 Ru2 120.3(2) . . ?
C1 Ru3 Ru2 90.8(2) . . ?
C8 Ru3 Ru2 146.68(18) . . ?
C7 Ru3 Ru2 49.12(15) . . ?
S1 Ru3 Ru2 53.81(4) . . ?
C2 Ru3 Ru1 115.3(2) . . ?
C1 Ru3 Ru1 146.5(2) . . ?
C8 Ru3 Ru1 97.20(18) . . ?
C7 Ru3 Ru1 49.75(14) . . ?
S1 Ru3 Ru1 53.45(4) . . ?
Ru2 Ru3 Ru1 60.13(4) . . ?
Ru1 S1 Ru3 73.02(5) . . ?
Ru1 S1 Ru2 72.87(5) . . ?
Ru3 S1 Ru2 72.33(5) . . ?
N1 P1 C17 106.1(3) . . ?
N1 P1 C11 100.5(3) . . ?
C17 P1 C11 101.3(2) . . ?
N1 P1 Ru1 111.13(18) . . ?
C17 P1 Ru1 115.78(17) . . ?
C11 P1 Ru1 120.05(19) . . ?
N1 P2 C29 101.3(3) . . ?
N1 P2 C23 102.7(2) . . ?
C29 P2 C23 105.3(2) . . ?
N1 P2 Ru2 114.43(19) . . ?
C29 P2 Ru2 113.62(18) . . ?
C23 P2 Ru2 117.67(17) . . ?
P1 N1 P2 122.6(3) . . ?
C8 N2 C9 178.3(8) . . ?
O1 C1 Ru3 179.5(7) . . ?
O2 C2 Ru3 178.1(6) . . ?
O3 C3 Ru2 177.7(7) . . ?
O4 C4 Ru2 178.4(6) . . ?
O5 C5 Ru1 177.7(5) . . ?
O6 C6 Ru1 179.2(6) . . ?
O7 C7 Ru2 131.7(4) . . ?
O7 C7 Ru3 131.4(4) . . ?
Ru2 C7 Ru3 80.93(19) . . ?
O7 C7 Ru1 131.1(4) . . ?
Ru2 C7 Ru1 81.3(2) . . ?
Ru3 C7 Ru1 80.85(19) . . ?
N2 C8 Ru3 176.1(6) . . ?
N2 C9 C10 112.4(7) . . ?
C12 C11 C16 119.3(6) . . ?
C12 C11 P1 122.0(5) . . ?
C16 C11 P1 118.7(4) . . ?
C11 C12 C13 121.1(7) . . ?
C12 C13 C14 120.1(7) . . ?
C13 C14 C15 119.3(6) . . ?
C16 C15 C14 119.2(7) . . ?
C15 C16 C11 120.8(6) . . ?
C22 C17 C18 119.1(5) . . ?
C22 C17 P1 123.6(4) . . ?
C18 C17 P1 117.2(4) . . ?
C19 C18 C17 119.9(6) . . ?
C20 C19 C18 121.5(7) . . ?
C19 C20 C21 119.8(6) . . ?
C20 C21 C22 118.6(7) . . ?
C17 C22 C21 121.1(6) . . ?
C28 C23 C24 118.4(5) . . ?
C28 C23 P2 124.6(4) . . ?
C24 C23 P2 115.9(4) . . ?
C25 C24 C23 119.6(6) . . ?
C26 C25 C24 120.7(6) . . ?
C25 C26 C27 121.0(6) . . ?
C28 C27 C26 117.7(6) . . ?
C23 C28 C27 122.5(6) . . ?
C34 C29 C30 119.8(6) . . ?
C34 C29 P2 122.3(5) . . ?
C30 C29 P2 117.8(5) . . ?
C29 C30 C31 119.5(7) . . ?
C30 C31 C32 119.4(7) . . ?
C33 C32 C31 119.0(6) . . ?
C34 C33 C32 121.8(7) . . ?
C33 C34 C29 120.4(6) . . ?
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 C6 1.891(6) . ?
Ru1 C5 1.887(7) . ?
Ru1 C7 2.176(6) . ?
Ru1 P1 2.3314(17) . ?
Ru1 S1 2.3644(16) . ?
Ru1 Ru2 2.8095(16) . ?
Ru1 Ru3 2.8150(12) . ?
Ru2 C3 1.893(6) . ?
Ru2 C4 1.914(7) . ?
Ru2 C7 2.138(6) . ?
Ru2 P2 2.2888(16) . ?
Ru2 S1 2.366(2) . ?
Ru2 Ru3 2.7929(15) . ?
Ru3 C2 1.881(7) . ?
Ru3 C1 1.906(7) . ?
Ru3 C8 2.017(7) . ?
Ru3 C7 2.165(5) . ?
Ru3 S1 2.3671(19) . ?
P1 N1 1.670(5) . ?
P1 C17 1.846(5) . ?
P1 C11 1.847(6) . ?
P2 N1 1.692(5) . ?
P2 C29 1.825(6) . ?
P2 C23 1.840(5) . ?
O1 C1 1.130(7) . ?
O2 C2 1.125(7) . ?
O3 C3 1.133(7) . ?
O4 C4 1.152(7) . ?
O5 C5 1.157(7) . ?
O6 C6 1.147(7) . ?
O7 C7 1.209(6) . ?
N2 C8 1.127(8) . ?
N2 C9 1.442(9) . ?
C9 C10 1.475(10) . ?
C11 C12 1.356(7) . ?
C11 C16 1.383(8) . ?
C12 C13 1.373(9) . ?
C13 C14 1.376(10) . ?
C14 C15 1.402(9) . ?
C15 C16 1.373(9) . ?
C17 C22 1.372(8) . ?
C17 C18 1.382(7) . ?
C18 C19 1.380(8) . ?
C19 C20 1.355(10) . ?
C20 C21 1.393(10) . ?
C21 C22 1.402(8) . ?
C23 C28 1.367(8) . ?
C23 C24 1.391(7) . ?
C24 C25 1.395(7) . ?
C25 C26 1.340(9) . ?
C26 C27 1.398(9) . ?
C27 C28 1.380(8) . ?
C29 C34 1.361(8) . ?
C29 C30 1.383(8) . ?
C30 C31 1.394(9) . ?
C31 C32 1.393(11) . ?
C32 C33 1.358(9) . ?
C33 C34 1.354(8) . ?
C1S O1S 1.331(12) . ?
