#------------------------------------------------------------------------------ #$Date: 2014-07-12 07:06:18 +0300 (Sat, 12 Jul 2014) $ #$Revision: 120112 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/01/54/7015472.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_7015472 loop_ _publ_author_name 'R\"omer, Ren\'e' 'Gradert, Christian' 'Bannwarth, Alexander' 'Peters, Gerhard' 'N\"ather, Christian' 'Tuczek, Felix' _publ_section_title ; One-step synthesis of Mo(0) and W(0) bis(dinitrogen) complexes with the linear tetraphosphine ligand prP4: stereoselective formation of cis-[M(N2)2(rac-prP4)] and trans-[M(N2)2(meso-prP4)]; M = Mo, W. ; _journal_issue 13 _journal_name_full 'Dalton transactions (Cambridge, England : 2003)' _journal_page_first 3229 _journal_page_last 3236 _journal_volume 40 _journal_year 2011 _chemical_formula_sum 'C30 H20 Br2 Cu N4 O4 S2' _chemical_formula_weight 787.98 _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 104.05(3) _cell_angle_gamma 90.00 _cell_formula_units_Z 4 _cell_length_a 17.027(3) _cell_length_b 9.5242(19) _cell_length_c 18.442(4) _cell_measurement_reflns_used 3280 _cell_measurement_temperature 173(1) _cell_measurement_theta_max 21.01 _cell_measurement_theta_min 2.47 _cell_volume 2901.2(11) _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _diffrn_ambient_temperature 173(1) _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.999 _diffrn_measurement_device_type 'Bruker X8 APEX II' _diffrn_measurement_method 'area detector' _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 0.071 _diffrn_reflns_av_sigmaI/netI 0.1424 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_h_min -20 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_number 6289 _diffrn_reflns_theta_full 24.99 _diffrn_reflns_theta_max 24.99 _diffrn_reflns_theta_min 1.46 _exptl_absorpt_coefficient_mu 3.696 _exptl_absorpt_correction_T_max 0.691 _exptl_absorpt_correction_T_min 0.445 _exptl_absorpt_correction_type multi-scan _exptl_crystal_colour yellow _exptl_crystal_density_diffrn 1.804 _exptl_crystal_density_method 'not measured' _exptl_crystal_description chip _exptl_crystal_F_000 1564 _exptl_crystal_size_max 0.25 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.10 _refine_diff_density_max 0.922 _refine_diff_density_min -0.582 _refine_diff_density_rms 0.104 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 0.927 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 394 _refine_ls_number_reflns 6289 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 0.927 _refine_ls_R_factor_all 0.1035 _refine_ls_R_factor_gt 0.0497 _refine_ls_shift/su_max 0.012 _refine_ls_shift/su_mean 0.001 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0515P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1119 _refine_ls_wR_factor_ref 0.1182 _reflns_number_gt 3216 _reflns_number_total 6289 _reflns_threshold_expression >2sigma(I) _[local]_cod_data_source_file c0dt01646b.txt _[local]_cod_data_source_block twin _[local]_cod_cif_authors_sg_H-M 'P 21/n' _cod_original_cell_volume 2901.4(10) _cod_database_code 7015472 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 _atom_site_disorder_assembly _atom_site_disorder_group Cu1 Cu 0.0000 0.5000 0.0000 0.0343(3) Uani 1 2 d S . . O1 O -0.0151(2) 0.4384(4) 0.0963(3) 0.0332(12) Uani 1 1 d . . . O2 O 0.0950(2) 0.5938(4) 0.0562(2) 0.0303(11) Uani 1 1 d . . . Br1 Br 0.54739(5) 0.43898(9) 0.70935(5) 0.0550(3) Uani 1 1 d . . . S1 S 0.22847(12) 0.83238(19) 0.32945(10) 0.0405(5) Uani 1 1 d . . . N1 N 0.1715(3) 0.5892(5) 0.2563(3) 0.0263(13) Uani 1 1 d . . . N2 N 0.2745(3) 0.5819(5) 0.3699(3) 0.0254(14) Uani 1 1 d . . . C1 C 0.2322(4) 0.7102(6) 0.1631(3) 0.0352(19) Uani 1 1 d . . . H1A H 0.2181 0.8100 0.1627 0.053 Uiso 1 1 calc R . . H1B H 0.2381 0.6826 0.1135 0.053 Uiso 1 1 calc R . . H1C H 0.2834 0.6940 0.2002 0.053 Uiso 1 1 calc R . . C2 C 0.1663(4) 0.6243(6) 0.1831(4) 0.0223(16) Uani 1 1 d . . . C3 C 0.1030(4) 0.5707(7) 0.1272(4) 0.0278(17) Uani 1 1 d . . . C4 C 0.0434(4) 0.4831(7) 0.1481(4) 0.0266(17) Uani 1 1 d . . . C5 C 0.0575(5) 0.4474(7) 0.2245(4) 0.0373(19) Uani 1 1 d . . . H5 H 0.0217 0.3837 0.2399 0.045 Uiso 1 1 calc R . . C6 C 0.1171(4) 0.4984(7) 0.2736(4) 0.0258(17) Uani 1 1 d . . . H6 H 0.1236 0.4716 0.3243 0.031 Uiso 1 1 calc R . . C7 C 0.2277(4) 0.6537(7) 0.3158(4) 0.0269(17) Uani 1 1 d . . . C8 C 0.2972(4) 0.8096(7) 0.4114(3) 0.0305(18) Uani 1 1 d . . . H8 H 0.3200 0.8842 0.4440 0.037 Uiso 1 1 calc R . . C9 C 0.3163(4) 0.6702(7) 0.4255(4) 0.0263(17) Uani 1 1 d . . . C10 C 0.3722(4) 0.6138(7) 0.4920(4) 0.0250(17) Uani 1 1 d . . . C11 C 0.4097(4) 0.7009(7) 0.5505(4) 0.0345(19) Uani 1 1 d . . . H11 H 0.3990 0.7989 0.5466 0.041 Uiso 1 1 calc R . . C12 C 0.4627(4) 0.6492(8) 0.6145(4) 0.038(2) Uani 1 1 d . . . H12 H 0.4883 0.7107 0.6537 0.046 Uiso 1 1 calc R . . C13 C 0.4773(4) 0.5061(8) 0.6200(4) 0.0346(19) Uani 1 1 d . . . C14 C 0.4419(4) 0.4155(7) 0.5634(4) 0.0334(18) Uani 1 1 d . . . H14 H 0.4530 0.3177 0.5679 0.040 Uiso 1 1 calc R . . C15 C 0.3902(4) 0.4686(7) 0.5000(4) 0.0342(19) Uani 1 1 d . . . H15 H 0.3660 0.4063 0.4606 0.041 Uiso 1 1 calc R . . Cu2 Cu 0.0000 1.0000 0.5000 0.0365(4) Uani 1 2 d S . . O3 O 0.1070(3) 1.0559(4) 0.4913(2) 0.0370(12) Uani 1 1 d . . . O4 O 0.0543(3) 0.9016(4) 0.5880(2) 0.0308(12) Uani 1 1 d . . . Br2 Br 0.71070(4) 1.08230(9) 1.06703(4) 0.0520(3) Uani 1 1 d . . . S2 S 0.34031(11) 0.65625(18) 0.73895(11) 0.0396(5) Uani 1 1 d . . . N3 N 0.2705(3) 0.8964(5) 0.6707(3) 0.0242(14) Uani 1 1 d . . . N4 N 0.3836(3) 0.9104(5) 0.7751(3) 0.0215(13) Uani 1 1 d . . . C16 C 0.1602(4) 0.7894(6) 0.7216(3) 0.0353(19) Uani 1 1 d . . . H16A H 0.1619 0.6883 0.7121 0.053 Uiso 1 1 calc R . . H16B H 0.1045 0.8172 0.7205 0.053 Uiso 1 1 calc R . . H16C H 0.1953 0.8110 0.7708 0.053 Uiso 1 1 calc R . . C17 C 0.1889(4) 0.8685(6) 0.6623(4) 0.0272(17) Uani 1 1 d . . . C18 C 0.1343(4) 0.9220(7) 0.6006(3) 0.0242(16) Uani 1 1 d . . . C19 C 0.1599(4) 1.0078(7) 0.5460(4) 0.0334(19) Uani 1 1 d . . . C20 C 0.2445(4) 1.0344(7) 0.5613(4) 0.0377(19) Uani 1 1 d . . . H20 H 0.2651 1.0925 0.5284 0.045 Uiso 1 1 calc R . . C21 C 0.2944(4) 0.9802(7) 0.6201(4) 0.0320(18) Uani 1 1 d . . . H21 H 0.3505 1.0005 0.6278 0.038 Uiso 1 1 calc R . . C22 C 0.3300(4) 0.8372(7) 0.7296(4) 0.0261(17) Uani 1 1 d . . . C23 C 0.4234(4) 0.6833(7) 0.8100(4) 0.0347(19) Uani 1 1 d . . . H23 H 0.4554 0.6104 0.8375 0.042 Uiso 1 1 calc R . . C24 C 0.4383(4) 0.8246(7) 0.8228(4) 0.0244(17) Uani 1 1 d . . . C25 C 0.5029(4) 0.8870(7) 0.8810(3) 0.0236(17) Uani 1 1 d . . . C26 C 0.5691(4) 0.8038(7) 0.9205(4) 0.0320(18) Uani 1 1 d . . . H26 H 0.5714 0.7067 0.9093 0.038 Uiso 1 1 calc R . . C27 C 0.6292(4) 0.8634(8) 0.9743(4) 0.036(2) Uani 1 1 d . . . H27 H 0.6728 0.8076 1.0013 0.043 Uiso 1 1 calc R . . C28 C 0.6262(4) 1.0069(8) 0.9897(3) 0.0293(18) Uani 1 1 d . . . C29 C 0.5637(4) 1.0879(7) 0.9522(3) 0.0263(17) Uani 1 1 d . . . H29 H 0.5628 1.1853 0.9632 0.032 Uiso 1 1 calc R . . C30 C 0.5017(4) 1.0292(6) 0.8983(3) 0.0255(17) Uani 1 1 d . . . H30 H 0.4578 1.0862 0.8729 0.031 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Cu1 0.0299(7) 0.0360(8) 0.0339(8) -0.0027(7) 0.0018(6) 0.0008(6) O1 0.021(3) 0.031(3) 0.050(3) -0.007(3) 0.011(2) -0.009(2) O2 0.026(3) 0.031(3) 0.029(3) 0.002(2) -0.004(2) 0.000(2) Br1 0.0407(5) 0.0654(6) 0.0523(6) 0.0059(5) -0.0015(4) 0.0074(5) S1 0.0573(14) 0.0219(11) 0.0382(12) -0.0029(10) 0.0037(10) -0.0091(10) N1 0.025(3) 0.029(3) 0.026(3) 0.003(3) 0.009(3) 0.001(3) N2 0.020(3) 0.030(4) 0.028(3) -0.004(3) 0.008(3) -0.006(3) C1 0.037(5) 0.033(5) 0.034(4) 0.004(4) 0.004(4) -0.007(4) C2 0.021(4) 0.014(4) 0.033(5) -0.003(3) 0.008(4) 0.001(3) C3 0.026(4) 0.028(4) 0.027(4) 0.008(4) 0.002(4) 0.011(4) C4 0.024(4) 0.017(4) 0.036(5) -0.004(4) 0.001(4) 0.007(3) C5 0.061(6) 0.027(4) 0.027(5) -0.007(4) 0.018(4) -0.021(4) C6 0.023(4) 0.033(4) 0.023(4) 0.017(4) 0.010(4) 0.007(4) C7 0.029(4) 0.023(4) 0.035(5) -0.010(4) 0.019(4) -0.012(4) C8 0.042(5) 0.027(4) 0.023(4) -0.004(4) 0.009(4) -0.007(4) C9 0.028(4) 0.018(4) 0.038(5) -0.003(4) 0.018(4) -0.010(4) C10 0.017(4) 0.029(5) 0.031(4) -0.003(4) 0.011(3) -0.012(3) C11 0.047(5) 0.023(4) 0.033(5) -0.002(4) 0.008(4) -0.009(4) C12 0.029(5) 0.041(5) 0.044(5) -0.008(4) 0.006(4) -0.016(4) C13 0.015(4) 0.047(5) 0.041(5) 0.004(5) 0.005(4) 0.006(4) C14 0.028(4) 0.029(5) 0.043(5) -0.003(4) 0.009(4) -0.001(4) C15 0.021(4) 0.039(5) 0.043(5) -0.012(4) 0.011(4) -0.010(4) Cu2 0.0332(8) 0.0354(8) 0.0353(8) -0.0031(7) -0.0024(6) 0.0004(6) O3 0.044(3) 0.036(3) 0.029(3) 0.005(2) 0.004(3) 0.005(3) O4 0.032(3) 0.027(3) 0.029(3) -0.002(2) 0.000(2) -0.004(2) Br2 0.0312(5) 0.0800(7) 0.0406(5) -0.0116(5) 0.0003(4) -0.0022(5) S2 0.0417(12) 0.0224(10) 0.0490(13) 0.0046(10) -0.0001(10) -0.0008(10) N3 0.016(3) 0.028(4) 0.029(3) 0.000(3) 0.006(3) 0.000(3) N4 0.016(3) 0.026(3) 0.023(3) -0.005(3) 0.006(3) -0.003(3) C16 0.025(4) 0.032(5) 0.048(5) 0.001(4) 0.006(4) -0.011(3) C17 0.037(5) 0.017(4) 0.027(4) -0.006(3) 0.005(4) -0.003(4) C18 0.023(4) 0.029(4) 0.020(4) -0.010(4) 0.002(3) -0.010(4) C19 0.018(4) 0.029(4) 0.047(5) -0.027(4) -0.004(4) 0.001(4) C20 0.040(5) 0.040(5) 0.031(5) 0.013(4) 0.006(4) 0.007(4) C21 0.026(4) 0.043(5) 0.027(4) 0.000(4) 0.006(4) -0.008(4) C22 0.024(4) 0.026(4) 0.031(4) 0.006(4) 0.013(4) 0.005(4) C23 0.046(5) 0.025(4) 0.034(5) 0.016(4) 0.011(4) 0.007(4) C24 0.021(4) 0.022(4) 0.033(4) 0.011(4) 0.013(4) 0.006(4) C25 0.018(4) 0.033(5) 0.021(4) 0.002(4) 0.008(3) -0.006(3) C26 0.032(5) 0.034(5) 0.033(5) 0.015(4) 0.015(4) 0.008(4) C27 0.026(5) 0.060(6) 0.021(4) 0.019(4) 0.003(4) 0.008(4) C28 0.031(5) 0.036(5) 0.024(4) -0.013(4) 0.013(4) -0.007(4) C29 0.024(4) 0.028(4) 0.027(4) 0.002(4) 0.007(3) 0.006(4) C30 0.033(4) 0.026(5) 0.019(4) 0.005(3) 0.009(3) 0.004(3) 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' Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Br Br -0.2901 2.4595 '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 O2 Cu1 O2 180.0(2) 3_565 . ? O2 Cu1 O1 94.15(18) 3_565 . ? O2 Cu1 O1 85.85(18) . . ? O2 Cu1 O1 85.85(18) 3_565 3_565 ? O2 Cu1 O1 94.15(18) . 3_565 ? O1 Cu1 O1 180.0(2) . 3_565 ? C4 O1 Cu1 109.4(4) . . ? C3 O2 Cu1 109.5(4) . . ? C8 S1 C7 89.0(3) . . ? C6 N1 C2 120.0(5) . . ? C6 N1 C7 117.8(5) . . ? C2 N1 C7 121.9(5) . . ? C7 N2 C9 110.9(5) . . ? N1 C2 C3 119.4(6) . . ? N1 C2 C1 120.0(6) . . ? C3 C2 C1 120.4(6) . . ? O2 C3 C2 123.7(6) . . ? O2 C3 C4 117.3(6) . . ? C2 C3 C4 119.0(6) . . ? O1 C4 C5 125.5(6) . . ? O1 C4 C3 117.8(6) . . ? C5 C4 C3 116.6(6) . . ? C6 C5 C4 121.9(6) . . ? C5 C6 N1 122.9(6) . . ? N2 C7 N1 122.6(6) . . ? N2 C7 S1 115.1(5) . . ? N1 C7 S1 121.6(5) . . ? C9 C8 S1 112.0(5) . . ? C8 C9 N2 113.0(6) . . ? C8 C9 C10 126.1(6) . . ? N2 C9 C10 120.8(6) . . ? C11 C10 C15 117.2(6) . . ? C11 C10 C9 121.0(6) . . ? C15 C10 C9 121.8(6) . . ? C10 C11 C12 122.0(6) . . ? C13 C12 C11 118.6(7) . . ? C14 C13 C12 121.6(7) . . ? C14 C13 Br1 121.0(6) . . ? C12 C13 Br1 117.4(6) . . ? C13 C14 C15 119.1(6) . . ? C14 C15 C10 121.6(7) . . ? O4 Cu2 O4 180.000(1) . 3_576 ? O4 Cu2 O3 93.80(18) . 3_576 ? O4 Cu2 O3 86.20(18) 3_576 3_576 ? O4 Cu2 O3 86.20(18) . . ? O4 Cu2 O3 93.80(18) 3_576 . ? O3 Cu2 O3 180.0(2) 3_576 . ? C19 O3 Cu2 109.6(4) . . ? C18 O4 Cu2 109.9(4) . . ? C23 S2 C22 88.3(3) . . ? C21 N3 C17 119.6(6) . . ? C21 N3 C22 118.9(5) . . ? C17 N3 C22 121.5(6) . . ? C22 N4 C24 110.9(5) . . ? C18 C17 N3 118.5(6) . . ? C18 C17 C16 120.7(6) . . ? N3 C17 C16 120.7(6) . . ? O4 C18 C17 123.0(6) . . ? O4 C18 C19 115.3(6) . . ? C17 C18 C19 121.7(6) . . ? O3 C19 C20 125.8(7) . . ? O3 C19 C18 118.9(6) . . ? C20 C19 C18 115.2(7) . . ? C21 C20 C19 121.2(7) . . ? C20 C21 N3 123.7(6) . . ? N4 C22 N3 123.3(6) . . ? N4 C22 S2 115.8(5) . . ? N3 C22 S2 120.6(5) . . ? C24 C23 S2 111.3(5) . . ? C23 C24 N4 113.6(6) . . ? C23 C24 C25 126.6(6) . . ? N4 C24 C25 119.8(6) . . ? C30 C25 C26 118.6(6) . . ? C30 C25 C24 120.8(6) . . ? C26 C25 C24 120.6(6) . . ? C27 C26 C25 120.1(6) . . ? C26 C27 C28 119.7(6) . . ? C29 C28 C27 120.9(6) . . ? C29 C28 Br2 121.5(5) . . ? C27 C28 Br2 117.5(6) . . ? C28 C29 C30 120.2(6) . . ? C29 C30 C25 120.5(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 Cu1 O2 1.917(4) 3_565 ? Cu1 O2 1.917(4) . ? Cu1 O1 1.946(4) . ? Cu1 O1 1.946(4) 3_565 ? O1 C4 1.274(7) . ? O2 C3 1.301(7) . ? Br1 C13 1.895(7) . ? S1 C8 1.687(6) . ? S1 C7 1.720(6) . ? N1 C6 1.361(7) . ? N1 C2 1.373(7) . ? N1 C7 1.410(7) . ? N2 C7 1.307(7) . ? N2 C9 1.384(7) . ? C1 C2 1.504(8) . ? C2 C3 1.395(8) . ? C3 C4 1.437(9) . ? C4 C5 1.412(8) . ? C5 C6 1.280(8) . ? C8 C9 1.377(8) . ? C9 C10 1.460(8) . ? C10 C11 1.387(8) . ? C10 C15 1.416(8) . ? C11 C12 1.391(8) . ? C12 C13 1.384(9) . ? C13 C14 1.377(9) . ? C14 C15 1.378(8) . ? Cu2 O4 1.907(4) . ? Cu2 O4 1.907(4) 3_576 ? Cu2 O3 1.942(4) 3_576 ? Cu2 O3 1.942(4) . ? O3 C19 1.265(7) . ? O4 C18 1.338(7) . ? Br2 C28 1.904(6) . ? S2 C23 1.698(7) . ? S2 C22 1.736(6) . ? N3 C21 1.364(7) . ? N3 C17 1.386(7) . ? N3 C22 1.411(7) . ? N4 C22 1.285(7) . ? N4 C24 1.382(7) . ? C16 C17 1.503(8) . ? C17 C18 1.381(8) . ? C18 C19 1.445(9) . ? C19 C20 1.420(9) . ? C20 C21 1.310(8) . ? C23 C24 1.379(8) . ? C24 C25 1.464(8) . ? C25 C30 1.393(8) . ? C25 C26 1.424(8) . ? C26 C27 1.364(8) . ? C27 C28 1.399(9) . ? C28 C29 1.359(8) . ? C29 C30 1.381(8) . ? _journal_paper_doi 10.1039/c0dt01646b