#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:11:09 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179443 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/40/4334080.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_4334080
loop_
_publ_author_name
'Weiting Yang'
'Tao Tian'
'Hong-Yue Wu'
'Qing-Jiang Pan'
'Song Dang'
'Zhong-Ming Sun'
_publ_section_title
;
 Syntheses and Structures of a Series of Uranyl Phosphonates and
 Sulfonates: An Insight into Their Correlations and Discrepancies
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2736
_journal_page_last               2743
_journal_paper_doi               10.1021/ic302847g
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C32 H28 N8 O14 S U2'
_chemical_formula_weight         1256.74
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 115.9900(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.6408(9)
_cell_length_b                   20.8488(13)
_cell_length_c                   13.9140(8)
_cell_measurement_temperature    273(2)
_cell_volume                     3556.9(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0619
_diffrn_reflns_av_sigmaI/netI    0.0765
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            19422
_diffrn_reflns_theta_full        26.09
_diffrn_reflns_theta_max         26.09
_diffrn_reflns_theta_min         1.74
_exptl_absorpt_coefficient_mu    9.236
_exptl_absorpt_correction_T_max  0.65
_exptl_absorpt_correction_T_min  0.57
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.347
_exptl_crystal_description       needle
_exptl_crystal_F_000             2352
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.075
_exptl_crystal_size_min          0.075
_refine_diff_density_max         0.872
_refine_diff_density_min         -1.210
_refine_diff_density_rms         0.203
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     515
_refine_ls_number_reflns         7016
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0744
_refine_ls_R_factor_gt           0.0400
_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)+(0.0168P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0637
_refine_ls_wR_factor_ref         0.0738
_reflns_number_gt                4757
_reflns_number_total             7016
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic302847g_si_002_5.cif
_cod_data_source_block           USP-2
_cod_database_code               4334080
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-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
U1 U 0.89759(2) 0.007355(16) 0.05315(2) 0.01951(9) Uani 1 1 d .
U2 U 1.17589(2) -0.014368(16) 0.27171(2) 0.02312(9) Uani 1 1 d .
S1 S 0.69878(17) 0.07930(11) 0.13368(16) 0.0254(5) Uani 1 1 d .
O1 O 0.8940(4) -0.0769(3) 0.0736(4) 0.0304(14) Uani 1 1 d .
O2 O 0.8941(4) 0.0912(3) 0.0371(4) 0.0278(14) Uani 1 1 d .
O3 O 1.1462(4) -0.0981(3) 0.2662(4) 0.0345(15) Uani 1 1 d .
O4 O 1.2182(5) 0.0672(3) 0.2886(4) 0.0409(16) Uani 1 1 d .
O5 O 1.0812(4) 0.0018(3) 0.0994(4) 0.0235(13) Uani 1 1 d .
O6 O 1.0018(4) 0.0143(3) 0.2431(4) 0.0345(16) Uani 1 1 d .
O7 O 0.7683(4) 0.0261(3) 0.1331(4) 0.0297(14) Uani 1 1 d .
O8 O 0.6155(4) 0.0958(3) 0.0286(4) 0.0379(16) Uani 1 1 d .
O9 O 0.7604(5) 0.1340(3) 0.1945(5) 0.0435(17) Uani 1 1 d .
O10 O 0.8064(4) 0.0130(3) 0.5392(4) 0.0382(16) Uani 1 1 d .
O11 O 0.6542(4) 0.0296(3) 0.5553(4) 0.0361(16) Uani 1 1 d .
O12 O 0.3161(4) -0.0390(3) 0.2230(4) 0.0260(13) Uani 1 1 d .
O13 O 0.2936(4) 0.0154(3) 0.0769(4) 0.0260(13) Uani 1 1 d .
N1 N 0.4724(6) 0.2209(3) 0.4148(6) 0.0361(19) Uani 1 1 d .
N2 N 0.5904(7) 0.2580(4) 0.3620(7) 0.049(2) Uani 1 1 d .
N3 N 0.1280(7) 0.1968(4) 0.5311(6) 0.050(2) Uani 1 1 d .
N4 N -0.0066(8) 0.2195(5) 0.5717(8) 0.070(3) Uani 1 1 d .
N5 N 0.6109(5) 0.8093(3) 0.2070(5) 0.0283(17) Uani 1 1 d .
N6 N 0.7545(7) 0.8120(4) 0.1769(7) 0.050(2) Uani 1 1 d .
N7 N 0.2949(6) 0.7258(3) 0.3385(5) 0.0282(17) Uani 1 1 d .
N8 N 0.1600(6) 0.7283(4) 0.3820(6) 0.045(2) Uani 1 1 d .
C1 C 0.6308(6) 0.0491(4) 0.2081(6) 0.0192(18) Uani 1 1 d .
C2 C 0.5212(6) 0.0338(4) 0.1591(6) 0.0201(18) Uani 1 1 d .
H2A H 0.4820 0.0378 0.0854 0.024 Uiso 1 1 calc R
C3 C 0.4695(6) 0.0124(4) 0.2194(5) 0.0182(17) Uani 1 1 d .
C4 C 0.5297(6) 0.0074(4) 0.3305(6) 0.0236(19) Uani 1 1 d .
H4A H 0.4956 -0.0058 0.3722 0.028 Uiso 1 1 calc R
C5 C 0.6399(6) 0.0221(4) 0.3785(6) 0.0196(18) Uani 1 1 d .
C6 C 0.6913(6) 0.0417(4) 0.3158(6) 0.027(2) Uani 1 1 d .
H6A H 0.7660 0.0496 0.3471 0.032 Uiso 1 1 calc R
C7 C 0.3519(6) -0.0049(4) 0.1690(6) 0.025(2) Uani 1 1 d .
C8 C 0.7048(6) 0.0201(4) 0.4994(6) 0.026(2) Uani 1 1 d .
C9 C 0.3865(6) 0.2160(4) 0.4483(7) 0.029(2) Uani 1 1 d .
C10 C 0.3563(8) 0.1587(5) 0.4683(9) 0.062(3) Uani 1 1 d .
H10A H 0.3930 0.1223 0.4631 0.075 Uiso 1 1 calc R
C11 C 0.2713(8) 0.1524(5) 0.4965(9) 0.060(3) Uani 1 1 d .
H11A H 0.2513 0.1120 0.5100 0.072 Uiso 1 1 calc R
C12 C 0.2179(7) 0.2046(5) 0.5043(7) 0.033(2) Uani 1 1 d .
C13 C 0.2473(9) 0.2642(5) 0.4847(8) 0.055(3) Uani 1 1 d .
H13A H 0.2104 0.3006 0.4898 0.066 Uiso 1 1 calc R
C14 C 0.3331(9) 0.2694(5) 0.4569(9) 0.056(3) Uani 1 1 d .
H14A H 0.3543 0.3096 0.4441 0.067 Uiso 1 1 calc R
C15 C 0.5265(11) 0.1690(6) 0.4002(12) 0.093(5) Uani 1 1 d .
H15A H 0.5162 0.1258 0.4101 0.112 Uiso 1 1 calc R
C16 C 0.5987(11) 0.1952(6) 0.3677(11) 0.090(5) Uani 1 1 d .
H16A H 0.6476 0.1716 0.3517 0.108 Uiso 1 1 calc R
C17 C 0.5147(7) 0.2732(5) 0.3919(7) 0.041(2) Uani 1 1 d .
H17A H 0.4932 0.3150 0.3966 0.049 Uiso 1 1 calc R
C18 C 0.0711(8) 0.2431(5) 0.5502(8) 0.046(3) Uani 1 1 d .
H18A H 0.0847 0.2867 0.5485 0.056 Uiso 1 1 calc R
C19 C 0.0819(12) 0.1407(7) 0.5392(12) 0.108(6) Uani 1 1 d .
H19A H 0.1030 0.0997 0.5296 0.130 Uiso 1 1 calc R
C20 C 0.0005(12) 0.1558(7) 0.5634(14) 0.119(6) Uani 1 1 d .
H20A H -0.0452 0.1261 0.5732 0.143 Uiso 1 1 calc R
C21 C 0.3753(7) 0.7467(4) 0.3044(7) 0.029(2) Uani 1 1 d .
C22 C 0.3858(8) 0.8091(5) 0.2885(9) 0.061(3) Uani 1 1 d .
H22A H 0.3411 0.8390 0.2995 0.073 Uiso 1 1 calc R
C23 C 0.4642(9) 0.8296(5) 0.2552(10) 0.068(4) Uani 1 1 d .
H23A H 0.4710 0.8731 0.2439 0.081 Uiso 1 1 calc R
C24 C 0.5291(7) 0.7870(4) 0.2397(7) 0.031(2) Uani 1 1 d .
C25 C 0.5183(8) 0.7241(5) 0.2575(8) 0.049(3) Uani 1 1 d .
H25A H 0.5642 0.6943 0.2484 0.059 Uiso 1 1 calc R
C26 C 0.4408(8) 0.7032(5) 0.2890(8) 0.051(3) Uani 1 1 d .
H26A H 0.4337 0.6597 0.2995 0.061 Uiso 1 1 calc R
C27 C 0.6946(8) 0.7760(5) 0.2084(8) 0.046(3) Uani 1 1 d .
H27A H 0.7089 0.7333 0.2287 0.055 Uiso 1 1 calc R
C28 C 0.7075(9) 0.8712(5) 0.1560(9) 0.064(3) Uani 1 1 d .
H28A H 0.7333 0.9069 0.1342 0.077 Uiso 1 1 calc R
C29 C 0.6182(8) 0.8691(5) 0.1720(9) 0.056(3) Uani 1 1 d .
H29A H 0.5695 0.9026 0.1612 0.067 Uiso 1 1 calc R
C30 C 0.2200(7) 0.7629(5) 0.3464(8) 0.046(3) Uani 1 1 d .
H30A H 0.2106 0.8064 0.3298 0.055 Uiso 1 1 calc R
C31 C 0.2859(8) 0.6657(5) 0.3723(8) 0.049(3) Uani 1 1 d .
H31A H 0.3290 0.6302 0.3770 0.059 Uiso 1 1 calc R
C32 C 0.1997(8) 0.6687(5) 0.3979(8) 0.046(3) Uani 1 1 d .
H32A H 0.1731 0.6345 0.4226 0.055 Uiso 1 1 calc R
O1W O 1.024(3) -0.0033(16) 0.551(2) 0.072(15) Uani 0.233(17) 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'
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'
U U -9.6767 9.6646 '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
O2 U1 O1 175.7(2) . .
O2 U1 O5 88.4(2) . 3_755
O1 U1 O5 95.2(2) . 3_755
O2 U1 O5 93.0(2) . .
O1 U1 O5 90.5(2) . .
O5 U1 O5 71.85(18) 3_755 .
O2 U1 O6 92.9(2) . .
O1 U1 O6 85.8(2) . .
O5 U1 O6 141.19(16) 3_755 .
O5 U1 O6 69.35(16) . .
O2 U1 O13 97.8(2) . 3_655
O1 U1 O13 80.5(2) . 3_655
O5 U1 O13 79.96(16) 3_755 3_655
O5 U1 O13 149.48(17) . 3_655
O6 U1 O13 137.89(17) . 3_655
O2 U1 O7 85.1(2) . .
O1 U1 O7 90.5(2) . .
O5 U1 O7 146.50(17) 3_755 .
O5 U1 O7 141.22(16) . .
O6 U1 O7 72.07(17) . .
O13 U1 O7 68.47(17) 3_655 .
O2 U1 U1 90.87(16) . 3_755
O1 U1 U1 93.48(16) . 3_755
O5 U1 U1 36.18(11) 3_755 3_755
O5 U1 U1 35.67(11) . 3_755
O6 U1 U1 105.02(12) . 3_755
O13 U1 U1 115.35(11) 3_655 3_755
O7 U1 U1 174.89(13) . 3_755
O2 U1 U2 100.76(17) . .
O1 U1 U2 80.72(17) . .
O5 U1 U2 104.62(11) 3_755 .
O5 U1 U2 33.51(11) . .
O6 U1 U2 37.15(11) . .
O13 U1 U2 160.96(13) 3_655 .
O7 U1 U2 108.87(12) . .
U1 U1 U2 68.710(10) 3_755 .
O4 U2 O3 174.2(3) . .
O4 U2 O5 90.0(2) . .
O3 U2 O5 95.1(2) . .
O4 U2 O6 91.5(2) . .
O3 U2 O6 92.8(2) . .
O5 U2 O6 72.76(17) . .
O4 U2 O12 89.4(2) . 1_655
O3 U2 O12 88.4(2) . 1_655
O5 U2 O12 83.22(17) . 1_655
O6 U2 O12 155.96(17) . 1_655
O4 U2 O11 83.4(2) . 3_756
O3 U2 O11 90.8(2) . 3_756
O5 U2 O11 156.26(16) . 3_756
O6 U2 O11 129.97(16) . 3_756
O12 U2 O11 73.98(17) 1_655 3_756
O4 U2 O10 88.5(2) . 3_756
O3 U2 O10 88.4(2) . 3_756
O5 U2 O10 151.07(17) . 3_756
O6 U2 O10 78.40(17) . 3_756
O12 U2 O10 125.64(17) 1_655 3_756
O11 U2 O10 51.83(16) 3_756 3_756
O4 U2 C8 84.2(2) . 3_756
O3 U2 C8 90.9(2) . 3_756
O5 U2 C8 173.3(2) . 3_756
O6 U2 C8 104.0(2) . 3_756
O12 U2 C8 100.0(2) 1_655 3_756
O11 U2 C8 26.01(18) 3_756 3_756
O10 U2 C8 25.88(18) 3_756 3_756
O4 U2 U1 98.51(18) . .
O3 U2 U1 87.28(18) . .
O5 U2 U1 35.35(12) . .
O6 U2 U1 38.79(12) . .
O12 U2 U1 117.42(12) 1_655 .
O11 U2 U1 168.35(11) 3_756 .
O10 U2 U1 116.59(12) 3_756 .
C8 U2 U1 142.46(16) 3_756 .
O8 S1 O9 113.6(4) . .
O8 S1 O7 113.5(3) . .
O9 S1 O7 112.9(4) . .
O8 S1 C1 107.1(3) . .
O9 S1 C1 104.8(3) . .
O7 S1 C1 103.9(3) . .
U2 O5 U1 138.9(2) . 3_755
U2 O5 U1 111.14(19) . .
U1 O5 U1 108.15(18) 3_755 .
U2 O6 U1 104.07(18) . .
S1 O7 U1 135.2(3) . .
C8 O10 U2 92.4(4) . 3_756
C8 O11 U2 92.7(5) . 3_756
C7 O12 U2 128.1(5) . 1_455
C7 O13 U1 132.6(5) . 3_655
C17 N1 C15 107.0(8) . .
C17 N1 C9 129.1(8) . .
C15 N1 C9 123.9(8) . .
C17 N2 C16 106.3(9) . .
C18 N3 C19 106.0(9) . .
C18 N3 C12 127.2(9) . .
C19 N3 C12 126.8(10) . .
C18 N4 C20 104.8(10) . .
C27 N5 C29 106.6(7) . .
C27 N5 C24 126.9(8) . .
C29 N5 C24 126.4(7) . .
C27 N6 C28 106.5(8) . .
C30 N7 C31 108.5(8) . .
C30 N7 C21 125.3(8) . .
C31 N7 C21 126.1(8) . .
C32 N8 C30 107.1(8) . .
C6 C1 C2 121.2(7) . .
C6 C1 S1 117.3(6) . .
C2 C1 S1 121.5(5) . .
C1 C2 C3 120.3(7) . .
C2 C3 C4 119.0(7) . .
C2 C3 C7 121.5(6) . .
C4 C3 C7 119.5(6) . .
C5 C4 C3 120.2(7) . .
C4 C5 C6 119.9(7) . .
C4 C5 C8 120.6(6) . .
C6 C5 C8 119.4(7) . .
C1 C6 C5 119.3(7) . .
O13 C7 O12 123.8(7) . .
O13 C7 C3 118.2(7) . .
O12 C7 C3 118.0(7) . .
O10 C8 O11 122.9(7) . .
O10 C8 C5 119.1(7) . .
O11 C8 C5 117.9(7) . .
O10 C8 U2 61.7(4) . 3_756
O11 C8 U2 61.3(4) . 3_756
C5 C8 U2 178.8(6) . 3_756
C10 C9 C14 119.1(8) . .
C10 C9 N1 120.0(8) . .
C14 C9 N1 120.8(8) . .
C9 C10 C11 121.3(10) . .
C12 C11 C10 119.8(10) . .
C11 C12 C13 120.2(9) . .
C11 C12 N3 118.9(9) . .
C13 C12 N3 120.8(9) . .
C12 C13 C14 118.9(9) . .
C9 C14 C13 120.6(9) . .
C16 C15 N1 104.2(10) . .
N2 C16 C15 111.3(10) . .
N2 C17 N1 111.1(9) . .
N4 C18 N3 111.7(10) . .
C20 C19 N3 106.7(12) . .
C19 C20 N4 110.8(12) . .
C22 C21 C26 119.9(9) . .
C22 C21 N7 120.0(8) . .
C26 C21 N7 120.0(8) . .
C21 C22 C23 120.2(9) . .
C24 C23 C22 120.3(10) . .
C23 C24 C25 118.7(9) . .
C23 C24 N5 119.4(8) . .
C25 C24 N5 121.8(8) . .
C24 C25 C26 121.6(9) . .
C21 C26 C25 119.3(9) . .
N6 C27 N5 110.6(9) . .
C29 C28 N6 108.3(9) . .
C28 C29 N5 107.9(9) . .
N7 C30 N8 109.6(9) . .
N7 C31 C32 105.5(9) . .
N8 C32 C31 109.3(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 O2 1.759(5) .
U1 O1 1.783(5) .
U1 O5 2.272(4) 3_755
U1 O5 2.300(4) .
U1 O6 2.394(5) .
U1 O13 2.483(5) 3_655
U1 O7 2.494(5) .
U1 U1 3.7026(6) 3_755
U1 U2 3.7076(4) .
U2 O4 1.778(6) .
U2 O3 1.786(6) .
U2 O5 2.194(4) .
U2 O6 2.308(5) .
U2 O12 2.349(5) 1_655
U2 O11 2.525(5) 3_756
U2 O10 2.535(5) 3_756
U2 C8 2.875(8) 3_756
S1 O8 1.446(6) .
S1 O9 1.449(6) .
S1 O7 1.462(5) .
S1 C1 1.780(7) .
O5 U1 2.272(4) 3_755
O10 C8 1.256(8) .
O10 U2 2.535(5) 3_756
O11 C8 1.262(9) .
O11 U2 2.525(5) 3_756
O12 C7 1.278(8) .
O12 U2 2.349(5) 1_455
O13 C7 1.249(9) .
O13 U1 2.483(5) 3_655
N1 C17 1.336(10) .
N1 C15 1.374(12) .
N1 C9 1.442(10) .
N2 C17 1.311(10) .
N2 C16 1.314(13) .
N3 C18 1.336(11) .
N3 C19 1.354(13) .
N3 C12 1.440(10) .
N4 C18 1.315(11) .
N4 C20 1.341(15) .
N5 C27 1.330(10) .
N5 C29 1.357(10) .
N5 C24 1.453(10) .
N6 C27 1.317(11) .
N6 C28 1.362(12) .
N7 C30 1.324(10) .
N7 C31 1.362(11) .
N7 C21 1.439(10) .
N8 C32 1.335(11) .
N8 C30 1.339(11) .
C1 C6 1.367(10) .
C1 C2 1.381(9) .
C2 C3 1.385(9) .
C3 C4 1.401(9) .
C3 C7 1.485(10) .
C4 C5 1.386(10) .
C5 C6 1.399(10) .
C5 C8 1.520(10) .
C8 U2 2.875(7) 3_756
C9 C10 1.332(12) .
C9 C14 1.364(12) .
C10 C11 1.383(12) .
C11 C12 1.342(12) .
C12 C13 1.369(12) .
C13 C14 1.388(11) .
C15 C16 1.365(14) .
C19 C20 1.331(15) .
C21 C22 1.338(12) .
C21 C26 1.355(12) .
C22 C23 1.406(12) .
C23 C24 1.337(12) .
C24 C25 1.354(11) .
C25 C26 1.380(11) .
C28 C29 1.331(12) .
C31 C32 1.371(11) .
O1W O1W 1.27(6) 3_756
