Supplementary Material (ESI) for Dalton Transactions This journal is © The Royal Society of Chemistry 2002 data_global _journal_coden_Cambridge 186 _publ_requested_journal 'Dalton Transactions' loop_ _publ_author_name 'Greene, T. M.' 'Downs, A.' 'Green, Jennifer C.' 'Morris, Leigh J.' 'Parsons, Simon' 'Teat, Simon J.' _publ_contact_author_name 'Dr T M Greene' _publ_contact_author_address ; School of Chemistry University of Exeter Stocker Road Exeter EX4 4QD UK ; _publ_contact_author_email 'TMGREENE@EX.AC.UK' _publ_section_title ; Structual studies and matrix photochemistry of tetramethyloxorhenium(VI), (CH3)4ReO, and related compounds ; data_me4reo _database_code_CSD 181357 #structure 2 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety Me3Re(O)-O-Re(O)Me3 _chemical_formula_sum 'C6 H18 O3 Re2' _chemical_formula_weight 510.60 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' 'O' 'O' 0.0106 0.0060 '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' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 9.961(4) _cell_length_b 9.966(4) _cell_length_c 10.608(5) _cell_angle_alpha 107.791(18) _cell_angle_beta 110.988(18) _cell_angle_gamma 99.541(17) _cell_volume 890.2(6) _cell_formula_units_Z 3 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used 58 _cell_measurement_theta_min 14 _cell_measurement_theta_max 15 _exptl_crystal_description 'plate developed in (001)' _exptl_crystal_colour Orange _exptl_crystal_size_max 0.39 _exptl_crystal_size_mid 0.16 _exptl_crystal_size_min 0.06 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.857 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 684 _exptl_absorpt_coefficient_mu 20.348 _exptl_absorpt_correction_type 'Optimised numerical' _exptl_absorpt_correction_T_min 0.145 _exptl_absorpt_correction_T_max 0.615 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 150(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type ? _diffrn_measurement_method Omega-theta _diffrn_detector_area_resol_mean ? _diffrn_standards_number 3 _diffrn_standards_interval_count ? _diffrn_standards_interval_time 60 _diffrn_standards_decay_% ? _diffrn_reflns_number 3995 _diffrn_reflns_av_R_equivalents 0.0249 _diffrn_reflns_av_sigmaI/netI 0.0370 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 12 _diffrn_reflns_theta_min 2.68 _diffrn_reflns_theta_max 25.08 _reflns_number_total 3003 _reflns_number_gt 2559 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Stoe DIF4' _computing_cell_refinement 'Stoe DIF4' _computing_data_reduction 'Stoe REDU4' _computing_structure_solution DIRDIF _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics SHELXTL _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0303P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary Patterson _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens 'Difference map' _refine_ls_hydrogen_treatment 'Rotating group' _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.00092(9) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 3003 _refine_ls_number_parameters 161 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0416 _refine_ls_R_factor_gt 0.0299 _refine_ls_wR_factor_ref 0.0603 _refine_ls_wR_factor_gt 0.0572 _refine_ls_goodness_of_fit_ref 1.036 _refine_ls_restrained_S_all 1.036 _refine_ls_shift/su_max 0.038 _refine_ls_shift/su_mean 0.001 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_symetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Re1 Re -0.02518(4) 0.39977(4) 0.31057(5) 0.02176(11) Uani 1 1 d . . . O1 O 0.0371(7) 0.2517(7) 0.2847(8) 0.0344(17) Uani 1 1 d . . . O11 O 0.0000 0.5000 0.5000 0.024(2) Uani 1 2 d S . . C11 C 0.1423(10) 0.5873(10) 0.3487(11) 0.027(2) Uani 1 1 d . . . H11A H 0.2395 0.5960 0.4241 0.041 Uiso 1 1 calc R . . H11B H 0.1138 0.6766 0.3823 0.041 Uiso 1 1 calc R . . H11C H 0.1512 0.5765 0.2573 0.041 Uiso 1 1 calc R . . C12 C -0.1112(12) 0.4107(13) 0.1008(12) 0.041(3) Uani 1 1 d . . . H12A H -0.0384 0.3987 0.0591 0.061 Uiso 1 1 calc R . . H12B H -0.1275 0.5070 0.1110 0.061 Uiso 1 1 calc R . . H12C H -0.2073 0.3315 0.0353 0.061 Uiso 1 1 calc R . . C13 C -0.2618(10) 0.3361(12) 0.2484(13) 0.039(3) Uani 1 1 d . . . H13A H -0.3155 0.2652 0.1456 0.059 Uiso 1 1 calc R . . H13B H -0.2961 0.4239 0.2596 0.059 Uiso 1 1 calc R . . H13C H -0.2829 0.2898 0.3114 0.059 Uiso 1 1 calc R . . Re2 Re 0.28277(4) 0.21724(4) 0.65664(4) 0.02097(11) Uani 1 1 d . . . O2 O 0.1482(7) 0.3000(7) 0.6443(8) 0.0312(16) Uani 1 1 d . . . C21 C 0.2082(10) -0.0014(9) 0.6370(11) 0.026(2) Uani 1 1 d . . . H21A H 0.1996 -0.0001 0.7265 0.039 Uiso 1 1 calc R . . H21B H 0.2810 -0.0526 0.6230 0.039 Uiso 1 1 calc R . . H21C H 0.1092 -0.0535 0.5522 0.039 Uiso 1 1 calc R . . C22 C 0.3773(13) 0.2474(12) 0.8782(13) 0.046(3) Uani 1 1 d . . . H22A H 0.4374 0.3515 0.9395 0.068 Uiso 1 1 calc R . . H22B H 0.4424 0.1844 0.8925 0.068 Uiso 1 1 calc R . . H22C H 0.2963 0.2204 0.9062 0.068 Uiso 1 1 calc R . . C23 C 0.4982(10) 0.3688(10) 0.7331(12) 0.034(3) Uani 1 1 d . . . H23A H 0.4914 0.4279 0.6736 0.051 Uiso 1 1 calc R . . H23B H 0.5700 0.3142 0.7250 0.051 Uiso 1 1 calc R . . H23C H 0.5329 0.4345 0.8362 0.051 Uiso 1 1 calc R . . O23 O 0.2957(6) 0.1352(6) 0.4813(7) 0.0232(14) Uani 1 1 d . . . Re3 Re 0.31222(4) 0.05198(4) 0.30794(5) 0.02493(12) Uani 1 1 d . . . O3 O 0.4398(8) -0.0392(8) 0.3190(9) 0.044(2) Uani 1 1 d . . . C31 C 0.0868(11) -0.0888(10) 0.2232(12) 0.036(3) Uani 1 1 d . . . H31A H 0.0604 -0.1671 0.1279 0.054 Uiso 1 1 calc R . . H31B H 0.0167 -0.0304 0.2108 0.054 Uiso 1 1 calc R . . H31C H 0.0799 -0.1335 0.2920 0.054 Uiso 1 1 calc R . . C32 C 0.2246(13) 0.0305(12) 0.0883(12) 0.045(3) Uani 1 1 d . . . H32A H 0.3080 0.0521 0.0618 0.068 Uiso 1 1 calc R . . H32B H 0.1672 0.1004 0.0769 0.068 Uiso 1 1 calc R . . H32C H 0.1578 -0.0709 0.0239 0.068 Uiso 1 1 calc R . . C33 C 0.4012(10) 0.2740(11) 0.3352(12) 0.036(3) Uani 1 1 d . . . H33A H 0.4812 0.3305 0.4354 0.054 Uiso 1 1 calc R . . H33B H 0.3203 0.3199 0.3183 0.054 Uiso 1 1 calc R . . H33C H 0.4431 0.2737 0.2644 0.054 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 Re1 0.02372(19) 0.0222(2) 0.0229(2) 0.00994(17) 0.01186(17) 0.00967(15) O1 0.045(4) 0.023(3) 0.041(5) 0.009(3) 0.024(4) 0.020(3) O11 0.013(4) 0.038(5) 0.028(6) 0.020(5) 0.008(4) 0.008(4) C11 0.030(5) 0.022(5) 0.025(6) 0.005(4) 0.013(5) 0.005(4) C12 0.051(6) 0.053(7) 0.023(7) 0.018(6) 0.016(5) 0.023(6) C13 0.029(5) 0.044(6) 0.037(7) 0.009(6) 0.016(5) 0.004(5) Re2 0.02249(18) 0.01943(19) 0.0227(2) 0.00857(16) 0.01166(17) 0.00621(14) O2 0.030(3) 0.033(4) 0.031(5) 0.010(3) 0.014(3) 0.015(3) C21 0.027(5) 0.020(5) 0.025(6) 0.008(4) 0.008(4) 0.001(4) C22 0.069(8) 0.043(7) 0.026(7) 0.015(6) 0.024(6) 0.009(6) C23 0.029(5) 0.031(5) 0.035(7) 0.004(5) 0.018(5) 0.001(4) O23 0.021(3) 0.025(3) 0.016(4) 0.007(3) 0.005(3) 0.000(2) Re3 0.0267(2) 0.0313(2) 0.0248(3) 0.01426(19) 0.01447(18) 0.01505(16) O3 0.046(4) 0.059(5) 0.049(6) 0.027(4) 0.029(4) 0.038(4) C31 0.043(6) 0.015(5) 0.036(7) -0.002(5) 0.016(5) -0.002(4) C32 0.065(7) 0.043(7) 0.016(6) 0.008(5) 0.015(6) 0.005(6) C33 0.027(5) 0.043(6) 0.035(7) 0.024(6) 0.010(5) 0.000(4) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; 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 Re1 O1 1.678(6) . ? Re1 O11 1.8514(9) . ? Re1 C11 2.112(8) . ? Re1 C12 2.124(11) . ? Re1 C13 2.128(9) . ? O11 Re1 1.8514(9) 2_566 ? Re2 O2 1.674(6) . ? Re2 O23 1.850(6) . ? Re2 C22 2.095(11) . ? Re2 C21 2.102(8) . ? Re2 C23 2.115(8) . ? O23 Re3 1.851(6) . ? Re3 O3 1.672(6) . ? Re3 C32 2.100(11) . ? Re3 C33 2.131(9) . ? Re3 C31 2.134(9) . ? 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 O1 Re1 O11 115.6(3) . . ? O1 Re1 C11 109.9(3) . . ? O11 Re1 C11 86.5(3) . . ? O1 Re1 C12 104.4(4) . . ? O11 Re1 C12 140.0(3) . . ? C11 Re1 C12 79.4(4) . . ? O1 Re1 C13 111.2(4) . . ? O11 Re1 C13 86.9(3) . . ? C11 Re1 C13 137.0(4) . . ? C12 Re1 C13 78.8(4) . . ? Re1 O11 Re1 180.0 . 2_566 ? O2 Re2 O23 113.9(3) . . ? O2 Re2 C22 103.0(4) . . ? O23 Re2 C22 143.1(4) . . ? O2 Re2 C21 112.1(3) . . ? O23 Re2 C21 86.4(3) . . ? C22 Re2 C21 79.4(4) . . ? O2 Re2 C23 112.4(3) . . ? O23 Re2 C23 86.4(3) . . ? C22 Re2 C23 79.6(4) . . ? C21 Re2 C23 133.9(4) . . ? Re2 O23 Re3 178.8(4) . . ? O3 Re3 O23 114.8(3) . . ? O3 Re3 C32 103.4(4) . . ? O23 Re3 C32 141.8(4) . . ? O3 Re3 C33 112.3(4) . . ? O23 Re3 C33 86.0(3) . . ? C32 Re3 C33 79.0(4) . . ? O3 Re3 C31 113.5(4) . . ? O23 Re3 C31 86.2(3) . . ? C32 Re3 C31 79.0(4) . . ? C33 Re3 C31 132.5(4) . . ? _diffrn_measured_fraction_theta_max 0.951 _diffrn_reflns_theta_full 25.08 _diffrn_measured_fraction_theta_full 0.951 _refine_diff_density_max 1.374 _refine_diff_density_min -1.645 _refine_diff_density_rms 0.217 data_oreme4 _database_code_CSD 181358 # structure 1 _audit_creation_date 99-05-06 _audit_creation_method CRYSTALS_ver_07-07-97 # OReMe4 in C2/c twinned _diffrn_radiation_monochromator Silicon _diffrn_measurement_device_type 'Bruker SMART, St. 9.8 Daresbury' _computing_data_collection SMART _computing_data_reduction SAINT _computing_cell_refinement 'LSCELL (Clegg)' _computing_structure_refinement ; CRYSTALS Issue 10 (Watkin, Prout, Carruthers & Betteridge, 1996) ; _computing_publication_material ; CRYSTALS Issue 10 (Watkin, Prout, Carruthers & Betteridge, 1996) ; _computing_molecular_graphics ; CAMERON (Watkin, Prout & Pearce, 1996) ; _computing_structure_solution Shelxs97 _chemical_name_systematic ; Tetramethyloxorhenium ; _chemical_melting_point 'not measured' _refine_ls_matrix_type full _atom_sites_solution_primary Patterson _atom_sites_solution_hydrogens geometric _refine_ls_hydrogen_treatment noref _cell_length_a 10.922(4) _cell_angle_alpha 90 _cell_length_b 5.5519(18) _cell_angle_beta 90.090(7) _cell_length_c 10.894(4) _cell_angle_gamma 90 _cell_volume 660.6 _symmetry_cell_setting 'Monoclinic twin' _symmetry_space_group_name_H-M C2/c loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,-y,-z' 'x+1/2,y+1/2,z' '-x+1/2,-y+1/2,-z' '-x,y,-z+1/2' 'x,-y,z+1/2' '-x+1/2,y+1/2,-z+1/2' 'x+1/2,-y+1/2,z+1/2' loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c _atom_type_scat_source 'C ' 0.0029 0.0015 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512 0.2156 'International_Tables_Vol_IV_Table_2.2B' 'H ' 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998 0.0030 'International_Tables_Vol_IV_Table_2.2B' 'O ' 0.0101 0.0057 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089 0.2508 'International_Tables_Vol_IV_Table_2.2B' 'Re ' -0.7969 6.8850 28.7621 1.6719 15.7189 9.0923 14.5564 0.3505 5.4417 52.0862 10.4720 'International_Tables_Vol_IV_Table_2.2B' _chemical_formula_sum 'C4 H12 Re1 O1 ' _chemical_formula_moiety 'O=ReMe4' _chemical_compound_source ; ? ; _chemical_formula_weight 262.34 _cell_measurement_reflns_used 5979 _cell_measurement_theta_min 5.39 _cell_measurement_theta_max 29.22 _cell_measurement_temperature 150 _cell_formula_units_Z 4 _exptl_crystal_description ' needle ' _exptl_crystal_colour 'Red' _exptl_crystal_size_min 0.02 _exptl_crystal_size_mid 0.02 _exptl_crystal_size_max 0.14 _exptl_crystal_density_diffrn 2.64 _exptl_crystal_density_meas 'not measured' _exptl_crystal_F_000 473.49 _exptl_absorpt_coefficient_mu 16.82 _exptl_absorpt_correction_type SADABS _exptl_absorpt_correction_T_min 0.500 _exptl_absorpt_correction_T_max 0.802 _diffrn_standards_interval_time 0 _diffrn_standards_interval_count 0 _diffrn_standards_number 0 _diffrn_standards_decay_% 0.00 _diffrn_ambient_temperature 150 _diffrn_reflns_number 9196 _reflns_number_total 1496 _diffrn_reflns_av_R_equivalents 0.078 _reflns_number_observed 1298 _diffrn_reflns_theta_min 5 _diffrn_reflns_theta_max 30 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 7 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 15 _reflns_limit_h_min -15 _reflns_limit_h_max 15 _reflns_limit_k_min 0 _reflns_limit_k_max 7 _reflns_limit_l_min 0 _reflns_limit_l_max 15 _reflns_observed_criterion >2.00sigma(I) _refine_diff_density_min -2.00 _refine_diff_density_max 1.63 _refine_ls_number_reflns 1298 _refine_ls_number_parameters 30 _refine_ls_R_factor_obs 0.0379 _refine_ls_wR_factor_obs 0.0375 _refine_ls_goodness_of_fit_obs 1.0277 _refine_ls_shift/su_max 0.000781 _refine_ls_structure_factor_coef F _refine_ls_weighting_scheme 'Chebychev 3-term polynomial' _refine_ls_weighting_details ; Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979) 1.31 0.624 1.14 ; _diffrn_radiation_type 'Synchrotron' _diffrn_radiation_wavelength 0.68860 _diffrn_measurement_method Omega # Uequiv = arithmetic mean of Ui # i.e. Ueqiv = (U1+U2+U3)/3 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_occupancy _atom_site_thermal_displace_type Re1 0.0000 0.38654(2) 0.2500 0.0183 1.0000 Uani O1 0.0000 0.6898(7) 0.2500 0.0334 1.0000 Uani C1 0.0937(9) 0.2407(7) 0.4028(8) 0.0286 1.0000 Uani C2 0.1510(8) 0.2401(7) 0.1559(9) 0.0314 1.0000 Uani H11 0.0917 0.0608 0.3983 0.0600 1.0000 Uiso H12 0.0543 0.2960 0.4800 0.0600 1.0000 Uiso H13 0.1814 0.2960 0.4012 0.0600 1.0000 Uiso H21 0.1469 0.0602 0.1593 0.0600 1.0000 Uiso H22 0.2287 0.2952 0.1969 0.0600 1.0000 Uiso H23 0.1502 0.2952 0.0692 0.0600 1.0000 Uiso 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 Re1 0.02061(18) 0.01394(18) 0.02044(17) 0.0000 0.00053 (11)0.0000 O1 0.049(3) 0.0122(18) 0.039(2) 0.0000 -0.000(2) 0.0000 C1 0.031(3) 0.027(3) 0.028(3) 0.0017(11) -0.000(3) -0.0001(11) C2 0.027(3) 0.028(3) 0.038(4) -0.0009(12) 0.012(3) 0.0004(12) _refine_ls_extinction_method 'None' loop_ _geom_bond_atom_site_label_1 _geom_bond_site_symmetry_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Re1 . O1 . 1.684(4) yes Re1 . C1 . 2.113(8) yes Re1 . C2 . 2.107(8) yes C1 . H11 . 1.000(4) no C1 . H12 . 0.994(9) no C1 . H13 . 1.006(9) no C2 . H21 . 1.000(4) no C2 . H22 . 1.01(1) no C2 . H23 . 0.99(1) no loop_ _geom_angle_atom_site_label_1 _geom_angle_site_symmetry_1 _geom_angle_atom_site_label_2 _geom_angle_site_symmetry_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag O1 . Re1 . C1 . 112.53(14) yes C1 . Re1 . C1 5_555 134.9(3) yes O1 . Re1 . C2 . 112.70(14) yes C1 . Re1 . C2 . 81.8(5) yes C1 5_555 Re1 . C2 . 81.2(5) yes C2 . Re1 . C2 5_555 134.6(3) yes Re1 . C1 . H11 . 109.5(6) no Re1 . C1 . H12 . 109.8(5) no H11 . C1 . H12 . 109.9(7) no Re1 . C1 . H13 . 109.2(5) no H11 . C1 . H13 . 109.0(7) no H12 . C1 . H13 . 109.4(7) no Re1 . C2 . H21 . 109.4(6) no Re1 . C2 . H22 . 109.1(6) no H21 . C2 . H22 . 108.9(8) no Re1 . C2 . H23 . 109.8(6) no H21 . C2 . H23 . 110.1(8) no H22 . C2 . H23 . 109.5(7) no