#------------------------------------------------------------------------------ #$Date: 2019-11-10 07:47:08 +0200 (Sun, 10 Nov 2019) $ #$Revision: 225905 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/51/57/4515783.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_4515783 loop_ _publ_author_name 'Messinis, Antonis M.' 'Wright, William R. H.' 'Batsanov, Andrei S.' 'Howard, Judith A. K.' 'Hanton, Martin J.' 'Dyer, Philip W.' _publ_section_title ; Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes ; _journal_issue 12 _journal_name_full 'ACS Catalysis' _journal_page_first 11235 _journal_paper_doi 10.1021/acscatal.8b02201 _journal_volume 8 _journal_year 2018 _chemical_formula_moiety 'C24 H34 Cl8 N2 W2, C6 D6' _chemical_formula_sum 'C30 H34 Cl8 D6 N2 W2' _chemical_formula_weight 1085.97 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2yn' _space_group_name_H-M_alt 'P 1 21/n 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary heavy _atom_sites_solution_secondary difmap _audit_creation_date 2016-11-30 _audit_creation_method ; Olex2 1.2-beta (compiled 2016.11.30 svn.r3356 for OlexSys, GUI svn.r5269) ; _cell_angle_alpha 90 _cell_angle_beta 93.494(10) _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 9.7378(6) _cell_length_b 11.3900(7) _cell_length_c 16.7268(9) _cell_measurement_reflns_used 9898 _cell_measurement_temperature 120 _cell_measurement_theta_max 33.91 _cell_measurement_theta_min 2.16 _cell_volume 1851.78(19) _computing_cell_refinement 'SAINT v7.46A (Bruker, 2008)' _computing_data_collection 'SMART v5.630 (Bruker, 2003)' _computing_data_reduction 'SAINT v7.46A (Bruker, 2008)' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL 2014/7 multi-CPU version (Sheldrick, 2015)' _computing_structure_solution 'SHELXS 2013/1 (Sheldrick, 2008)' _diffrn_ambient_temperature 120 _diffrn_detector 'CCD area detector' _diffrn_detector_area_resol_mean 5.6 _diffrn_detector_type 'Bruker SMART 6000' _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 1.000 _diffrn_measurement_device 'three-circle diffractometer' _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method '\w scans' _diffrn_radiation_monochromator graphite _diffrn_radiation_probe x-ray _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_xray_symbol K-L~3~ _diffrn_reflns_av_R_equivalents 0.0450 _diffrn_reflns_av_unetI/netI 0.0344 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 1.000 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_l_max 25 _diffrn_reflns_limit_l_min -25 _diffrn_reflns_number 38473 _diffrn_reflns_point_group_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 1.000 _diffrn_reflns_theta_full 32.500 _diffrn_reflns_theta_max 32.500 _diffrn_reflns_theta_min 2.164 _diffrn_source 'sealed X-ray tube' _diffrn_source_current 35.0 _diffrn_source_power 1.75 _diffrn_source_target Mo _diffrn_source_voltage 50.0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 6.808 _exptl_absorpt_correction_T_max 0.4370 _exptl_absorpt_correction_T_min 0.3467 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; SADABS-2009/1 (Bruker,2010) was used for absorption correction. wR2(int) was 0.0758 before and 0.0584 after correction. The Ratio of minimum to maximum transmission is 0.7934. The \l/2 correction factor is 0.0015. ; _exptl_crystal_colour 'dark red' _exptl_crystal_density_diffrn 1.948 _exptl_crystal_description 'irregular block' _exptl_crystal_F_000 1036 _exptl_crystal_size_max 0.17 _exptl_crystal_size_mid 0.14 _exptl_crystal_size_min 0.1 _refine_diff_density_max 4.583 _refine_diff_density_min -1.404 _refine_diff_density_rms 0.179 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.059 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 198 _refine_ls_number_reflns 6716 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.059 _refine_ls_R_factor_all 0.0408 _refine_ls_R_factor_gt 0.0305 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+8.0490P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0611 _refine_ls_wR_factor_ref 0.0654 _reflns_Friedel_coverage 0.000 _reflns_number_gt 5593 _reflns_number_total 6716 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file cs8b02201_si_002.cif _cod_data_source_block 1g-C6D6 _cod_database_code 4515783 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_max 0.549 _shelx_estimated_absorpt_t_min 0.391 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups 2. Others Uiso(H8A)=Uiso(H8B)=Uiso(H8C)=FVAR(1) Uiso(H9A)=Uiso(H9B)=Uiso(H9C)=FVAR(2) Uiso(H11A)=Uiso(H11B)=Uiso(H11C)=FVAR(3) Uiso(H12A)=Uiso(H12B)=Uiso(H12C)=FVAR(4) 3.a Ternary CH refined with riding coordinates: C7(H7), C10(H10) 3.b Aromatic/amide H refined with riding coordinates: C3(H3), C4(H4), C5(H5), C13(D13), C14(D14), C15(D15) 3.c Idealised Me refined as rotating group: C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C) ; _shelx_res_file ; 12srv247.res created by SHELXL-2014/7 TITL 12asb010 in P21/n #14 REM reset to P21/n #14 CELL 0.71073 9.7378 11.39 16.7268 90 93.494 90 ZERR 2 0.0006 0.0007 0.0009 0 0.01 0 LATT 1 SYMM 0.5-X,0.5+Y,0.5-Z SFAC C D Cl H N W UNIT 60 12 16 68 4 4 L.S. 7 PLAN 6 SIZE 0.1 0.14 0.17 TEMP -153 BOND fmap 2 acta 60 OMIT -3 65 REM REM REM WGHT 0.000000 8.049000 FVAR 0.24621 0.04778 0.04153 0.04261 0.04575 W 6 0.500803 0.340065 0.451534 11.00000 0.01721 0.01553 = 0.01568 -0.00132 0.00103 0.00136 CL1 3 0.510282 0.543398 0.407904 11.00000 0.02421 0.01749 = 0.01490 0.00023 0.00146 0.00113 CL2 3 0.733558 0.354133 0.482043 11.00000 0.01685 0.02387 = 0.02564 -0.00400 -0.00220 0.00344 CL3 3 0.487944 0.171247 0.525770 11.00000 0.03029 0.01964 = 0.02606 0.00494 0.00107 0.00063 CL4 3 0.264232 0.362135 0.448978 11.00000 0.01629 0.02316 = 0.02461 -0.00215 0.00153 0.00061 N 5 0.509260 0.280624 0.357284 11.00000 0.01833 0.01537 = 0.02210 -0.00106 0.00247 0.00199 C1 1 0.517302 0.234477 0.280645 11.00000 0.01917 0.01746 = 0.01872 -0.00275 -0.00013 0.00285 C2 1 0.422125 0.146690 0.254218 11.00000 0.02007 0.02326 = 0.01878 -0.00161 -0.00024 0.00045 C3 1 0.433793 0.102888 0.177368 11.00000 0.03021 0.02913 = 0.02064 -0.00531 0.00051 -0.00645 AFIX 43 H3 4 0.370745 0.044927 0.157083 11.00000 -1.20000 AFIX 0 C4 1 0.536311 0.142588 0.129724 11.00000 0.03678 0.03512 = 0.01727 -0.00398 0.00437 -0.00239 AFIX 43 H4 4 0.542509 0.110966 0.077512 11.00000 -1.20000 AFIX 0 C5 1 0.629427 0.227361 0.157081 11.00000 0.03026 0.02742 = 0.02084 -0.00390 0.00690 -0.00278 AFIX 43 H5 4 0.699245 0.252463 0.123676 11.00000 -1.20000 AFIX 0 C6 1 0.622115 0.276380 0.232984 11.00000 0.02055 0.02092 = 0.01969 -0.00123 0.00175 0.00186 C7 1 0.310318 0.102618 0.305891 11.00000 0.01943 0.02201 = 0.01992 -0.00216 0.00138 -0.00092 AFIX 13 H7 4 0.338199 0.121411 0.362986 11.00000 -1.20000 AFIX 0 C8 1 0.175187 0.165729 0.283761 11.00000 0.02263 0.03272 = 0.03288 -0.00187 0.00058 0.00141 AFIX 137 H8A 4 0.186095 0.249846 0.294714 11.00000 21.00000 H8B 4 0.102663 0.133908 0.315642 11.00000 21.00000 H8C 4 0.149969 0.153989 0.226706 11.00000 21.00000 AFIX 0 C9 1 0.289080 -0.030333 0.299009 11.00000 0.04306 0.02597 = 0.03550 0.00098 0.01041 -0.00250 AFIX 137 H9A 4 0.253071 -0.049878 0.244649 11.00000 31.00000 H9B 4 0.223409 -0.055775 0.337621 11.00000 31.00000 H9C 4 0.377174 -0.070408 0.310353 11.00000 31.00000 AFIX 0 C10 1 0.725553 0.367973 0.262420 11.00000 0.02203 0.02287 = 0.02144 0.00068 0.00283 0.00038 AFIX 13 H10 4 0.693230 0.402137 0.313044 11.00000 -1.20000 AFIX 0 C11 1 0.864783 0.309735 0.282211 11.00000 0.02365 0.03280 = 0.04255 -0.00040 -0.00147 -0.00162 AFIX 137 H11A 4 0.854768 0.248769 0.322786 11.00000 41.00000 H11B 4 0.930884 0.368859 0.302898 11.00000 41.00000 H11C 4 0.898027 0.274212 0.233648 11.00000 41.00000 AFIX 0 C12 1 0.738072 0.468169 0.202498 11.00000 0.04343 0.02446 = 0.03334 0.00334 -0.00123 -0.00654 AFIX 137 H12A 4 0.773373 0.437449 0.153014 11.00000 51.00000 H12B 4 0.801479 0.527743 0.225471 11.00000 51.00000 H12C 4 0.647388 0.503550 0.190595 11.00000 51.00000 AFIX 0 C13 1 0.491820 0.380986 -0.016003 11.00000 0.03283 0.02304 = 0.02934 -0.00034 0.00041 0.00087 AFIX 43 D13 2 0.486492 0.299204 -0.026906 11.00000 -1.20000 AFIX 0 C14 1 0.617946 0.437525 -0.012925 11.00000 0.02398 0.03328 = 0.02940 0.00005 0.00402 0.00378 AFIX 43 D14 2 0.699142 0.394502 -0.021930 11.00000 -1.20000 AFIX 0 C15 1 0.625917 0.556408 0.003220 11.00000 0.02634 0.03100 = 0.03345 0.00014 0.00353 -0.00631 AFIX 43 D15 2 0.712575 0.594966 0.005506 11.00000 -1.20000 AFIX 0 HKLF 4 REM 12asb010 in P21/n #14 REM R1 = 0.0305 for 5593 Fo > 4sig(Fo) and 0.0408 for all 6716 data REM 198 parameters refined using 0 restraints END WGHT 0.0000 8.0667 REM Highest difference peak 4.583, deepest hole -1.404, 1-sigma level 0.179 Q1 1 0.4988 0.0195 0.5485 11.00000 0.05 4.58 Q2 1 0.5027 0.6621 0.3537 11.00000 0.05 4.15 Q3 1 0.5727 0.3462 0.4578 11.00000 0.05 1.40 Q4 1 0.4315 0.3418 0.4426 11.00000 0.05 1.37 Q5 1 0.2756 0.3561 0.4120 11.00000 0.05 1.20 Q6 1 0.5134 0.4609 0.3098 11.00000 0.05 1.19 ; _shelx_res_checksum 16754 loop_ _space_group_symop_operation_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_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn W W 0.50080(2) 0.34006(2) 0.45153(2) 0.01614(4) Uani 1 1 d . Cl1 Cl 0.51028(8) 0.54340(7) 0.40790(4) 0.01885(14) Uani 1 1 d . Cl2 Cl 0.73356(8) 0.35413(7) 0.48204(5) 0.02226(15) Uani 1 1 d . Cl3 Cl 0.48794(9) 0.17125(7) 0.52577(5) 0.02536(16) Uani 1 1 d . Cl4 Cl 0.26423(8) 0.36214(7) 0.44898(5) 0.02134(15) Uani 1 1 d . N N 0.5093(3) 0.2806(2) 0.35728(17) 0.0186(5) Uani 1 1 d . C1 C 0.5173(3) 0.2345(3) 0.2806(2) 0.0185(6) Uani 1 1 d . C2 C 0.4221(3) 0.1467(3) 0.2542(2) 0.0208(6) Uani 1 1 d . C3 C 0.4338(4) 0.1029(3) 0.1774(2) 0.0267(7) Uani 1 1 d . H3 H 0.3707 0.0449 0.1571 0.032 Uiso 1 1 calc R C4 C 0.5363(4) 0.1426(4) 0.1297(2) 0.0296(8) Uani 1 1 d . H4 H 0.5425 0.1110 0.0775 0.036 Uiso 1 1 calc R C5 C 0.6294(4) 0.2274(3) 0.1571(2) 0.0260(7) Uani 1 1 d . H5 H 0.6992 0.2525 0.1237 0.031 Uiso 1 1 calc R C6 C 0.6221(3) 0.2764(3) 0.2330(2) 0.0204(6) Uani 1 1 d . C7 C 0.3103(3) 0.1026(3) 0.3059(2) 0.0204(6) Uani 1 1 d . H7 H 0.3382 0.1214 0.3630 0.025 Uiso 1 1 calc R C8 C 0.1752(4) 0.1657(4) 0.2838(2) 0.0295(8) Uani 1 1 d . H8A H 0.1861 0.2498 0.2947 0.048(9) Uiso 1 1 calc GR H8B H 0.1027 0.1339 0.3156 0.048(9) Uiso 1 1 calc GR H8C H 0.1500 0.1540 0.2267 0.048(9) Uiso 1 1 calc GR C9 C 0.2891(5) -0.0303(4) 0.2990(3) 0.0345(9) Uani 1 1 d . H9A H 0.2531 -0.0499 0.2446 0.042(8) Uiso 1 1 calc GR H9B H 0.2234 -0.0558 0.3376 0.042(8) Uiso 1 1 calc GR H9C H 0.3772 -0.0704 0.3104 0.042(8) Uiso 1 1 calc GR C10 C 0.7256(4) 0.3680(3) 0.2624(2) 0.0221(6) Uani 1 1 d . H10 H 0.6932 0.4021 0.3130 0.026 Uiso 1 1 calc R C11 C 0.8648(4) 0.3097(4) 0.2822(3) 0.0331(9) Uani 1 1 d . H11A H 0.8548 0.2488 0.3228 0.043(8) Uiso 1 1 calc GR H11B H 0.9309 0.3689 0.3029 0.043(8) Uiso 1 1 calc GR H11C H 0.8980 0.2742 0.2336 0.043(8) Uiso 1 1 calc GR C12 C 0.7381(5) 0.4682(4) 0.2025(3) 0.0339(9) Uani 1 1 d . H12A H 0.7734 0.4374 0.1530 0.046(9) Uiso 1 1 calc GR H12B H 0.8015 0.5277 0.2255 0.046(9) Uiso 1 1 calc GR H12C H 0.6474 0.5035 0.1906 0.046(9) Uiso 1 1 calc GR C13 C 0.4918(4) 0.3810(3) -0.0160(2) 0.0285(8) Uani 1 1 d . D13 D 0.4865 0.2992 -0.0269 0.034 Uiso 1 1 calc R C14 C 0.6179(4) 0.4375(4) -0.0129(2) 0.0288(8) Uani 1 1 d . D14 D 0.6991 0.3945 -0.0219 0.035 Uiso 1 1 calc R C15 C 0.6259(4) 0.5564(4) 0.0032(2) 0.0302(8) Uani 1 1 d . D15 D 0.7126 0.5950 0.0055 0.036 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 W 0.01721(6) 0.01553(6) 0.01568(6) -0.00132(4) 0.00103(4) 0.00136(5) Cl1 0.0242(4) 0.0175(3) 0.0149(3) 0.0002(2) 0.0015(3) 0.0011(3) Cl2 0.0168(3) 0.0239(4) 0.0256(4) -0.0040(3) -0.0022(3) 0.0034(3) Cl3 0.0303(4) 0.0196(4) 0.0261(4) 0.0049(3) 0.0011(3) 0.0006(3) Cl4 0.0163(3) 0.0232(4) 0.0246(4) -0.0021(3) 0.0015(3) 0.0006(3) N 0.0183(12) 0.0154(12) 0.0221(13) -0.0011(10) 0.0025(10) 0.0020(10) C1 0.0192(14) 0.0175(14) 0.0187(14) -0.0027(11) -0.0001(11) 0.0029(11) C2 0.0201(15) 0.0233(16) 0.0188(14) -0.0016(12) -0.0002(11) 0.0004(12) C3 0.0302(19) 0.0291(18) 0.0206(16) -0.0053(14) 0.0005(13) -0.0064(14) C4 0.037(2) 0.035(2) 0.0173(15) -0.0040(14) 0.0044(14) -0.0024(16) C5 0.0303(18) 0.0274(17) 0.0208(16) -0.0039(13) 0.0069(14) -0.0028(14) C6 0.0205(15) 0.0209(15) 0.0197(15) -0.0012(12) 0.0017(12) 0.0019(12) C7 0.0194(15) 0.0220(15) 0.0199(15) -0.0022(12) 0.0014(12) -0.0009(12) C8 0.0226(17) 0.0327(19) 0.0329(19) -0.0019(16) 0.0006(14) 0.0014(15) C9 0.043(2) 0.0260(19) 0.035(2) 0.0010(16) 0.0104(18) -0.0025(17) C10 0.0220(16) 0.0229(16) 0.0214(15) 0.0007(12) 0.0028(12) 0.0004(12) C11 0.0237(18) 0.033(2) 0.043(2) -0.0004(17) -0.0015(16) -0.0016(15) C12 0.043(2) 0.0245(18) 0.033(2) 0.0033(15) -0.0012(17) -0.0065(16) C13 0.033(2) 0.0230(17) 0.0293(19) -0.0003(14) 0.0004(15) 0.0009(15) C14 0.0240(17) 0.033(2) 0.0294(18) 0.0001(15) 0.0040(14) 0.0038(15) C15 0.0263(18) 0.0310(19) 0.033(2) 0.0001(15) 0.0035(15) -0.0063(15) 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' D D 0.0000 0.0000 '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' 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' W W -0.8490 6.8722 '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 Cl1 W Cl1 78.34(3) . 3_666 Cl2 W Cl1 82.18(3) . 3_666 Cl2 W Cl1 86.86(3) . . Cl2 W Cl4 164.42(3) . . Cl3 W Cl1 164.59(3) . . Cl3 W Cl1 86.25(3) . 3_666 Cl3 W Cl2 91.37(3) . . Cl3 W Cl4 90.80(3) . . Cl4 W Cl1 86.96(3) . . Cl4 W Cl1 82.56(3) . 3_666 N W Cl1 173.79(9) . 3_666 N W Cl1 95.44(9) . . N W Cl2 97.42(10) . . N W Cl3 99.96(9) . . N W Cl4 97.40(10) . . W Cl1 W 101.66(3) . 3_666 C1 N W 178.9(3) . . N C1 C2 118.8(3) . . N C1 C6 118.3(3) . . C6 C1 C2 122.9(3) . . C1 C2 C7 122.3(3) . . C3 C2 C1 117.0(3) . . C3 C2 C7 120.7(3) . . C2 C3 C4 121.0(3) . . C5 C4 C3 121.1(3) . . C4 C5 C6 120.8(3) . . C1 C6 C10 122.6(3) . . C5 C6 C1 117.2(3) . . C5 C6 C10 120.2(3) . . C2 C7 C8 110.2(3) . . C2 C7 C9 112.5(3) . . C8 C7 C9 109.7(3) . . C6 C10 C11 109.6(3) . . C6 C10 C12 112.3(3) . . C11 C10 C12 111.2(3) . . C15 C13 C14 119.9(4) 3_665 . C15 C14 C13 120.1(4) . . C13 C15 C14 120.0(4) 3_665 . loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 W Cl1 2.4317(8) . W Cl1 2.7079(8) 3_666 W Cl2 2.2983(8) . W Cl3 2.2965(8) . W Cl4 2.3152(8) . W N 1.722(3) . Cl1 W 2.7078(8) 3_666 N C1 1.392(4) . C1 C2 1.416(5) . C1 C6 1.416(5) . C2 C3 1.390(5) . C2 C7 1.516(5) . C3 C4 1.390(5) . C4 C5 1.383(5) . C5 C6 1.393(5) . C6 C10 1.512(5) . C7 C8 1.525(5) . C7 C9 1.532(5) . C10 C11 1.527(5) . C10 C12 1.529(5) . C13 C14 1.385(6) . C13 C15 1.378(6) 3_665 C14 C15 1.382(6) . C15 C13 1.378(6) 3_665