#------------------------------------------------------------------------------ #$Date: 2016-02-20 03:06:23 +0000 (Sat, 20 Feb 2016) $ #$Revision: 176774 $ #$URL: svn://www.crystallography.net/cod/cif/2/20/08/2200859.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2200859 loop_ _publ_author_name 'Fl\"orke, Ulrich' 'Petters, Dina' _publ_section_title ; Heptacarbonyl(\a-ethoxybenzylidene)di-\m-diethylphosphidodirhenium ; _journal_issue 3 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m88 _journal_page_last m89 _journal_paper_doi 10.1107/S1600536802002258 _journal_volume 58 _journal_year 2002 _chemical_formula_iupac '[Re2 (C9 H10 O1) (C4 H10 P)2 (C O)7]' _chemical_formula_moiety 'C24 H30 O8 P2 Re2' _chemical_formula_sum 'C24 H30 O8 P2 Re2' _chemical_formula_weight 880.82 _chemical_name_systematic ; Bis(\m-diethylphosphido)heptacarbonyl- \a-ethoxybenzylidene-di-rhenium ; _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 73.040(10) _cell_angle_beta 78.820(10) _cell_angle_gamma 88.590(10) _cell_formula_units_Z 2 _cell_length_a 8.425(2) _cell_length_b 10.5040(10) _cell_length_c 17.674(4) _cell_measurement_reflns_used 29 _cell_measurement_temperature 200(2) _cell_measurement_theta_max 23.679 _cell_measurement_theta_min 7.764 _cell_volume 1466.8(5) _computing_cell_refinement XSCANS _computing_data_collection 'XSCANS (Bruker, 1996)' _computing_data_reduction 'SHELXTL (Bruker, 1998)' _computing_molecular_graphics SHELXTL _computing_publication_material SHELXTL _computing_structure_refinement SHELXTL _computing_structure_solution SHELXTL _diffrn_ambient_temperature 200(2) _diffrn_measured_fraction_theta_full .989 _diffrn_measured_fraction_theta_max .989 _diffrn_measurement_device_type 'Bruker P4' _diffrn_measurement_method \w _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength .71073 _diffrn_reflns_av_R_equivalents .0227 _diffrn_reflns_av_sigmaI/netI .0441 _diffrn_reflns_limit_h_max 1 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_number 8026 _diffrn_reflns_theta_full 27.50 _diffrn_reflns_theta_max 27.50 _diffrn_reflns_theta_min 2.46 _diffrn_standards_decay_% 1 _diffrn_standards_interval_count 397 _diffrn_standards_number 3 _exptl_absorpt_coefficient_mu 8.396 _exptl_absorpt_correction_T_max .608 _exptl_absorpt_correction_T_min .083 _exptl_absorpt_correction_type '\y scan' _exptl_absorpt_process_details '(North et al., 1968)' _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 1.994 _exptl_crystal_density_meas ? _exptl_crystal_density_method none _exptl_crystal_description needle _exptl_crystal_F_000 836 _exptl_crystal_size_max .38 _exptl_crystal_size_mid .15 _exptl_crystal_size_min .06 _refine_diff_density_max .940 _refine_diff_density_min -.822 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref .983 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 330 _refine_ls_number_reflns 6665 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all .983 _refine_ls_R_factor_all .0556 _refine_ls_R_factor_gt .0377 _refine_ls_shift/su_max <0.001 _refine_ls_shift/su_mean .000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w = 1/[\s^2^(Fo^2^)+(0.0575P)^2^] where P = (Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt .0868 _refine_ls_wR_factor_ref .0958 _reflns_number_gt 5086 _reflns_number_total 6665 _reflns_threshold_expression I>2\s(I) _cod_data_source_file cf6148.cif _cod_data_source_block I _cod_depositor_comments ; The following automatic conversions were performed: '_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic' according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29. Automatic conversion script Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius The following automatic conversions were performed: '_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic' according to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29. Automatic conversion script Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana The following automatic conversions were performed: '_exptl_crystal_density_meas' value 'not measured' was changed to '?' - the value is perceived as not measured. Automatic conversion script Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas ; _cod_database_code 2200859 _cod_database_fobs_code 2200859 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group _atom_site_type_symbol Re1 -.00177(3) .37089(3) .358736(14) .02719(10) Uani d . 1 . . Re Re2 .29648(3) .26519(2) .186324(13) .02267(9) Uani d . 1 . . Re P1 .0457(2) .39188(17) .21057(9) .0229(3) Uani d . 1 . . P P2 .2345(2) .22693(18) .33571(10) .0265(4) Uani d . 1 . . P C1 .1543(10) .5263(8) .3305(5) .0409(18) Uani d . 1 . . C O1 .2431(8) .6143(6) .3136(4) .0615(18) Uani d . 1 . . O C2 -.0091(10) .3383(8) .4742(5) .0415(19) Uani d . 1 . . C O2 -.0171(8) .3213(7) .5422(3) .0628(19) Uani d . 1 . . O C3 -.1901(10) .4838(8) .3595(5) .045(2) Uani d . 1 . . C O3 -.3029(8) .5454(7) .3635(5) .073(2) Uani d . 1 . . O C4 -.1455(9) .2136(7) .3829(4) .0339(16) Uani d . 1 . . C O4 -.2281(6) .1207(6) .3990(3) .0450(14) Uani d . 1 . . O C5 .4216(8) .4263(7) .1823(4) .0291(15) Uani d . 1 . . C O5 .4946(6) .5173(5) .1794(3) .0405(13) Uani d . 1 . . O C6 .4908(8) .1617(7) .1847(4) .0292(15) Uani d . 1 . . C O6 .6060(6) .0997(6) .1838(3) .0462(14) Uani d . 1 . . O C7 .3244(9) .3250(7) .0684(4) .0335(16) Uani d . 1 . . C O7 .3471(8) .3634(6) .0003(3) .0541(16) Uani d . 1 . . O C8 .1666(8) .0945(7) .1907(4) .0265(14) Uani d . 1 . . C O8 .0338(6) .0492(5) .2426(3) .0371(12) Uani d . 1 . . O C9 -.0559(10) -.0722(8) .2430(5) .050(2) Uani d . 1 . . C H9A -.1004 -.0545 .1932 .060 Uiso calc R 1 . . H H9B .0185 -.1470 .2450 .060 Uiso calc R 1 . . H C10 -.1868(11) -.1067(9) .3133(5) .053(2) Uani d . 1 . . C H10A -.2426 -.1890 .3159 .080 Uiso calc R 1 . . H H10B -.2635 -.0345 .3092 .080 Uiso calc R 1 . . H H10C -.1423 -.1198 .3622 .080 Uiso calc R 1 . . H C11 .2245(8) .0148(7) .1321(4) .0296(15) Uani d . 1 . . C C12 .1800(10) .0474(8) .0582(4) .0400(18) Uani d . 1 . . C H12 .1097 .1188 .0440 .048 Uiso calc R 1 . . H C13 .2379(10) -.0239(9) .0043(5) .046(2) Uani d . 1 . . C H13 .2057 -.0024 -.0464 .055 Uiso calc R 1 . . H C14 .3422(10) -.1259(8) .0244(5) .043(2) Uani d . 1 . . C H14 .3835 -.1736 -.0129 .051 Uiso calc R 1 . . H C15 .3859(10) -.1583(8) .0976(5) .0416(19) Uani d . 1 . . C H15 .4569 -.2293 .1112 .050 Uiso calc R 1 . . H C16 .3277(9) -.0883(7) .1530(4) .0380(17) Uani d . 1 . . C H16 .3586 -.1112 .2041 .046 Uiso calc R 1 . . H C17 .0751(9) .5669(7) .1445(4) .0317(15) Uani d . 1 . . C H17A .1675 .6080 .1570 .038 Uiso calc R 1 . . H H17B .1061 .5649 .0879 .038 Uiso calc R 1 . . H C18 -.0674(11) .6565(7) .1501(5) .047(2) Uani d . 1 . . C H18A -.1542 .6261 .1292 .070 Uiso calc R 1 . . H H18B -.0334 .7481 .1182 .070 Uiso calc R 1 . . H H18C -.1067 .6533 .2066 .070 Uiso calc R 1 . . H C19 -.1352(8) .3378(7) .1830(4) .0313(15) Uani d . 1 . . C H19A -.1599 .2429 .2136 .038 Uiso calc R 1 . . H H19B -.2276 .3895 .2004 .038 Uiso calc R 1 . . H C20 -.1223(9) .3529(8) .0934(4) .0398(18) Uani d . 1 . . C H20A -.2211 .3158 .0852 .060 Uiso calc R 1 . . H H20B -.0287 .3051 .0746 .060 Uiso calc R 1 . . H H20C -.1090 .4475 .0628 .060 Uiso calc R 1 . . H C21 .4149(8) .2711(9) .3697(4) .0372(18) Uani d . 1 . . C H21A .5053 .2165 .3536 .045 Uiso calc R 1 . . H H21B .4463 .3654 .3404 .045 Uiso calc R 1 . . H C22 .3971(11) .2533(10) .4593(4) .056(2) Uani d . 1 . . C H22A .4998 .2780 .4704 .084 Uiso calc R 1 . . H H22B .3680 .1600 .4895 .084 Uiso calc R 1 . . H H22C .3120 .3104 .4760 .084 Uiso calc R 1 . . H C23 .1916(9) .0525(7) .3982(4) .0346(16) Uani d . 1 . . C H23A .1642 .0509 .4556 .042 Uiso calc R 1 . . H H23B .0949 .0188 .3850 .042 Uiso calc R 1 . . H C24 .3292(10) -.0431(8) .3886(5) .049(2) Uani d . 1 . . C H24A .2955 -.1326 .4244 .074 Uiso calc R 1 . . H H24B .4253 -.0124 .4027 .074 Uiso calc R 1 . . H H24C .3548 -.0456 .3326 .074 Uiso calc R 1 . . H loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Re1 .02897(16) .02844(16) .02476(14) .00114(12) -.00087(11) -.01157(11) Re2 .02382(14) .02338(15) .02012(13) .00128(10) -.00226(10) -.00667(10) P1 .0237(8) .0229(8) .0220(7) .0013(7) -.0046(6) -.0066(6) P2 .0268(8) .0310(9) .0214(7) .0013(7) -.0059(7) -.0066(7) C1 .044(4) .036(4) .041(4) .003(4) .004(4) -.016(3) O1 .071(4) .051(4) .060(4) -.024(4) .006(3) -.023(3) C2 .044(4) .044(5) .037(4) -.009(4) .000(3) -.017(3) O2 .079(5) .084(5) .027(3) -.009(4) -.002(3) -.023(3) C3 .039(4) .036(4) .056(5) .004(4) .001(4) -.012(4) O3 .046(4) .050(4) .111(6) .014(3) .012(4) -.021(4) C4 .029(4) .035(4) .032(3) .009(3) .000(3) -.005(3) O4 .037(3) .041(3) .052(3) -.007(3) -.003(3) -.008(3) C5 .022(3) .036(4) .029(3) .005(3) -.006(3) -.008(3) O5 .038(3) .029(3) .051(3) -.007(2) -.005(2) -.009(2) C6 .028(3) .034(4) .025(3) .000(3) -.006(3) -.008(3) O6 .031(3) .042(3) .063(4) .010(3) -.006(3) -.015(3) C7 .037(4) .038(4) .025(3) .008(3) -.003(3) -.009(3) O7 .073(4) .055(4) .026(3) .010(3) -.005(3) -.003(2) C8 .031(3) .025(3) .024(3) .005(3) -.008(3) -.007(2) O8 .037(3) .033(3) .041(3) -.007(2) .003(2) -.016(2) C9 .040(4) .042(5) .069(6) -.018(4) -.001(4) -.023(4) C10 .055(5) .039(5) .060(5) -.010(4) -.002(4) -.011(4) C11 .030(3) .027(3) .033(3) -.001(3) -.002(3) -.013(3) C12 .046(4) .045(5) .040(4) .006(4) -.014(3) -.026(3) C13 .047(5) .060(5) .038(4) -.001(4) -.003(4) -.030(4) C14 .046(5) .038(4) .047(4) .002(4) .010(4) -.030(4) C15 .046(5) .027(4) .054(5) .002(3) .001(4) -.021(3) C16 .046(4) .032(4) .037(4) .004(3) -.006(3) -.012(3) C17 .039(4) .023(3) .031(3) -.002(3) -.011(3) -.001(3) C18 .060(5) .025(4) .054(5) .012(4) -.011(4) -.012(3) C19 .027(3) .035(4) .033(3) .001(3) -.006(3) -.013(3) C20 .037(4) .043(4) .043(4) -.005(4) -.014(3) -.014(3) C21 .028(4) .059(5) .031(3) -.005(4) -.012(3) -.017(3) C22 .051(5) .088(7) .034(4) -.007(5) -.015(4) -.021(4) C23 .041(4) .030(4) .027(3) .002(3) -.005(3) .000(3) C24 .052(5) .040(5) .045(4) .017(4) -.007(4) .001(4) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C .0033 .0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H .0000 .0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O .0106 .0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P .1023 .0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Re Re -1.0185 7.2310 '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_publ_flag C2 Re1 C3 92.9(4) ? C2 Re1 C4 89.8(3) ? C3 Re1 C4 89.9(3) ? C2 Re1 C1 91.8(3) ? C3 Re1 C1 92.8(3) ? C4 Re1 C1 176.8(3) ? C2 Re1 P2 96.0(3) ? C3 Re1 P2 170.9(3) ? C4 Re1 P2 88.3(2) ? C1 Re1 P2 88.7(2) ? C2 Re1 P1 171.2(3) ? C3 Re1 P1 95.9(3) ? C4 Re1 P1 90.6(2) ? C1 Re1 P1 87.4(2) ? P2 Re1 P1 75.23(5) y C6 Re2 C7 93.4(3) ? C6 Re2 C5 91.4(3) ? C7 Re2 C5 89.8(3) ? C6 Re2 C8 88.1(3) ? C7 Re2 C8 90.3(3) ? C5 Re2 C8 179.5(3) ? C6 Re2 P2 95.78(19) ? C7 Re2 P2 169.7(2) ? C5 Re2 P2 85.28(19) ? C8 Re2 P2 94.66(17) ? C6 Re2 P1 171.38(19) ? C7 Re2 P1 95.1(2) ? C5 Re2 P1 87.2(2) ? C8 Re2 P1 93.27(19) ? P2 Re2 P1 75.63(6) y C19 P1 C17 101.3(3) ? C19 P1 Re2 116.5(2) ? C17 P1 Re2 110.2(2) ? C19 P1 Re1 111.1(2) ? C17 P1 Re1 113.8(2) ? Re2 P1 Re1 104.30(6) y C23 P2 C21 101.7(4) ? C23 P2 Re2 116.1(2) ? C21 P2 Re2 110.0(2) ? C23 P2 Re1 111.7(2) ? C21 P2 Re1 113.2(3) ? Re2 P2 Re1 104.40(6) y O1 C1 Re1 179.3(7) ? O2 C2 Re1 178.1(8) ? O3 C3 Re1 176.7(8) ? O4 C4 Re1 178.2(7) ? O5 C5 Re2 178.9(6) ? O6 C6 Re2 179.7(6) ? O7 C7 Re2 176.5(7) ? O8 C8 C11 115.4(6) ? O8 C8 Re2 123.6(5) y C11 C8 Re2 121.0(4) ? C8 O8 C9 121.8(6) ? C10 C9 O8 108.7(7) ? C10 C9 H9A 109.9 ? O8 C9 H9A 109.9 ? C10 C9 H9B 109.9 ? O8 C9 H9B 109.9 ? H9A C9 H9B 108.3 ? C9 C10 H10A 109.5 ? C9 C10 H10B 109.5 ? H10A C10 H10B 109.5 ? C9 C10 H10C 109.5 ? H10A C10 H10C 109.5 ? H10B C10 H10C 109.5 ? C12 C11 C16 120.3(7) ? C12 C11 C8 120.7(7) ? C16 C11 C8 119.0(6) ? C11 C12 C13 120.0(8) ? C11 C12 H12 120.0 ? C13 C12 H12 120.0 ? C14 C13 C12 120.0(8) ? C14 C13 H13 120.0 ? C12 C13 H13 120.0 ? C15 C14 C13 120.1(7) ? C15 C14 H14 120.0 ? C13 C14 H14 120.0 ? C14 C15 C16 120.8(8) ? C14 C15 H15 119.6 ? C16 C15 H15 119.6 ? C11 C16 C15 118.9(7) ? C11 C16 H16 120.6 ? C15 C16 H16 120.6 ? C18 C17 P1 117.0(5) ? C18 C17 H17A 108.1 ? P1 C17 H17A 108.1 ? C18 C17 H17B 108.1 ? P1 C17 H17B 108.1 ? H17A C17 H17B 107.3 ? C17 C18 H18A 109.5 ? C17 C18 H18B 109.5 ? H18A C18 H18B 109.5 ? C17 C18 H18C 109.5 ? H18A C18 H18C 109.5 ? H18B C18 H18C 109.5 ? C20 C19 P1 115.5(5) ? C20 C19 H19A 108.4 ? P1 C19 H19A 108.4 ? C20 C19 H19B 108.4 ? P1 C19 H19B 108.4 ? H19A C19 H19B 107.5 ? C19 C20 H20A 109.5 ? C19 C20 H20B 109.5 ? H20A C20 H20B 109.5 ? C19 C20 H20C 109.5 ? H20A C20 H20C 109.5 ? H20B C20 H20C 109.5 ? C22 C21 P2 116.6(5) ? C22 C21 H21A 108.2 ? P2 C21 H21A 108.2 ? C22 C21 H21B 108.2 ? P2 C21 H21B 108.2 ? H21A C21 H21B 107.3 ? C21 C22 H22A 109.5 ? C21 C22 H22B 109.5 ? H22A C22 H22B 109.5 ? C21 C22 H22C 109.5 ? H22A C22 H22C 109.5 ? H22B C22 H22C 109.5 ? C24 C23 P2 115.5(5) ? C24 C23 H23A 108.4 ? P2 C23 H23A 108.4 ? C24 C23 H23B 108.4 ? P2 C23 H23B 108.4 ? H23A C23 H23B 107.5 ? C23 C24 H24A 109.5 ? C23 C24 H24B 109.5 ? H24A C24 H24B 109.5 ? C23 C24 H24C 109.5 ? H24A C24 H24C 109.5 ? H24B C24 H24C 109.5 ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Re1 C2 . 1.956(8) ? Re1 C3 . 1.958(9) ? Re1 C4 . 1.966(8) ? Re1 C1 . 2.004(8) ? Re1 P2 . 2.5122(19) y Re1 P1 . 2.5154(17) y Re2 C6 . 1.943(7) ? Re2 C7 . 1.962(7) ? Re2 C5 . 1.993(7) ? Re2 C8 . 2.098(7) y Re2 P2 . 2.5023(17) y Re2 P1 . 2.5024(18) y P1 C19 . 1.837(7) ? P1 C17 . 1.861(6) ? P2 C23 . 1.846(7) ? P2 C21 . 1.854(7) ? C1 O1 . 1.136(9) ? C2 O2 . 1.152(9) ? C3 O3 . 1.139(10) ? C4 O4 . 1.145(9) ? C5 O5 . 1.132(8) ? C6 O6 . 1.155(8) ? C7 O7 . 1.130(8) ? C8 O8 . 1.300(8) y C8 C11 . 1.517(9) y O8 C9 . 1.495(9) y C9 C10 . 1.455(11) ? C9 H9A . .990 ? C9 H9B . .990 ? C10 H10A . .980 ? C10 H10B . .980 ? C10 H10C . .980 ? C11 C12 . 1.374(10) ? C11 C16 . 1.382(10) ? C12 C13 . 1.387(10) ? C12 H12 . .950 ? C13 C14 . 1.377(12) ? C13 H13 . .950 ? C14 C15 . 1.358(11) ? C14 H14 . .950 ? C15 C16 . 1.399(10) ? C15 H15 . .950 ? C16 H16 . .950 ? C17 C18 . 1.513(11) ? C17 H17A . .990 ? C17 H17B . .990 ? C18 H18A . .980 ? C18 H18B . .980 ? C18 H18C . .980 ? C19 C20 . 1.529(9) ? C19 H19A . .990 ? C19 H19B . .990 ? C20 H20A . .980 ? C20 H20B . .980 ? C20 H20C . .980 ? C21 C22 . 1.518(9) ? C21 H21A . .990 ? C21 H21B . .990 ? C22 H22A . .980 ? C22 H22B . .980 ? C22 H22C . .980 ? C23 C24 . 1.532(10) ? C23 H23A . .990 ? C23 H23B . .990 ? C24 H24A . .980 ? C24 H24B . .980 ? C24 H24C . .980 ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion C7 Re2 P1 C19 66.8(3) C5 Re2 P1 C19 156.4(3) C8 Re2 P1 C19 -23.8(3) P2 Re2 P1 C19 -117.8(2) C7 Re2 P1 C17 -47.8(3) C5 Re2 P1 C17 41.7(3) C8 Re2 P1 C17 -138.4(3) P2 Re2 P1 C17 127.6(3) C7 Re2 P1 Re1 -170.4(2) C5 Re2 P1 Re1 -80.79(19) C8 Re2 P1 Re1 99.03(17) P2 Re2 P1 Re1 5.05(6) C3 Re1 P1 C19 -56.9(4) C4 Re1 P1 C19 33.1(3) C1 Re1 P1 C19 -149.4(3) P2 Re1 P1 C19 121.2(3) C3 Re1 P1 C17 56.7(4) C4 Re1 P1 C17 146.7(3) C1 Re1 P1 C17 -35.8(3) P2 Re1 P1 C17 -125.2(3) C3 Re1 P1 Re2 176.9(2) C4 Re1 P1 Re2 -93.1(2) C1 Re1 P1 Re2 84.3(2) P2 Re1 P1 Re2 -5.04(6) C6 Re2 P2 C23 -62.5(3) C5 Re2 P2 C23 -153.4(3) C8 Re2 P2 C23 26.1(3) P1 Re2 P2 C23 118.3(3) C6 Re2 P2 C21 52.3(4) C5 Re2 P2 C21 -38.6(4) C8 Re2 P2 C21 140.9(3) P1 Re2 P2 C21 -126.9(3) C6 Re2 P2 Re1 174.2(2) C5 Re2 P2 Re1 83.3(2) C8 Re2 P2 Re1 -97.25(19) P1 Re2 P2 Re1 -5.06(6) C2 Re1 P2 C23 59.5(3) C4 Re1 P2 C23 -30.1(3) C1 Re1 P2 C23 151.2(3) P1 Re1 P2 C23 -121.2(3) C2 Re1 P2 C21 -54.6(3) C4 Re1 P2 C21 -144.2(3) C1 Re1 P2 C21 37.1(3) P1 Re1 P2 C21 124.7(3) C2 Re1 P2 Re2 -174.3(2) C4 Re1 P2 Re2 96.1(2) C1 Re1 P2 Re2 -82.6(2) P1 Re1 P2 Re2 5.04(6) C6 Re2 C8 O8 130.5(6) C7 Re2 C8 O8 -136.2(6) P2 Re2 C8 O8 34.8(6) P1 Re2 C8 O8 -41.0(5) C6 Re2 C8 C11 -49.3(5) C7 Re2 C8 C11 44.0(6) P2 Re2 C8 C11 -145.0(5) P1 Re2 C8 C11 139.2(5) C11 C8 O8 C9 -.8(10) Re2 C8 O8 C9 179.4(6) C8 O8 C9 C10 173.1(7) O8 C8 C11 C12 92.7(8) Re2 C8 C11 C12 -87.5(8) O8 C8 C11 C16 -89.7(8) Re2 C8 C11 C16 90.1(7) C16 C11 C12 C13 .5(11) C8 C11 C12 C13 178.1(7) C11 C12 C13 C14 -1.1(12) C12 C13 C14 C15 1.2(12) C13 C14 C15 C16 -.7(12) C12 C11 C16 C15 .1(11) C8 C11 C16 C15 -177.6(6) C14 C15 C16 C11 .0(12) C19 P1 C17 C18 54.6(7) Re2 P1 C17 C18 178.5(5) Re1 P1 C17 C18 -64.8(6) C17 P1 C19 C20 55.9(6) Re2 P1 C19 C20 -63.7(6) Re1 P1 C19 C20 177.1(5) C23 P2 C21 C22 -56.3(7) Re2 P2 C21 C22 -180.0(6) Re1 P2 C21 C22 63.7(7) C21 P2 C23 C24 -58.7(7) Re2 P2 C23 C24 60.7(6) Re1 P2 C23 C24 -179.8(5)