#------------------------------------------------------------------------------ #$Date: 2012-02-24 17:13:23 +0000 (Fri, 24 Feb 2012) $ #$Revision: 34330 $ #$URL: svn://www.crystallography.net/cod/cif/4/06/01/4060108.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_4060108 _journal_name_full Organometallics _journal_year 2005 _chemical_formula_sum 'C25 H27 F6 N O2 Pt' _chemical_formula_weight 682.57 _space_group_IT_number 15 _symmetry_cell_setting monoclinic _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _cell_angle_alpha 90.00 _cell_angle_beta 93.702(4) _cell_angle_gamma 90.00 _cell_formula_units_Z 16 _cell_length_a 14.633(3) _cell_length_b 25.866(6) _cell_length_c 26.110(6) _cell_measurement_reflns_used ? _cell_measurement_temperature 293(2) _cell_measurement_theta_max ? _cell_measurement_theta_min ? _cell_volume 9862(4) _diffrn_ambient_temperature 293(2) _diffrn_detector_area_resol_mean ? _diffrn_measurement_device_type 'Bruker P4' _diffrn_measurement_method '\w scans' _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0386 _diffrn_reflns_av_sigmaI/netI 0.0547 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_k_max 34 _diffrn_reflns_limit_k_min -26 _diffrn_reflns_limit_l_max 34 _diffrn_reflns_limit_l_min -33 _diffrn_reflns_number 31086 _diffrn_reflns_theta_max 28.33 _diffrn_reflns_theta_min 1.56 _diffrn_standards_decay_% 0 _diffrn_standards_interval_count 0 _diffrn_standards_interval_time 0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 5.759 _exptl_absorpt_correction_T_max ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_type none _exptl_absorpt_process_details ? _exptl_crystal_colour gold _exptl_crystal_density_diffrn 1.839 _exptl_crystal_density_meas hemisphere _exptl_crystal_density_method 'not measured' _exptl_crystal_description rod _exptl_crystal_F_000 5312 _exptl_crystal_size_max .25 _exptl_crystal_size_mid .06 _exptl_crystal_size_min .06 _refine_ls_extinction_coef ? _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.046 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 645 _refine_ls_number_reflns 11534 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.046 _refine_ls_R_factor_all 0.0703 _refine_ls_R_factor_gt 0.0412 _refine_ls_shift/su_max 0.017 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0111P)^2^+156.6230P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0875 _refine_ls_wR_factor_ref 0.0976 _reflns_number_gt 8022 _reflns_number_total 11534 _reflns_threshold_expression >2sigma(I) _[local]_cod_cif_authors_sg_H-M 'C 2/c' _cod_depositor_comments ; The following automatic conversions were performed: '_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic' 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 ; _cod_database_code 4060108 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -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_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Pt1 Pt 0.37709(2) 0.098406(10) 0.176608(11) 0.02910(8) Uani 1 1 d . . . F1 F 0.4263(6) -0.1276(4) 0.3183(5) 0.173(6) Uani 1 1 d . . . O1 O 0.3772(4) 0.08955(19) 0.09940(19) 0.0350(12) Uani 1 1 d . . . N1 N 0.3727(4) 0.1100(2) 0.2520(3) 0.0360(15) Uani 1 1 d . . . F2 F 0.2915(5) -0.1327(3) 0.2997(3) 0.109(3) Uani 1 1 d . . . O2 O 0.3864(4) 0.1768(2) 0.1654(2) 0.0474(15) Uani 1 1 d . . . C2 C 0.3644(6) 0.1571(3) 0.2730(4) 0.049(2) Uani 1 1 d . . . H2A H 0.3615 0.1863 0.2521 0.059 Uiso 1 1 calc R . . F3 F 0.3792(12) -0.1634(3) 0.2524(4) 0.230(8) Uani 1 1 d . . . C3 C 0.3602(6) 0.1625(5) 0.3266(4) 0.070(3) Uani 1 1 d . . . H3A H 0.3535 0.1952 0.3406 0.084 Uiso 1 1 calc R . . F4 F 0.3034(4) -0.00453(18) 0.09215(18) 0.0551(14) Uani 1 1 d . . . C4 C 0.3657(6) 0.1205(4) 0.3581(4) 0.053(2) Uani 1 1 d . . . F5 F 0.3728(6) -0.07703(19) 0.0996(2) 0.090(2) Uani 1 1 d . . . C5 C 0.3759(5) 0.0731(4) 0.3351(3) 0.048(2) Uani 1 1 d . . . H5A H 0.3833 0.0439 0.3557 0.058 Uiso 1 1 calc R . . F6 F 0.4523(4) -0.0068(2) 0.09968(19) 0.0593(14) Uani 1 1 d . . . C6 C 0.3755(5) 0.0675(3) 0.2829(3) 0.0342(17) Uani 1 1 d . . . C7 C 0.3767(5) 0.0199(3) 0.2541(3) 0.0341(17) Uani 1 1 d . . . C8 C 0.3755(6) -0.0281(3) 0.2797(3) 0.044(2) Uani 1 1 d . . . H8A H 0.3766 -0.0288 0.3154 0.053 Uiso 1 1 calc R . . C9 C 0.3728(6) -0.0731(3) 0.2532(3) 0.045(2) Uani 1 1 d . . . C10 C 0.3724(6) -0.0717(3) 0.1997(3) 0.0405(19) Uani 1 1 d . . . H10A H 0.3714 -0.1023 0.1811 0.049 Uiso 1 1 calc R . . C11 C 0.3736(5) -0.0244(3) 0.1741(3) 0.0298(15) Uani 1 1 d . . . C12 C 0.3758(5) 0.0238(3) 0.1993(3) 0.0280(15) Uani 1 1 d . . . C13 C 0.3595(7) 0.1269(5) 0.4158(4) 0.073(3) Uani 1 1 d . . . H13A H 0.3802 0.1609 0.4259 0.109 Uiso 1 1 calc R . . H13B H 0.3973 0.1015 0.4336 0.109 Uiso 1 1 calc R . . H13C H 0.2971 0.1225 0.4243 0.109 Uiso 1 1 calc R . . C14 C 0.3683(8) -0.1242(4) 0.2800(4) 0.063(3) Uani 1 1 d . . . C15 C 0.3744(7) -0.0274(3) 0.1158(3) 0.049(2) Uani 1 1 d . . . C16 C 0.3634(6) 0.1090(3) 0.0102(3) 0.045(2) Uani 1 1 d . . . C17 C 0.3789(5) 0.1274(3) 0.0660(3) 0.0378(18) Uani 1 1 d . . . C18 C 0.3904(6) 0.1794(3) 0.0778(4) 0.044(2) Uani 1 1 d . . . H18A H 0.3975 0.2015 0.0502 0.053 Uiso 1 1 calc R . . C19 C 0.3925(5) 0.2021(3) 0.1259(4) 0.044(2) Uani 1 1 d . . . C20 C 0.4053(6) 0.2610(3) 0.1321(4) 0.056(3) Uani 1 1 d . . . C21 C 0.2644(7) 0.0900(4) 0.0028(3) 0.059(3) Uani 1 1 d . . . H21A H 0.2234 0.1184 0.0075 0.088 Uiso 1 1 calc R . . H21B H 0.2541 0.0635 0.0275 0.088 Uiso 1 1 calc R . . H21C H 0.2536 0.0762 -0.0312 0.088 Uiso 1 1 calc R . . C22 C 0.4286(8) 0.0645(5) -0.0010(4) 0.079(4) Uani 1 1 d . . . H22A H 0.4908 0.0764 0.0035 0.118 Uiso 1 1 calc R . . H22B H 0.4163 0.0529 -0.0357 0.118 Uiso 1 1 calc R . . H22C H 0.4195 0.0365 0.0222 0.118 Uiso 1 1 calc R . . C23 C 0.3772(8) 0.1514(4) -0.0301(4) 0.076(3) Uani 1 1 d . . . H23A H 0.3340 0.1788 -0.0259 0.114 Uiso 1 1 calc R . . H23B H 0.3677 0.1370 -0.0639 0.114 Uiso 1 1 calc R . . H23C H 0.4383 0.1648 -0.0255 0.114 Uiso 1 1 calc R . . C24 C 0.3893(13) 0.2783(4) 0.1877(7) 0.154(9) Uani 1 1 d . . . H24A H 0.3270 0.2714 0.1950 0.231 Uiso 1 1 calc R . . H24B H 0.4011 0.3147 0.1912 0.231 Uiso 1 1 calc R . . H24C H 0.4298 0.2596 0.2114 0.231 Uiso 1 1 calc R . . C25 C 0.5027(6) 0.2746(3) 0.1237(4) 0.059(3) Uani 1 1 d . . . H25A H 0.5102 0.3114 0.1254 0.088 Uiso 1 1 calc R . . H25B H 0.5178 0.2625 0.0906 0.088 Uiso 1 1 calc R . . H25C H 0.5424 0.2586 0.1498 0.088 Uiso 1 1 calc R . . C26 C 0.3408(10) 0.2904(4) 0.0959(8) 0.175(10) Uani 1 1 d . . . H26A H 0.2788 0.2824 0.1029 0.263 Uiso 1 1 calc R . . H26B H 0.3510 0.2807 0.0612 0.263 Uiso 1 1 calc R . . H26C H 0.3512 0.3268 0.1002 0.263 Uiso 1 1 calc R . . Pt27 Pt 0.123353(19) 0.119490(9) 0.325996(10) 0.02350(7) Uani 1 1 d . . . N27 N 0.1287(4) 0.1450(2) 0.2540(2) 0.0277(12) Uani 1 1 d . . . O27 O 0.1273(3) 0.19515(16) 0.35149(17) 0.0279(10) Uani 1 1 d . . . F27 F 0.1563(5) -0.0719(2) 0.1410(2) 0.0783(19) Uani 1 1 d . . . O28 O 0.1065(3) 0.09554(18) 0.39849(17) 0.0311(11) Uani 1 1 d . . . F28 F 0.1605(5) -0.1226(2) 0.2037(2) 0.0756(19) Uani 1 1 d . . . C28 C 0.1306(5) 0.1960(3) 0.2421(3) 0.0344(17) Uani 1 1 d . . . H28A H 0.1306 0.2202 0.2684 0.041 Uiso 1 1 calc R . . F29 F 0.0324(4) -0.0943(2) 0.1722(2) 0.0730(18) Uani 1 1 d . . . C29 C 0.1325(5) 0.2128(3) 0.1922(3) 0.0358(17) Uani 1 1 d . . . H29A H 0.1339 0.2480 0.1851 0.043 Uiso 1 1 calc R . . F30 F 0.2156(3) 0.01228(18) 0.38825(16) 0.0460(11) Uani 1 1 d . . . C30 C 0.1323(5) 0.1764(3) 0.1515(3) 0.0294(15) Uani 1 1 d . . . F31 F 0.1735(5) -0.06502(19) 0.36997(19) 0.080(2) Uani 1 1 d . . . C31 C 0.1258(5) 0.1240(2) 0.1661(2) 0.0248(14) Uani 1 1 d . . . H31A H 0.1215 0.0989 0.1405 0.030 Uiso 1 1 calc R . . F32 F 0.0735(4) -0.00897(18) 0.38874(17) 0.0542(13) Uani 1 1 d . . . C32 C 0.1257(5) 0.1088(3) 0.2159(3) 0.0264(14) Uani 1 1 d . . . C33 C 0.1250(5) 0.0562(3) 0.2354(3) 0.0288(15) Uani 1 1 d . . . C34 C 0.1221(5) 0.0146(3) 0.2019(3) 0.0322(16) Uani 1 1 d . . . H34A H 0.1181 0.0202 0.1666 0.039 Uiso 1 1 calc R . . C35 C 0.1252(5) -0.0352(3) 0.2209(3) 0.0319(16) Uani 1 1 d . . . C36 C 0.1325(5) -0.0428(3) 0.2734(3) 0.0330(16) Uani 1 1 d . . . H36A H 0.1356 -0.0763 0.2863 0.040 Uiso 1 1 calc R . . C37 C 0.1354(5) -0.0012(3) 0.3073(3) 0.0320(16) Uani 1 1 d . . . C38 C 0.1281(4) 0.0502(3) 0.2899(3) 0.0262(14) Uani 1 1 d . . . C39 C 0.1350(6) 0.1934(3) 0.0965(3) 0.0382(18) Uani 1 1 d . . . H39A H 0.1839 0.1758 0.0809 0.057 Uiso 1 1 calc R . . H39B H 0.1450 0.2300 0.0953 0.057 Uiso 1 1 calc R . . H39C H 0.0778 0.1851 0.0782 0.057 Uiso 1 1 calc R . . C40 C 0.1176(6) -0.0806(3) 0.1854(3) 0.0415(19) Uani 1 1 d . . . C41 C 0.1488(6) -0.0149(3) 0.3631(3) 0.043(2) Uani 1 1 d . . . C42 C 0.1389(5) 0.2694(3) 0.4047(3) 0.0315(16) Uani 1 1 d . . . C43 C 0.1272(5) 0.2106(3) 0.3987(3) 0.0278(15) Uani 1 1 d . . . C44 C 0.1170(5) 0.1782(3) 0.4398(3) 0.0307(16) Uani 1 1 d . . . H44A H 0.1203 0.1934 0.4721 0.037 Uiso 1 1 calc R . . C45 C 0.1021(5) 0.1247(3) 0.4379(3) 0.0296(16) Uani 1 1 d . . . C46 C 0.0756(6) 0.0953(3) 0.4871(3) 0.0401(19) Uani 1 1 d . . . C47 C 0.2302(6) 0.2857(3) 0.3825(4) 0.053(2) Uani 1 1 d . . . H47A H 0.2288 0.2767 0.3467 0.080 Uiso 1 1 calc R . . H47B H 0.2801 0.2681 0.4006 0.080 Uiso 1 1 calc R . . H47C H 0.2382 0.3223 0.3862 0.080 Uiso 1 1 calc R . . C48 C 0.0586(6) 0.2956(3) 0.3731(3) 0.0382(18) Uani 1 1 d . . . H48A H 0.0017 0.2848 0.3860 0.057 Uiso 1 1 calc R . . H48B H 0.0601 0.2858 0.3377 0.057 Uiso 1 1 calc R . . H48C H 0.0644 0.3325 0.3761 0.057 Uiso 1 1 calc R . . C49 C 0.1380(7) 0.2876(3) 0.4606(3) 0.046(2) Uani 1 1 d . . . H49A H 0.0807 0.2784 0.4741 0.070 Uiso 1 1 calc R . . H49B H 0.1455 0.3245 0.4620 0.070 Uiso 1 1 calc R . . H49C H 0.1872 0.2714 0.4808 0.070 Uiso 1 1 calc R . . C50 C 0.1528(6) 0.0571(3) 0.5014(3) 0.048(2) Uani 1 1 d . . . H50A H 0.1391 0.0387 0.5319 0.072 Uiso 1 1 calc R . . H50B H 0.2093 0.0756 0.5074 0.072 Uiso 1 1 calc R . . H50C H 0.1584 0.0330 0.4738 0.072 Uiso 1 1 calc R . . C51 C -0.0132(6) 0.0664(3) 0.4741(3) 0.049(2) Uani 1 1 d . . . H51A H -0.0261 0.0441 0.5021 0.073 Uiso 1 1 calc R . . H51B H -0.0073 0.0461 0.4437 0.073 Uiso 1 1 calc R . . H51C H -0.0622 0.0907 0.4682 0.073 Uiso 1 1 calc R . . C52 C 0.0630(9) 0.1310(3) 0.5323(3) 0.069(3) Uani 1 1 d . . . H52A H 0.0469 0.1109 0.5613 0.103 Uiso 1 1 calc R . . H52B H 0.0151 0.1553 0.5234 0.103 Uiso 1 1 calc R . . H52C H 0.1191 0.1492 0.5408 0.103 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 Pt1 0.02673(15) 0.02173(15) 0.03885(16) -0.00449(11) 0.00222(11) -0.00074(11) F1 0.123(7) 0.140(8) 0.241(12) 0.150(9) -0.094(8) -0.045(6) O1 0.041(3) 0.026(3) 0.038(3) 0.006(2) 0.001(2) -0.003(2) N1 0.030(3) 0.032(4) 0.047(4) -0.016(3) 0.005(3) -0.002(3) F2 0.091(5) 0.072(5) 0.166(8) 0.066(5) 0.033(5) 0.010(4) O2 0.039(3) 0.033(3) 0.072(4) -0.016(3) 0.014(3) -0.005(2) C2 0.047(5) 0.041(5) 0.060(6) -0.017(4) 0.004(4) -0.007(4) F3 0.53(2) 0.052(5) 0.127(7) 0.048(5) 0.179(12) 0.098(9) C3 0.040(5) 0.082(8) 0.090(8) -0.057(7) 0.020(5) -0.022(5) F4 0.077(4) 0.043(3) 0.042(3) 0.006(2) -0.019(3) -0.018(3) C4 0.032(5) 0.074(7) 0.054(6) -0.024(5) 0.011(4) -0.010(4) F5 0.203(8) 0.024(3) 0.044(3) -0.006(2) 0.004(4) 0.011(4) C5 0.033(4) 0.077(7) 0.034(4) -0.021(4) -0.002(3) 0.005(4) F6 0.084(4) 0.052(3) 0.043(3) 0.003(2) 0.022(3) 0.023(3) C6 0.023(4) 0.050(5) 0.030(4) -0.008(3) 0.002(3) 0.000(3) C7 0.031(4) 0.041(5) 0.030(4) -0.002(3) 0.002(3) 0.008(3) C8 0.046(5) 0.059(6) 0.027(4) 0.002(4) 0.005(3) 0.020(4) C9 0.048(5) 0.038(5) 0.049(5) 0.015(4) 0.014(4) 0.015(4) C10 0.053(5) 0.026(4) 0.043(5) 0.000(3) 0.011(4) 0.012(4) C11 0.036(4) 0.023(4) 0.030(4) 0.003(3) 0.005(3) 0.005(3) C12 0.022(3) 0.021(4) 0.041(4) 0.002(3) -0.001(3) 0.001(3) C13 0.046(6) 0.117(10) 0.057(6) -0.039(6) 0.013(5) -0.006(6) C14 0.092(8) 0.041(6) 0.058(6) 0.021(4) 0.025(6) 0.033(5) C15 0.083(7) 0.021(4) 0.043(5) -0.003(3) 0.011(5) 0.006(4) C16 0.048(5) 0.044(5) 0.043(5) 0.022(4) 0.007(4) -0.001(4) C17 0.030(4) 0.040(5) 0.044(5) 0.012(3) 0.005(3) -0.001(3) C18 0.045(5) 0.025(4) 0.063(6) 0.013(4) 0.007(4) 0.001(3) C19 0.032(4) 0.024(4) 0.078(7) 0.008(4) 0.010(4) 0.002(3) C20 0.046(5) 0.021(4) 0.101(8) -0.003(4) 0.007(5) 0.001(4) C21 0.076(7) 0.062(6) 0.039(5) -0.006(4) 0.010(5) -0.001(5) C22 0.088(8) 0.104(10) 0.045(6) 0.010(6) 0.010(6) 0.042(7) C23 0.090(8) 0.078(8) 0.060(7) 0.033(6) 0.001(6) -0.023(6) C24 0.23(2) 0.028(6) 0.220(19) -0.035(8) 0.162(17) -0.033(9) C25 0.055(6) 0.034(5) 0.088(8) 0.002(5) 0.008(5) -0.011(4) C26 0.119(12) 0.022(6) 0.36(3) 0.016(10) -0.139(15) -0.003(7) Pt27 0.02689(14) 0.02122(14) 0.02247(13) -0.00113(10) 0.00211(10) -0.00144(11) N27 0.026(3) 0.030(3) 0.027(3) -0.001(2) 0.000(2) 0.001(3) O27 0.044(3) 0.018(2) 0.021(2) -0.0026(18) 0.004(2) 0.001(2) F27 0.121(5) 0.062(4) 0.056(3) -0.022(3) 0.037(4) -0.017(4) O28 0.043(3) 0.026(3) 0.024(2) 0.0031(19) 0.002(2) 0.001(2) F28 0.115(5) 0.043(3) 0.065(4) -0.024(3) -0.023(3) 0.036(3) C28 0.053(5) 0.025(4) 0.025(4) 0.002(3) 0.000(3) -0.008(3) F29 0.061(4) 0.054(4) 0.102(5) -0.044(3) -0.009(3) -0.004(3) C29 0.049(5) 0.029(4) 0.030(4) 0.003(3) 0.005(3) -0.005(3) F30 0.055(3) 0.051(3) 0.030(2) 0.002(2) -0.002(2) 0.014(2) C30 0.037(4) 0.032(4) 0.020(3) 0.007(3) 0.004(3) -0.003(3) F31 0.169(7) 0.030(3) 0.039(3) 0.002(2) -0.007(3) 0.033(3) C31 0.028(4) 0.025(4) 0.020(3) -0.013(2) -0.004(3) 0.000(3) F32 0.086(4) 0.042(3) 0.036(3) -0.003(2) 0.019(3) -0.020(3) C32 0.024(4) 0.029(4) 0.025(3) 0.000(3) -0.003(3) -0.002(3) C33 0.023(4) 0.028(4) 0.035(4) -0.007(3) 0.001(3) 0.001(3) C34 0.035(4) 0.034(4) 0.027(4) -0.006(3) 0.002(3) 0.001(3) C35 0.033(4) 0.025(4) 0.038(4) -0.006(3) 0.003(3) -0.002(3) C36 0.045(5) 0.019(4) 0.035(4) 0.000(3) 0.004(3) -0.001(3) C37 0.039(4) 0.022(4) 0.035(4) -0.005(3) 0.006(3) 0.004(3) C38 0.024(3) 0.021(3) 0.033(4) -0.003(3) 0.000(3) 0.002(3) C39 0.049(5) 0.036(4) 0.030(4) 0.004(3) 0.008(3) -0.003(4) C40 0.051(5) 0.031(4) 0.043(5) -0.008(3) 0.003(4) -0.002(4) C41 0.070(6) 0.021(4) 0.038(4) 0.000(3) 0.008(4) 0.004(4) C42 0.043(4) 0.018(4) 0.032(4) -0.004(3) -0.002(3) 0.002(3) C43 0.032(4) 0.026(4) 0.025(3) -0.004(3) 0.001(3) 0.004(3) C44 0.043(4) 0.027(4) 0.023(3) -0.003(3) 0.001(3) 0.004(3) C45 0.039(4) 0.027(4) 0.024(3) 0.003(3) 0.004(3) 0.010(3) C46 0.064(6) 0.033(4) 0.024(4) 0.006(3) 0.012(4) 0.005(4) C47 0.044(5) 0.027(4) 0.090(7) -0.010(4) 0.011(5) -0.004(4) C48 0.053(5) 0.024(4) 0.036(4) 0.005(3) -0.006(4) 0.003(3) C49 0.072(6) 0.029(4) 0.037(4) -0.007(3) -0.013(4) 0.009(4) C50 0.061(6) 0.045(5) 0.037(5) 0.007(4) -0.001(4) 0.005(4) C51 0.050(5) 0.045(5) 0.053(5) 0.017(4) 0.024(4) 0.010(4) C52 0.134(10) 0.046(6) 0.030(4) 0.002(4) 0.027(5) 0.018(6)