#------------------------------------------------------------------------------ #$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $ #$Revision: 14 $ #$URL: svn://www.crystallography.net/cod/cif/4/4060158.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_4060158 _journal_name_full 'Organometallics' _journal_year 2005 _chemical_name_systematic ; Ir4(CO)6(mu-CO){mu3-kappa2-Ph2P(o-C6H4)P(eta1-o-C6H4)}(mu3-eta2:eta2:eta2-C60) ; _chemical_formula_moiety Ir4(CO)6(mu-CO){mu3-kappa2-Ph2P(o-C6H4)P(eta1-o-C6H4)} _chemical_formula_sum 'C92 H18 Ir4 O7 P2 S2' _chemical_formula_weight 2129.92 _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M 'P-1' 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' _cell_length_a 16.301(3) _cell_length_b 24.121(5) _cell_length_c 17.570(4) _cell_angle_alpha 90.00 _cell_angle_beta 107.518(4) _cell_angle_gamma 90.00 _cell_volume 6588(2) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min 1.49 _cell_measurement_theta_max 25.54 _exptl_crystal_density_diffrn 2.147 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3984 _exptl_absorpt_coefficient_mu 8.232 _diffrn_ambient_temperature 293(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 Simens SMART diffractometer/CCD area detector _diffrn_reflns_number 34548 _diffrn_reflns_av_R_equivalents 0.0788 _diffrn_reflns_av_sigmaI/netI 0.0828 _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_k_min -28 _diffrn_reflns_limit_k_max 29 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_theta_min 1.49 _diffrn_reflns_theta_max 25.54 _reflns_number_total 12285 _reflns_number_gt 9382 _reflns_threshold_expression >2sigma(I) _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^)+(0.0920P)^2^+241.2740P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 12285 _refine_ls_number_parameters 964 _refine_ls_number_restraints 99 _refine_ls_R_factor_all 0.1103 _refine_ls_R_factor_gt 0.0813 _refine_ls_wR_factor_ref 0.2130 _refine_ls_wR_factor_gt 0.2001 _refine_ls_goodness_of_fit_ref 1.141 _refine_ls_restrained_S_all 1.140 _refine_ls_shift/su_max 0.010 _refine_ls_shift/su_mean 0.000 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 Ir1 Ir -0.27783(5) -0.15103(3) 0.83422(4) 0.02020(19) Uani 1 1 d . . . Ir2 Ir -0.39684(5) -0.08344(3) 0.73061(4) 0.01825(18) Uani 1 1 d . . . Ir3 Ir -0.38649(5) -0.08506(3) 0.89757(4) 0.02046(19) Uani 1 1 d . . . Ir4 Ir -0.41959(5) 0.01218(3) 0.81124(4) 0.02128(19) Uani 1 1 d . . . P1 P -0.4321(3) 0.0826(2) 0.7184(3) 0.0249(11) Uani 1 1 d . . . P2 P -0.3023(3) -0.0129(2) 0.7750(3) 0.0219(10) Uani 1 1 d . . . C1A C -0.1989(12) -0.2085(7) 0.8577(12) 0.024(4) Uani 1 1 d . . . O1A O -0.1523(10) -0.2430(7) 0.8709(10) 0.045(4) Uani 1 1 d . . . C1B C -0.2897(11) -0.1308(8) 0.7211(12) 0.022(4) Uani 1 1 d . . . O1B O -0.2570(10) -0.1394(7) 0.6736(9) 0.040(4) Uani 1 1 d . . . C2A C -0.4466(11) -0.0613(7) 0.6220(11) 0.020(4) Uani 1 1 d U . . O2A O -0.4764(12) -0.0493(7) 0.5595(10) 0.055(5) Uani 1 1 d . . . C3A C -0.4358(15) -0.0673(9) 0.9765(14) 0.037(5) Uani 1 1 d . . . O3A O -0.4626(13) -0.0592(8) 1.0295(11) 0.061(5) Uani 1 1 d . . . C3B C -0.2796(14) -0.0597(9) 0.9604(11) 0.029(5) Uani 1 1 d . . . O3B O -0.2194(10) -0.0400(6) 1.0072(9) 0.036(4) Uani 1 1 d . . . C4A C -0.5388(14) 0.0023(8) 0.8086(12) 0.026(4) Uani 1 1 d . . . O4A O -0.6076(11) -0.0009(7) 0.8074(11) 0.049(4) Uani 1 1 d . . . C4B C -0.3800(15) 0.0596(9) 0.9028(14) 0.037(5) Uani 1 1 d . . . O4B O -0.3552(15) 0.0851(8) 0.9569(11) 0.067(6) Uani 1 1 d . . . C101 C -0.5347(12) 0.0904(8) 0.6389(11) 0.026(4) Uani 1 1 d . . . C102 C -0.5907(14) 0.0449(11) 0.6207(13) 0.040(6) Uani 1 1 d . . . H102 H -0.5786 0.0125 0.6507 0.048 Uiso 1 1 calc R . . C103 C -0.6650(17) 0.0499(12) 0.5561(14) 0.050(7) Uani 1 1 d . . . H103 H -0.7025 0.0200 0.5420 0.060 Uiso 1 1 calc R . . C104 C -0.6840(15) 0.0979(13) 0.5134(13) 0.048(7) Uani 1 1 d . . . H104 H -0.7334 0.1000 0.4699 0.058 Uiso 1 1 calc R . . C105 C -0.6304(17) 0.1432(11) 0.5341(14) 0.048(7) Uani 1 1 d . . . H105 H -0.6445 0.1764 0.5065 0.058 Uiso 1 1 calc R . . C106 C -0.5554(15) 0.1384(9) 0.5967(13) 0.039(6) Uani 1 1 d . . . H106 H -0.5183 0.1685 0.6102 0.046 Uiso 1 1 calc R . . C201 C -0.4119(12) 0.1502(7) 0.7633(12) 0.025(4) Uani 1 1 d . . . C202 C -0.4770(17) 0.1746(11) 0.7903(15) 0.048(6) Uani 1 1 d . . . H202 H -0.5301 0.1576 0.7825 0.058 Uiso 1 1 calc R . . C203 C -0.4572(15) 0.2262(10) 0.8298(16) 0.047(6) Uani 1 1 d . . . H203 H -0.4984 0.2436 0.8484 0.057 Uiso 1 1 calc R . . C204 C -0.3797(16) 0.2511(10) 0.8414(14) 0.044(6) Uani 1 1 d . . . H204 H -0.3691 0.2853 0.8669 0.053 Uiso 1 1 calc R . . C205 C -0.3185(17) 0.2269(10) 0.8164(14) 0.045(6) Uani 1 1 d . . . H205 H -0.2654 0.2441 0.8252 0.054 Uiso 1 1 calc R . . C206 C -0.3345(14) 0.1759(8) 0.7773(13) 0.032(5) Uani 1 1 d . . . H206 H -0.2914 0.1592 0.7606 0.038 Uiso 1 1 calc R . . C301 C -0.3490(13) 0.0725(8) 0.6676(12) 0.026(4) Uani 1 1 d . . . C302 C -0.3471(13) 0.1034(9) 0.6009(13) 0.034(5) Uani 1 1 d . . . H302 H -0.3888 0.1302 0.5803 0.041 Uiso 1 1 calc R . . C303 C -0.2851(14) 0.0943(10) 0.5665(13) 0.036(5) Uani 1 1 d . . . H303 H -0.2814 0.1169 0.5248 0.044 Uiso 1 1 calc R . . C304 C -0.2268(16) 0.0517(9) 0.5926(13) 0.039(6) Uani 1 1 d . . . H304 H -0.1876 0.0437 0.5652 0.047 Uiso 1 1 calc R . . C305 C -0.2262(12) 0.0211(8) 0.6586(12) 0.024(4) Uani 1 1 d . . . H305 H -0.1852 -0.0064 0.6780 0.029 Uiso 1 1 calc R . . C306 C -0.2893(11) 0.0324(7) 0.6959(11) 0.019(4) Uani 1 1 d . . . C401 C -0.1964(13) -0.0344(9) 0.8339(12) 0.030(5) Uani 1 1 d . . . C402 C -0.1329(15) 0.0041(8) 0.8516(15) 0.037(5) Uani 1 1 d . . . H402 H -0.1445 0.0397 0.8310 0.044 Uiso 1 1 calc R . . C403 C -0.0520(14) -0.0088(9) 0.8993(12) 0.033(5) Uani 1 1 d . . . H403 H -0.0090 0.0180 0.9112 0.039 Uiso 1 1 calc R . . C404 C -0.0346(15) -0.0613(9) 0.9295(15) 0.040(6) Uani 1 1 d . . . H404 H 0.0202 -0.0700 0.9625 0.048 Uiso 1 1 calc R . . C405 C -0.0992(14) -0.1021(9) 0.9107(13) 0.033(5) Uani 1 1 d . . . H405 H -0.0859 -0.1377 0.9309 0.039 Uiso 1 1 calc R . . C406 C -0.1826(11) -0.0908(8) 0.8626(11) 0.020(4) Uani 1 1 d . . . C1 C -0.3856(12) -0.2061(8) 0.8518(11) 0.021(4) Uani 1 1 d U . . C2 C -0.3916(11) -0.2039(7) 0.7689(11) 0.017(4) Uani 1 1 d U . . C3 C -0.4554(10) -0.1648(7) 0.7144(10) 0.015(4) Uani 1 1 d . . . C4 C -0.5100(12) -0.1302(7) 0.7467(11) 0.020(4) Uani 1 1 d . . . C5 C -0.5024(11) -0.1319(8) 0.8329(11) 0.019(4) Uani 1 1 d . . . C6 C -0.4373(11) -0.1691(7) 0.8856(10) 0.016(4) Uani 1 1 d . . . C7 C -0.4647(12) -0.2042(7) 0.9424(10) 0.021(4) Uani 1 1 d . . . C8 C -0.4289(12) -0.2596(8) 0.9444(11) 0.026(4) Uani 1 1 d . . . C9 C -0.3763(11) -0.2605(8) 0.8907(11) 0.019(4) Uani 1 1 d U . . C10 C -0.3767(11) -0.3090(7) 0.8463(11) 0.018(4) Uani 1 1 d U . . C11 C -0.3837(12) -0.3071(8) 0.7626(12) 0.024(4) Uani 1 1 d . . . C12 C -0.3926(12) -0.2551(8) 0.7261(11) 0.024(4) Uani 1 1 d . . . C13 C -0.4546(12) -0.2499(8) 0.6468(11) 0.020(4) Uani 1 1 d . . . C14 C -0.4940(13) -0.1962(8) 0.6394(12) 0.026(4) Uani 1 1 d . . . C15 C -0.5818(13) -0.1893(9) 0.5983(11) 0.028(5) Uani 1 1 d . . . C16 C -0.6357(12) -0.1562(8) 0.6292(10) 0.021(4) Uani 1 1 d . . . C17 C -0.6021(12) -0.1297(8) 0.7020(12) 0.023(4) Uani 1 1 d U . . C18 C -0.6473(12) -0.1287(7) 0.7605(13) 0.025(4) Uani 1 1 d . . . C19 C -0.5886(12) -0.1333(7) 0.8384(10) 0.016(4) Uani 1 1 d U . . C20 C -0.6110(14) -0.1609(8) 0.8961(12) 0.030(5) Uani 1 1 d . . . C21 C -0.5464(13) -0.1997(7) 0.9490(11) 0.023(4) Uani 1 1 d . . . C22 C -0.5926(13) -0.2473(9) 0.9623(11) 0.027(4) Uani 1 1 d . . . C23 C -0.5547(13) -0.2998(9) 0.9696(12) 0.029(5) Uani 1 1 d U . . C24 C -0.4686(14) -0.3051(8) 0.9606(12) 0.031(5) Uani 1 1 d . . . C25 C -0.4653(13) -0.3552(8) 0.9160(12) 0.029(5) Uani 1 1 d U . . C26 C -0.4198(13) -0.3573(8) 0.8632(14) 0.032(5) Uani 1 1 d . . . C27 C -0.4557(13) -0.3848(8) 0.7873(13) 0.028(5) Uani 1 1 d . . . C28 C -0.4341(12) -0.3541(8) 0.7257(12) 0.025(4) Uani 1 1 d U . . C29 C -0.4904(13) -0.3489(8) 0.6513(13) 0.029(5) Uani 1 1 d . . . C30 C -0.5022(12) -0.2968(8) 0.6084(12) 0.027(5) Uani 1 1 d . . . C31 C -0.5922(13) -0.2898(8) 0.5659(11) 0.028(5) Uani 1 1 d U . . C32 C -0.6307(12) -0.2374(8) 0.5607(11) 0.025(4) Uani 1 1 d U . . C33 C -0.7160(13) -0.2321(8) 0.5690(11) 0.025(4) Uani 1 1 d . . . C34 C -0.7179(12) -0.1812(8) 0.6112(12) 0.027(4) Uani 1 1 d U . . C35 C -0.7639(12) -0.1802(7) 0.6660(12) 0.024(4) Uani 1 1 d U . . C36 C -0.7288(12) -0.1517(8) 0.7429(12) 0.026(4) Uani 1 1 d U . . C37 C -0.7520(12) -0.1834(8) 0.8026(14) 0.030(5) Uani 1 1 d . . . C38 C -0.6935(14) -0.1871(8) 0.8790(12) 0.030(5) Uani 1 1 d . . . C39 C -0.6828(14) -0.2406(9) 0.9189(13) 0.034(5) Uani 1 1 d . . . C40 C -0.7300(13) -0.2848(9) 0.8831(13) 0.030(5) Uani 1 1 d . . . C41 C -0.6927(14) -0.3404(10) 0.8878(12) 0.037(5) Uani 1 1 d . . . C42 C -0.6056(13) -0.3466(8) 0.9303(12) 0.028(4) Uani 1 1 d U . . C43 C -0.5506(15) -0.3821(9) 0.8989(13) 0.037(6) Uani 1 1 d . . . C44 C -0.5834(14) -0.4088(8) 0.8250(14) 0.034(5) Uani 1 1 d . . . C45 C -0.5380(13) -0.4115(8) 0.7658(13) 0.031(5) Uani 1 1 d . . . C46 C -0.5966(13) -0.4062(7) 0.6908(12) 0.027(5) Uani 1 1 d . . . C47 C -0.5740(15) -0.3757(9) 0.6337(15) 0.038(5) Uani 1 1 d . . . C48 C -0.6371(14) -0.3389(8) 0.5811(12) 0.029(5) Uani 1 1 d . . . C49 C -0.7185(16) -0.3340(9) 0.5892(14) 0.043(6) Uani 1 1 d . . . C50 C -0.7584(13) -0.2800(8) 0.5834(13) 0.031(5) Uani 1 1 d . . . C51 C -0.8075(12) -0.2771(8) 0.6396(14) 0.034(5) Uani 1 1 d . . . C52 C -0.8111(12) -0.2282(8) 0.6817(13) 0.029(5) Uani 1 1 d . . . C53 C -0.8031(13) -0.2311(9) 0.7633(14) 0.035(5) Uani 1 1 d . . . C54 C -0.7928(13) -0.2816(9) 0.8042(15) 0.036(5) Uani 1 1 d . . . C55 C -0.7899(16) -0.3309(10) 0.7597(16) 0.046(6) Uani 1 1 d . . . C56 C -0.7262(13) -0.3683(9) 0.8141(15) 0.035(5) Uani 1 1 d . . . C57 C -0.6742(15) -0.4011(8) 0.7825(12) 0.031(5) Uani 1 1 d . . . C58 C -0.6832(14) -0.3999(9) 0.6962(14) 0.035(5) Uani 1 1 d . . . C59 C -0.7420(13) -0.3657(8) 0.6479(12) 0.027(5) Uani 1 1 d . . . C60 C -0.7973(13) -0.3318(9) 0.6792(15) 0.038(6) Uani 1 1 d . . . CA C -0.1152(16) 0.1844(12) 1.0414(14) 0.12(2) Uani 1 1 d D . . SA S -0.1793(10) 0.1505(9) 0.9643(10) 0.179(8) Uani 1 1 d D . . SAA S -0.0488(9) 0.2084(5) 1.1257(11) 0.156(7) Uani 1 1 d D . . 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 Ir1 0.0177(4) 0.0194(4) 0.0206(4) 0.0017(3) 0.0015(3) -0.0003(3) Ir2 0.0191(4) 0.0167(4) 0.0174(4) 0.0018(3) 0.0032(3) -0.0001(3) Ir3 0.0238(4) 0.0190(4) 0.0166(4) -0.0015(3) 0.0032(3) -0.0041(3) Ir4 0.0223(4) 0.0176(4) 0.0231(4) -0.0003(3) 0.0057(3) -0.0012(3) P1 0.025(3) 0.018(2) 0.029(3) 0.000(2) 0.003(2) -0.004(2) P2 0.024(3) 0.017(2) 0.023(3) 0.003(2) 0.005(2) 0.000(2) C1A 0.021(10) 0.010(9) 0.039(12) -0.005(8) 0.003(9) 0.009(8) O1A 0.042(10) 0.042(10) 0.043(10) -0.009(8) 0.001(8) 0.006(8) C1B 0.008(9) 0.019(10) 0.039(12) 0.007(9) 0.009(8) -0.001(7) O1B 0.039(9) 0.048(10) 0.035(9) 0.005(7) 0.015(8) 0.018(7) C2A 0.017(7) 0.019(7) 0.019(7) -0.003(6) -0.001(6) 0.009(6) O2A 0.075(13) 0.053(11) 0.028(9) 0.012(8) 0.003(9) 0.015(10) C3A 0.046(14) 0.026(11) 0.044(14) 0.000(10) 0.019(12) -0.015(10) O3A 0.078(14) 0.072(13) 0.049(11) -0.019(10) 0.042(11) -0.012(11) C3B 0.041(13) 0.030(11) 0.016(10) 0.003(9) 0.009(9) -0.012(10) O3B 0.041(9) 0.031(8) 0.029(8) 0.000(7) 0.001(7) 0.005(7) C4A 0.029(12) 0.022(10) 0.035(12) 0.002(9) 0.021(10) 0.000(8) O4A 0.042(11) 0.054(11) 0.055(11) -0.013(9) 0.022(9) -0.008(8) C4B 0.053(15) 0.025(11) 0.034(13) -0.011(10) 0.014(11) -0.011(10) O4B 0.109(17) 0.055(12) 0.038(10) -0.023(10) 0.025(11) -0.029(11) C101 0.014(10) 0.033(11) 0.022(10) -0.003(9) -0.009(8) 0.006(8) C102 0.033(13) 0.054(15) 0.030(12) -0.014(11) 0.003(10) -0.009(11) C103 0.050(16) 0.066(18) 0.034(13) -0.028(13) 0.014(12) -0.016(13) C104 0.026(12) 0.09(2) 0.015(10) 0.003(12) -0.010(9) 0.017(13) C105 0.049(16) 0.050(16) 0.036(13) 0.004(12) -0.001(12) 0.027(13) C106 0.045(14) 0.037(13) 0.027(12) -0.014(10) 0.000(10) -0.003(11) C201 0.021(10) 0.013(9) 0.037(11) 0.003(9) 0.005(9) 0.006(8) C202 0.043(15) 0.054(16) 0.040(14) -0.017(12) 0.003(11) -0.008(12) C203 0.031(13) 0.049(15) 0.061(17) -0.015(13) 0.013(12) 0.011(11) C204 0.050(16) 0.039(14) 0.036(13) -0.021(11) 0.000(11) -0.010(12) C205 0.056(16) 0.040(14) 0.040(14) 0.000(11) 0.015(12) -0.011(12) C206 0.033(12) 0.017(10) 0.046(13) -0.003(9) 0.013(10) -0.005(9) C301 0.030(11) 0.016(10) 0.024(10) 0.000(8) -0.002(9) -0.013(8) C302 0.025(11) 0.027(11) 0.035(12) 0.016(10) -0.013(9) 0.003(9) C303 0.036(13) 0.044(14) 0.024(11) -0.002(10) 0.003(10) -0.015(11) C304 0.051(15) 0.039(13) 0.034(12) -0.010(11) 0.021(11) -0.025(11) C305 0.015(9) 0.018(9) 0.037(12) 0.010(9) 0.002(8) 0.008(7) C306 0.015(9) 0.018(9) 0.021(10) 0.000(8) 0.000(7) -0.010(7) C401 0.027(11) 0.034(12) 0.022(10) -0.004(9) -0.002(9) -0.013(9) C402 0.040(14) 0.016(10) 0.058(15) -0.006(10) 0.020(12) -0.006(9) C403 0.030(12) 0.041(13) 0.021(10) -0.009(10) 0.000(9) -0.011(10) C404 0.034(13) 0.034(13) 0.052(15) 0.012(11) 0.012(11) 0.001(10) C405 0.034(12) 0.032(12) 0.035(12) -0.006(10) 0.015(10) -0.009(9) C406 0.017(9) 0.025(10) 0.015(9) -0.010(8) 0.000(7) -0.005(8) C1 0.020(4) 0.020(4) 0.021(4) -0.0001(10) 0.0060(15) -0.0003(10) C2 0.014(7) 0.012(7) 0.022(7) -0.007(6) -0.001(6) -0.006(6) C3 0.007(8) 0.016(9) 0.018(9) 0.010(7) -0.002(7) -0.004(7) C4 0.027(11) 0.010(9) 0.017(9) 0.005(7) -0.003(8) -0.004(7) C5 0.015(9) 0.022(10) 0.019(9) -0.007(8) 0.001(7) -0.012(7) C6 0.020(10) 0.019(9) 0.008(8) 0.009(7) 0.000(7) 0.006(7) C7 0.028(11) 0.018(9) 0.012(9) -0.004(7) -0.002(8) -0.004(8) C8 0.024(11) 0.030(11) 0.015(9) 0.005(8) -0.005(8) -0.008(8) C9 0.009(7) 0.024(7) 0.020(7) 0.002(6) -0.005(6) 0.001(6) C10 0.011(7) 0.015(7) 0.023(7) 0.011(6) -0.002(6) 0.007(6) C11 0.026(11) 0.019(10) 0.028(10) -0.006(8) 0.012(9) 0.002(8) C12 0.024(11) 0.030(11) 0.022(10) -0.004(9) 0.013(8) -0.007(8) C13 0.026(10) 0.020(9) 0.020(9) -0.002(8) 0.015(8) 0.003(8) C14 0.028(11) 0.028(11) 0.022(10) 0.001(9) 0.007(9) -0.010(9) C15 0.026(11) 0.036(12) 0.014(9) 0.016(9) -0.004(8) 0.001(9) C16 0.022(10) 0.022(10) 0.014(9) 0.009(8) 0.001(8) 0.003(8) C17 0.024(8) 0.018(7) 0.027(8) 0.012(6) 0.007(6) 0.006(6) C18 0.015(10) 0.012(9) 0.046(13) 0.003(9) 0.005(9) 0.004(7) C19 0.024(7) 0.012(7) 0.012(7) -0.002(6) 0.006(6) 0.005(6) C20 0.046(13) 0.020(10) 0.030(11) -0.010(9) 0.021(10) 0.005(9) C21 0.033(11) 0.014(9) 0.014(9) -0.004(7) -0.003(8) -0.015(8) C22 0.028(11) 0.032(11) 0.021(10) 0.006(9) 0.007(8) -0.002(9) C23 0.032(8) 0.035(8) 0.020(7) 0.012(7) 0.010(6) -0.006(7) C24 0.043(13) 0.024(11) 0.021(10) 0.006(9) 0.001(9) 0.013(9) C25 0.031(8) 0.024(8) 0.028(8) 0.012(7) 0.002(7) 0.003(7) C26 0.028(11) 0.013(10) 0.049(14) 0.010(9) 0.003(10) -0.003(8) C27 0.027(11) 0.016(10) 0.037(12) 0.003(9) 0.004(9) 0.003(8) C28 0.020(7) 0.020(7) 0.033(8) 0.001(6) 0.006(6) 0.009(6) C29 0.026(11) 0.022(10) 0.041(12) -0.003(9) 0.012(9) 0.006(9) C30 0.024(11) 0.037(12) 0.027(11) -0.016(9) 0.020(9) -0.010(9) C31 0.034(8) 0.028(8) 0.017(7) -0.008(7) -0.001(6) -0.002(7) C32 0.028(8) 0.023(8) 0.016(7) -0.008(6) -0.003(6) -0.005(6) C33 0.027(11) 0.027(11) 0.013(9) 0.000(8) -0.006(8) 0.003(8) C34 0.020(8) 0.024(8) 0.030(8) -0.005(7) -0.003(6) -0.007(6) C35 0.020(7) 0.012(7) 0.034(8) 0.006(6) -0.001(6) 0.000(6) C36 0.019(7) 0.022(8) 0.033(8) 0.001(7) 0.001(6) 0.008(6) C37 0.014(10) 0.026(11) 0.051(14) -0.011(10) 0.010(9) 0.001(8) C38 0.044(13) 0.024(11) 0.027(11) -0.012(9) 0.015(10) -0.013(9) C39 0.044(13) 0.033(12) 0.030(11) 0.003(10) 0.020(10) -0.009(10) C40 0.030(12) 0.027(11) 0.039(12) 0.004(10) 0.017(10) -0.003(9) C41 0.034(13) 0.053(15) 0.024(11) -0.002(10) 0.010(9) -0.019(11) C42 0.034(8) 0.027(8) 0.022(8) 0.012(7) 0.006(7) -0.002(7) C43 0.042(13) 0.026(11) 0.030(12) 0.022(10) -0.011(10) -0.005(10) C44 0.032(12) 0.017(10) 0.045(13) 0.007(9) 0.000(10) -0.007(9) C45 0.025(11) 0.019(10) 0.044(13) 0.000(9) 0.004(9) 0.011(8) C46 0.028(11) 0.013(9) 0.029(11) 0.000(8) -0.005(9) -0.004(8) C47 0.041(14) 0.021(11) 0.050(14) -0.007(10) 0.012(11) -0.004(10) C48 0.034(12) 0.017(10) 0.026(11) -0.018(8) -0.004(9) -0.008(8) C49 0.055(16) 0.025(12) 0.036(13) -0.016(10) -0.005(11) -0.014(11) C50 0.019(11) 0.022(10) 0.039(12) 0.001(9) -0.010(9) -0.004(8) C51 0.010(10) 0.026(11) 0.055(14) 0.008(10) -0.007(9) -0.002(8) C52 0.007(9) 0.032(11) 0.039(12) -0.001(10) -0.009(8) 0.000(8) C53 0.023(11) 0.040(13) 0.047(14) -0.003(11) 0.017(10) 0.001(9) C54 0.015(10) 0.034(12) 0.062(15) -0.004(11) 0.017(10) -0.012(9) C55 0.040(14) 0.031(13) 0.063(17) -0.018(12) 0.011(12) -0.018(11) C56 0.025(12) 0.029(11) 0.056(15) 0.006(11) 0.017(11) -0.016(9) C57 0.049(14) 0.018(10) 0.026(11) 0.003(8) 0.009(10) -0.016(9) C58 0.031(12) 0.024(11) 0.043(13) -0.013(10) 0.000(10) -0.013(9) C59 0.025(11) 0.026(11) 0.022(10) -0.008(8) -0.007(8) -0.008(8) C60 0.010(10) 0.041(13) 0.056(15) -0.011(11) -0.002(10) -0.018(9) CA 0.10(3) 0.08(3) 0.24(6) 0.10(3) 0.15(4) 0.06(2) SA 0.100(11) 0.25(2) 0.194(18) 0.068(16) 0.056(11) 0.011(12) SAA 0.128(12) 0.078(8) 0.31(2) -0.040(11) 0.134(14) -0.010(7)