data_8911sadabs _publ_requested_journal 'test 8911' _publ_section_title ; ? Title ; loop_ _publ_author_name _publ_author_address 'Stephan Rummelt ' ; Max-Planck-Institut f\"ur Kohlenforschung Kaiser-Wilhelm-Platz 1 45470 M\"ulheim an der Ruhr Germany ; 'Alois F\"urstner' ; Max-Planck-Institut f\"ur Kohlenforschung Kaiser-Wilhelm-Platz 1 45470 M\"ulheim an der Ruhr Germany ; 'Heike Schucht' ; Max-Planck-Institut f\"ur Kohlenforschung Kaiser-Wilhelm-Platz 1 45470 M\"ulheim an der Ruhr Germany ; 'Christian W. Lehmann' ; Max-Planck-Institut f\"ur Kohlenforschung Kaiser-Wilhelm-Platz 1 45470 M\"ulheim an der Ruhr Germany ; _audit_block_code RUT-RA-475 _symmetry_cell_setting MONOCLINIC _symmetry_space_group_name_H-M 'p 21/c' _symmetry_space_group_name_Hall '-p 2ybc' _symmetry_Int_Tables_number 14 _audit_creation_date 2014-08-01 _audit_creation_method ; Olex2 1.2 (compiled 2014.03.20 svn.r2914 for OlexSys, GUI svn.r4816) ; _shelxl_version_number 2014-3 _publ_contact_author_address ? _publ_contact_author_email ? _publ_contact_author_phone ? _publ_section_references ; Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H. (2009), J. Appl. Cryst. 42, 339-341. Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122. ; _chemical_name_systematic ; Title ; _chemical_compound_source tetrahydrofuran _chemical_formula_moiety 'C28 H47 Cl O2 Ru' _chemical_formula_sum 'C28 H47 Cl O2 Ru' _chemical_formula_weight 552.17 _chemical_melting_point ? 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' Cl Cl 0.1484 0.1585 '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' Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _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. ; _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 21/c' _space_group_name_Hall '-P 2ybc' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 13.386(3) _cell_length_b 13.440(3) _cell_length_c 15.706(3) _cell_angle_alpha 90 _cell_angle_beta 108.401(4) _cell_angle_gamma 90 _cell_volume 2681.2(9) _cell_formula_units_Z 4 _cell_measurement_reflns_used 9914 _cell_measurement_temperature 100 _cell_measurement_theta_max 30.8484 _cell_measurement_theta_min 2.6974 _shelx_estimated_absorpt_T_max ? _shelx_estimated_absorpt_T_min ? _exptl_absorpt_coefficient_mu 0.706 _exptl_absorpt_correction_T_max 0.98605 _exptl_absorpt_correction_T_min 0.93059 _exptl_absorpt_correction_type gaussian _exptl_absorpt_process_details 'SADABS (Bruker AXS, 2012)' _exptl_crystal_colour orange _exptl_crystal_colour_primary red _exptl_crystal_density_diffrn 1.368 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist 0.00 -1.00 0.00 0.0100 0.00 1.00 0.00 0.0100 -2.00 1.00 0.00 0.0350 2.00 -1.00 0.00 0.0350 -1.00 1.00 -1.00 0.0300 -1.00 -1.00 3.00 0.0500 0.00 1.00 -3.00 0.0500 _exptl_crystal_description prism _exptl_crystal_F_000 1168 _exptl_crystal_size_max 0.10 _exptl_crystal_size_mid 0.07 _exptl_crystal_size_min 0.02 _exptl_special_details ; Crystal mounted on a MiTeGen loop using Perfluoropolyether PFO-XR75 ; _exptl_transmission_factor_max ? _exptl_transmission_factor_min ? _diffrn_reflns_av_R_equivalents 0.0666 _diffrn_reflns_av_unetI/netI 0.0414 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.988 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_number 61963 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.988 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 31.059 _diffrn_reflns_theta_min 2.313 _diffrn_ambient_temperature 100 _diffrn_detector_area_resol_mean 66.67 _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.988 _diffrn_measurement_device_type 'Bruker-AXS Kappa Mach3 APEX-II' _diffrn_measurement_method 'CCD \f- and \w-scans' _diffrn_radiation_type Mo-K\a _diffrn_radiation_wavelength 0.71073 _diffrn_source 1\mS _diffrn_standards_number 0 _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_full . _reflns_Friedel_fraction_max . _reflns_number_gt 6739 _reflns_number_total 8501 _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _reflns_threshold_expression 'I > 2\s(I)' _computing_cell_refinement 'SAINT software (Bruker AXS, 2004)' _computing_data_collection 'APEX2 (Bruker AXS, 2005-2013)' _computing_data_reduction 'SAINT software (Bruker AXS, 2004)' _computing_molecular_graphics 'DIAMOND (Crystal Impact GbR, 1997-2012)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL (G. M. Sheldrick, 2013)' _computing_structure_solution 'SHELXS (G. M. Sheldrick, 2013)' _refine_diff_density_max 0.760 _refine_diff_density_min -1.164 _refine_diff_density_rms 0.091 _refine_ls_extinction_coef . _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.026 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 301 _refine_ls_number_reflns 8501 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0499 _refine_ls_R_factor_gt 0.0314 _refine_ls_restrained_S_all 1.026 _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^)+(0.0241P)^2^+2.2243P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0626 _refine_ls_wR_factor_ref 0.0685 _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. The minimum and maximum estimated transmissions from the multi-scan scaling are 0.8881 and 1.0000 (SADABS). Highest peak ? Deepest hole ? ; _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups At 1.5 times of: All C(H,H,H) groups, All O(H) groups 2. Others Fixed Sof: C12A(0.5) H12A(0.5) H12B(0.5) H12C(0.5) C13B(0.5) H13A(0.5) H13B(0.5) H13C(0.5) C14B(0.5) H14A(0.5) H14B(0.5) H14C(0.5) C12B(0.5) H12D(0.5) H12E(0.5) H12F(0.5) C13A(0.5) H13D(0.5) H13E(0.5) H13F(0.5) C14A(0.5) H14D(0.5) H14E(0.5) H14F(0.5) 3.a Secondary CH2 refined with riding coordinates: C10(H10A,H10B), C22(H22A,H22B), C23(H23A,H23B), C24(H24A,H24B), C25(H25A, H25B), C26(H26A,H26B) 3.b Aromatic/amide H refined with riding coordinates: C5(H5) 3.c Idealised Me refined as rotating group: C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C12A(H12A,H12B,H12C), C13B(H13A,H13B,H13C), C14B(H14A,H14B,H14C), C16(H16A,H16B,H16C), C17(H17A,H17B, H17C), C18(H18A,H18B,H18C), C19(H19A,H19B,H19C), C28(H28A,H28B,H28C), C12B(H12D,H12E,H12F), C13A(H13D,H13E,H13F), C14A(H14D,H14E,H14F) 3.d Idealised tetrahedral OH refined as rotating group: O2(H2) ; _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap 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 _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group C1 C 0.13810(13) 0.79762(14) 0.48353(11) 0.0109(3) Uani 1 1 d . . . . . C2 C 0.12464(14) 0.86224(13) 0.40634(11) 0.0114(3) Uani 1 1 d . . . . . C3 C 0.20885(14) 0.93654(13) 0.42947(11) 0.0118(3) Uani 1 1 d . . . . . C4 C 0.26114(14) 0.92562(14) 0.52502(11) 0.0121(3) Uani 1 1 d . . . . . C5 C 0.22162(14) 0.84016(13) 0.55649(11) 0.0117(3) Uani 1 1 d . . . . . H5 H 0.2462 0.8150 0.6160 0.014 Uiso 1 1 calc R . . . . C6 C 0.08331(14) 0.70257(14) 0.50004(11) 0.0138(3) Uani 1 1 d . . . . . C7 C 0.00854(16) 0.72835(15) 0.55375(13) 0.0200(4) Uani 1 1 d . . . . . H7A H 0.0489 0.7579 0.6114 0.030 Uiso 1 1 calc GR . . . . H7B H -0.0263 0.6677 0.5644 0.030 Uiso 1 1 calc GR . . . . H7C H -0.0446 0.7759 0.5197 0.030 Uiso 1 1 calc GR . . . . C8 C 0.02513(17) 0.64513(15) 0.41478(13) 0.0203(4) Uani 1 1 d . . . . . H8A H -0.0369 0.6830 0.3800 0.031 Uiso 1 1 calc GR . . . . H8B H 0.0029 0.5803 0.4310 0.031 Uiso 1 1 calc GR . . . . H8C H 0.0721 0.6352 0.3786 0.031 Uiso 1 1 calc GR . . . . C9 C 0.16634(16) 0.63068(15) 0.55871(13) 0.0199(4) Uani 1 1 d . . . . . H9A H 0.2169 0.6132 0.5276 0.030 Uiso 1 1 calc GR . . . . H9B H 0.1315 0.5702 0.5699 0.030 Uiso 1 1 calc GR . . . . H9C H 0.2035 0.6629 0.6159 0.030 Uiso 1 1 calc GR . . . . C10 C 0.04074(14) 0.85287(14) 0.31590(11) 0.0137(3) Uani 1 1 d . . . . . H10A H 0.0228 0.7816 0.3049 0.016 Uiso 1 1 calc R . . . . H10B H 0.0713 0.8751 0.2693 0.016 Uiso 1 1 calc R . . . . C11 C -0.06398(15) 0.91225(16) 0.30307(12) 0.0180(4) Uani 1 1 d . . . . . C12A C -0.1420(4) 0.8527(4) 0.3372(4) 0.0315(11) Uiso 0.5 1 d . . P A 2 H12A H -0.1116 0.8419 0.4020 0.047 Uiso 0.5 1 calc GR . P A 2 H12B H -0.1561 0.7884 0.3064 0.047 Uiso 0.5 1 calc GR . P A 2 H12C H -0.2079 0.8900 0.3250 0.047 Uiso 0.5 1 calc GR . P A 2 C13B C -0.1351(5) 0.8992(4) 0.2094(4) 0.0279(13) Uiso 0.5 1 d . . P A 2 H13A H -0.1999 0.9375 0.2010 0.042 Uiso 0.5 1 calc GR . P A 2 H13B H -0.1526 0.8286 0.1982 0.042 Uiso 0.5 1 calc GR . P A 2 H13C H -0.0998 0.9230 0.1673 0.042 Uiso 0.5 1 calc GR . P A 2 C14B C -0.0441(4) 1.0293(3) 0.3230(3) 0.0158(9) Uiso 0.5 1 d . . P A 2 H14A H -0.1116 1.0629 0.3136 0.024 Uiso 0.5 1 calc GR . P A 2 H14B H -0.0091 1.0574 0.2822 0.024 Uiso 0.5 1 calc GR . P A 2 H14C H 0.0006 1.0389 0.3852 0.024 Uiso 0.5 1 calc GR . P A 2 C15 C 0.24385(15) 1.01956(14) 0.37689(12) 0.0144(3) Uani 1 1 d . . . . . C16 C 0.19647(18) 1.01324(16) 0.27426(12) 0.0216(4) Uani 1 1 d . . . . . H16A H 0.2132 0.9484 0.2537 0.032 Uiso 1 1 calc GR . . . . H16B H 0.2261 1.0662 0.2466 0.032 Uiso 1 1 calc GR . . . . H16C H 0.1199 1.0211 0.2570 0.032 Uiso 1 1 calc GR . . . . C17 C 0.21630(16) 1.12156(15) 0.40793(13) 0.0192(4) Uani 1 1 d . . . . . H17A H 0.1396 1.1291 0.3897 0.029 Uiso 1 1 calc GR . . . . H17B H 0.2463 1.1744 0.3805 0.029 Uiso 1 1 calc GR . . . . H17C H 0.2454 1.1262 0.4734 0.029 Uiso 1 1 calc GR . . . . C18 C 0.36477(16) 1.01480(16) 0.39649(14) 0.0206(4) Uani 1 1 d . . . . . H18A H 0.4000 1.0194 0.4613 0.031 Uiso 1 1 calc GR . . . . H18B H 0.3873 1.0703 0.3664 0.031 Uiso 1 1 calc GR . . . . H18C H 0.3835 0.9517 0.3741 0.031 Uiso 1 1 calc GR . . . . C19 C 0.38394(16) 0.96998(16) 0.66541(12) 0.0204(4) Uani 1 1 d . . . . . H19A H 0.4297 0.9122 0.6690 0.031 Uiso 1 1 calc GR . . . . H19B H 0.3319 0.9548 0.6956 0.031 Uiso 1 1 calc GR . . . . H19C H 0.4265 1.0271 0.6947 0.031 Uiso 1 1 calc GR . . . . C20 C 0.42713(14) 0.71765(13) 0.48111(11) 0.0121(3) Uani 1 1 d . . . . . C21 C 0.50025(14) 0.67034(14) 0.43743(11) 0.0114(3) Uani 1 1 d . . . . . C22 C 0.58669(15) 0.61576(15) 0.51035(12) 0.0162(4) Uani 1 1 d . . . . . H22A H 0.6222 0.6632 0.5586 0.019 Uiso 1 1 calc R . . . . H22B H 0.5543 0.5629 0.5369 0.019 Uiso 1 1 calc R . . . . C23 C 0.66800(16) 0.56946(16) 0.47274(13) 0.0207(4) Uani 1 1 d . . . . . H23A H 0.7239 0.5373 0.5220 0.025 Uiso 1 1 calc R . . . . H23B H 0.6338 0.5176 0.4284 0.025 Uiso 1 1 calc R . . . . C24 C 0.71685(16) 0.64743(17) 0.42815(14) 0.0235(4) Uani 1 1 d . . . . . H24A H 0.7662 0.6150 0.4013 0.028 Uiso 1 1 calc R . . . . H24B H 0.7573 0.6956 0.4737 0.028 Uiso 1 1 calc R . . . . C25 C 0.63161(16) 0.70245(17) 0.35516(13) 0.0215(4) Uani 1 1 d . . . . . H25A H 0.5965 0.6554 0.3064 0.026 Uiso 1 1 calc R . . . . H25B H 0.6647 0.7554 0.3294 0.026 Uiso 1 1 calc R . . . . C26 C 0.54912(15) 0.74896(15) 0.39225(12) 0.0150(3) Uani 1 1 d . . . . . H26A H 0.5827 0.8013 0.4363 0.018 Uiso 1 1 calc R . . . . H26B H 0.4931 0.7805 0.3427 0.018 Uiso 1 1 calc R . . . . C27 C 0.40756(15) 0.73027(14) 0.55396(12) 0.0148(4) Uani 1 1 d . . . . . C28 C 0.44154(17) 0.70784(17) 0.65152(12) 0.0223(4) Uani 1 1 d . . . . . H28A H 0.4477 0.6357 0.6605 0.033 Uiso 1 1 calc GR . . . . H28B H 0.3894 0.7339 0.6777 0.033 Uiso 1 1 calc GR . . . . H28C H 0.5099 0.7391 0.6808 0.033 Uiso 1 1 calc GR . . . . Cl1 Cl 0.25860(4) 0.74490(4) 0.29871(3) 0.01603(9) Uani 1 1 d . . . . . O1 O 0.33071(11) 0.99335(10) 0.57286(8) 0.0160(3) Uani 1 1 d . . . . . O2 O 0.44517(10) 0.59720(10) 0.37317(9) 0.0159(3) Uani 1 1 d . . . . . H2 H 0.3868 0.6204 0.3419 0.024 Uiso 1 1 calc GR . . . . Ru1 Ru 0.28537(2) 0.79366(2) 0.45328(2) 0.00958(4) Uani 1 1 d . . . . . C12B C -0.1210(3) 0.8802(3) 0.3688(3) 0.0192(8) Uiso 0.5 1 d . . P A 1 H12D H -0.0757 0.8928 0.4304 0.029 Uiso 0.5 1 calc GR . P A 1 H12E H -0.1374 0.8091 0.3612 0.029 Uiso 0.5 1 calc GR . P A 1 H12F H -0.1864 0.9183 0.3571 0.029 Uiso 0.5 1 calc GR . P A 1 C13A C -0.1184(4) 0.9187(3) 0.1992(3) 0.0126(8) Uiso 0.5 1 d . . P A 1 H13D H -0.1853 0.9545 0.1866 0.019 Uiso 0.5 1 calc GR . P A 1 H13E H -0.1318 0.8514 0.1741 0.019 Uiso 0.5 1 calc GR . P A 1 H13F H -0.0723 0.9542 0.1719 0.019 Uiso 0.5 1 calc GR . P A 1 C14A C -0.0498(4) 1.0107(4) 0.3420(4) 0.0284(12) Uiso 0.5 1 d . . P A 1 H14D H -0.0059 1.0503 0.3153 0.043 Uiso 0.5 1 calc GR . P A 1 H14E H -0.0153 1.0057 0.4069 0.043 Uiso 0.5 1 calc GR . P A 1 H14F H -0.1185 1.0428 0.3301 0.043 Uiso 0.5 1 calc GR . P A 1 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 C1 0.0104(8) 0.0137(8) 0.0100(7) -0.0012(6) 0.0051(6) 0.0023(7) C2 0.0091(8) 0.0150(8) 0.0111(7) -0.0010(6) 0.0046(6) 0.0032(7) C3 0.0126(8) 0.0145(8) 0.0094(7) 0.0004(6) 0.0049(6) 0.0024(7) C4 0.0121(8) 0.0149(8) 0.0096(7) -0.0020(6) 0.0038(6) 0.0010(7) C5 0.0116(8) 0.0150(8) 0.0095(7) -0.0010(6) 0.0048(6) 0.0014(7) C6 0.0146(8) 0.0138(8) 0.0135(7) -0.0008(7) 0.0050(6) -0.0023(7) C7 0.0198(10) 0.0236(11) 0.0210(9) 0.0014(7) 0.0128(8) -0.0021(8) C8 0.0231(11) 0.0170(9) 0.0193(9) -0.0028(7) 0.0044(8) -0.0051(8) C9 0.0219(10) 0.0147(9) 0.0213(9) 0.0028(7) 0.0044(8) 0.0002(8) C10 0.0096(8) 0.0206(9) 0.0102(7) -0.0002(7) 0.0022(6) 0.0023(7) C11 0.0108(9) 0.0264(10) 0.0163(8) 0.0029(7) 0.0038(7) 0.0048(8) C15 0.0158(9) 0.0154(9) 0.0131(8) 0.0023(7) 0.0060(7) 0.0003(7) C16 0.0314(12) 0.0218(10) 0.0130(8) 0.0039(7) 0.0089(8) -0.0008(9) C17 0.0192(10) 0.0166(9) 0.0208(9) 0.0004(7) 0.0051(8) 0.0000(8) C18 0.0184(10) 0.0221(10) 0.0253(10) 0.0053(8) 0.0126(8) -0.0004(8) C19 0.0175(10) 0.0246(11) 0.0140(8) -0.0032(7) -0.0022(7) -0.0011(8) C20 0.0097(8) 0.0137(9) 0.0116(7) 0.0004(6) 0.0014(6) 0.0020(7) C21 0.0102(8) 0.0131(8) 0.0101(7) -0.0017(6) 0.0021(6) 0.0017(7) C22 0.0151(9) 0.0187(9) 0.0124(8) -0.0012(7) 0.0007(7) 0.0049(7) C23 0.0154(10) 0.0244(11) 0.0173(9) -0.0061(8) -0.0019(7) 0.0084(8) C24 0.0106(9) 0.0359(12) 0.0230(9) -0.0083(9) 0.0038(7) 0.0051(9) C25 0.0148(9) 0.0327(11) 0.0189(9) -0.0016(8) 0.0081(7) 0.0012(9) C26 0.0116(9) 0.0195(9) 0.0145(8) -0.0005(7) 0.0050(7) 0.0001(7) C27 0.0123(9) 0.0195(9) 0.0109(7) 0.0011(6) 0.0013(6) 0.0040(7) C28 0.0249(10) 0.0315(11) 0.0086(7) 0.0021(8) 0.0028(7) 0.0092(9) Cl1 0.0149(2) 0.0249(2) 0.00787(16) -0.00119(16) 0.00289(15) 0.00603(18) O1 0.0164(7) 0.0189(7) 0.0114(6) -0.0021(5) 0.0025(5) -0.0049(5) O2 0.0117(6) 0.0174(7) 0.0150(6) -0.0047(5) -0.0010(5) 0.0017(5) Ru1 0.00853(7) 0.01422(7) 0.00644(6) 0.00022(5) 0.00300(4) 0.00154(6)