#------------------------------------------------------------------------------ #$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $ #$Revision: 858 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/4060270.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_4060270 _journal_name_full 'Organometallics' _journal_year 2004 _chemical_formula_sum 'C61 H48 Cl2 O4.5 P3 W' _[local]_cod_chemical_formula_sum_orig 'C61 H48 Cl2 O4.50 P3 W' _chemical_formula_weight 1200.65 _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 9.8218(9) _cell_length_b 13.7537(12) _cell_length_c 21.2007(18) _cell_angle_alpha 73.649(2) _cell_angle_beta 83.467(2) _cell_angle_gamma 73.488(2) _cell_volume 2633.0(4) _cell_formula_units_Z 2 _cell_measurement_temperature 150(1) _cell_measurement_reflns_used 1765 _cell_measurement_theta_min 2.33 _cell_measurement_theta_max 20.17 _exptl_crystal_description yellow _exptl_crystal_colour plate _exptl_crystal_size_max 0.15 _exptl_crystal_size_mid 0.08 _exptl_crystal_size_min 0.02 _exptl_crystal_density_meas 0 _exptl_crystal_density_diffrn 1.514 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1206 _exptl_absorpt_coefficient_mu 2.436 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.7114 _exptl_absorpt_correction_T_max 0.9529 _exptl_absorpt_process_details ? _diffrn_ambient_temperature 150(1) _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 'BRUKER SMART ApexCCD area detector' _diffrn_measurement_method 'omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 24760 _diffrn_reflns_av_R_equivalents 0.1168 _diffrn_reflns_av_sigmaI/netI 0.1562 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_l_min -25 _diffrn_reflns_limit_l_max 25 _diffrn_reflns_theta_min 1.00 _diffrn_reflns_theta_max 25.00 _reflns_number_total 9291 _reflns_number_gt 6549 _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^)+(0.0696P)^2^+0.0000P] 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 SHELXL _refine_ls_extinction_coef 0.0183(10) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 9291 _refine_ls_number_parameters 640 _refine_ls_number_restraints 5 _refine_ls_R_factor_all 0.1045 _refine_ls_R_factor_gt 0.0690 _refine_ls_wR_factor_ref 0.1884 _refine_ls_wR_factor_gt 0.1538 _refine_ls_goodness_of_fit_ref 1.041 _refine_ls_restrained_S_all 1.042 _refine_ls_shift/su_max 0.001 _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_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group W W 0.30727(4) 0.05594(3) 0.18153(2) 0.0289(2) Uani 1 1 d . . . P1 P 0.3745(3) 0.1892(2) 0.08330(13) 0.0335(6) Uani 1 1 d . . . P2 P 0.2192(3) -0.0578(2) 0.28287(13) 0.0315(6) Uani 1 1 d . . . P3 P 0.0895(3) 0.2739(2) 0.37612(13) 0.0354(7) Uani 1 1 d . A . O1 O 0.1184(8) -0.0199(7) 0.1075(4) 0.049(2) Uani 1 1 d . . . O2 O 0.1489(7) 0.1786(5) 0.1822(3) 0.0282(15) Uani 1 1 d . . . O3 O 0.4897(7) -0.0494(6) 0.1938(4) 0.0380(18) Uani 1 1 d . . . O4 O 0.3935(7) 0.1323(6) 0.2330(3) 0.0345(17) Uani 1 1 d . . . C1 C 0.1877(10) 0.0113(8) 0.1343(5) 0.033(3) Uani 1 1 d . . . C2 C 0.1735(10) 0.2580(8) 0.2067(5) 0.031(2) Uani 1 1 d . . . C3 C 0.2283(11) 0.3395(9) 0.1544(5) 0.037(3) Uani 1 1 d . . . C4 C 0.1881(13) 0.4407(9) 0.1619(5) 0.044(3) Uani 1 1 d . . . H4A H 0.1249 0.4564 0.1972 0.053 Uiso 1 1 calc R . . C5 C 0.2399(13) 0.5201(10) 0.1176(6) 0.050(3) Uani 1 1 d . . . H5A H 0.2141 0.5886 0.1244 0.060 Uiso 1 1 calc R . . C6 C 0.3262(14) 0.5009(10) 0.0653(7) 0.057(3) Uani 1 1 d . . . H6A H 0.3591 0.5553 0.0347 0.069 Uiso 1 1 calc R . . C7 C 0.3651(12) 0.3995(10) 0.0580(6) 0.047(3) Uani 1 1 d . . . H7A H 0.4277 0.3849 0.0222 0.056 Uiso 1 1 calc R . . C8 C 0.3166(12) 0.3185(9) 0.1004(5) 0.040(3) Uani 1 1 d . . . C9 C 0.2930(11) 0.2038(9) 0.0085(5) 0.037(3) Uani 1 1 d . . . C10 C 0.2131(13) 0.2991(10) -0.0302(6) 0.052(3) Uani 1 1 d . . . H10A H 0.2028 0.3630 -0.0188 0.063 Uiso 1 1 calc R . . C11 C 0.1490(15) 0.2993(11) -0.0855(6) 0.063(4) Uani 1 1 d . . . H11A H 0.0921 0.3637 -0.1106 0.076 Uiso 1 1 calc R . . C12 C 0.1653(14) 0.2103(12) -0.1046(6) 0.060(4) Uani 1 1 d . . . H12A H 0.1214 0.2129 -0.1429 0.072 Uiso 1 1 calc R . . C13 C 0.2457(13) 0.1165(11) -0.0681(5) 0.049(3) Uani 1 1 d . . . H13A H 0.2582 0.0541 -0.0816 0.058 Uiso 1 1 calc R . . C14 C 0.3083(11) 0.1123(9) -0.0123(6) 0.042(3) Uani 1 1 d . . . H14A H 0.3628 0.0467 0.0127 0.050 Uiso 1 1 calc R . . C15 C 0.5611(11) 0.1741(8) 0.0610(5) 0.036(3) Uani 1 1 d . . . C16 C 0.6538(12) 0.1496(9) 0.1103(5) 0.042(3) Uani 1 1 d . . . H16A H 0.6191 0.1387 0.1547 0.051 Uiso 1 1 calc R . . C17 C 0.7986(12) 0.1402(11) 0.0961(6) 0.056(4) Uani 1 1 d . . . H17A H 0.8620 0.1205 0.1310 0.067 Uiso 1 1 calc R . . C18 C 0.8496(13) 0.1594(11) 0.0321(7) 0.057(4) Uani 1 1 d . . . H18A H 0.9474 0.1561 0.0224 0.069 Uiso 1 1 calc R . . C19 C 0.7570(12) 0.1836(9) -0.0184(6) 0.046(3) Uani 1 1 d . . . H19A H 0.7926 0.1943 -0.0627 0.055 Uiso 1 1 calc R . . C20 C 0.6143(11) 0.1923(9) -0.0049(5) 0.039(3) Uani 1 1 d . . . C21 C 0.4179(10) -0.0988(8) 0.1675(5) 0.033(2) Uani 1 1 d . . . C22 C 0.3802(11) -0.1953(9) 0.2130(5) 0.036(3) Uani 1 1 d . . . C23 C 0.4296(12) -0.2899(9) 0.1982(6) 0.045(3) Uani 1 1 d . . . H23A H 0.4889 -0.2958 0.1601 0.054 Uiso 1 1 calc R . . C24 C 0.3926(13) -0.3773(9) 0.2392(6) 0.049(3) Uani 1 1 d . . . H24A H 0.4233 -0.4421 0.2274 0.058 Uiso 1 1 calc R . . C25 C 0.3135(13) -0.3731(10) 0.2961(6) 0.049(3) Uani 1 1 d . . . H25A H 0.2928 -0.4344 0.3249 0.058 Uiso 1 1 calc R . . C26 C 0.2647(12) -0.2779(9) 0.3105(6) 0.044(3) Uani 1 1 d . . . H26A H 0.2106 -0.2734 0.3501 0.053 Uiso 1 1 calc R . . C27 C 0.2928(11) -0.1869(9) 0.2680(5) 0.036(3) Uani 1 1 d . . . C28 C 0.0268(10) -0.0316(9) 0.2861(5) 0.035(3) Uani 1 1 d . . . C29 C -0.0411(11) -0.0827(9) 0.2559(5) 0.037(3) Uani 1 1 d . . . H29A H 0.0126 -0.1380 0.2375 0.044 Uiso 1 1 calc R . . C30 C -0.1875(12) -0.0512(10) 0.2533(6) 0.049(3) Uani 1 1 d . . . H30A H -0.2342 -0.0855 0.2330 0.059 Uiso 1 1 calc R . . C31 C -0.2658(13) 0.0280(11) 0.2793(6) 0.051(3) Uani 1 1 d . . . H31A H -0.3664 0.0491 0.2768 0.062 Uiso 1 1 calc R . . C32 C -0.1991(11) 0.0771(10) 0.3092(6) 0.049(3) Uani 1 1 d . . . H32A H -0.2543 0.1317 0.3279 0.058 Uiso 1 1 calc R . . C33 C -0.0530(11) 0.0487(9) 0.3125(5) 0.043(3) Uani 1 1 d . . . H33A H -0.0079 0.0841 0.3327 0.052 Uiso 1 1 calc R . . C34 C 0.2672(11) -0.0733(8) 0.3662(5) 0.034(2) Uani 1 1 d . . . C35 C 0.1864(13) -0.1139(10) 0.4217(5) 0.049(3) Uani 1 1 d . . . H35A H 0.1040 -0.1342 0.4172 0.059 Uiso 1 1 calc R . . C36 C 0.2330(15) -0.1230(11) 0.4837(6) 0.059(4) Uani 1 1 d . . . H36A H 0.1779 -0.1467 0.5218 0.071 Uiso 1 1 calc R . . C37 C 0.3519(13) -0.0998(11) 0.4912(6) 0.055(3) Uani 1 1 d . . . H37A H 0.3821 -0.1094 0.5341 0.065 Uiso 1 1 calc R . . C38 C 0.4308(13) -0.0618(11) 0.4369(6) 0.053(3) Uani 1 1 d . . . H38A H 0.5156 -0.0453 0.4423 0.064 Uiso 1 1 calc R . . C39 C 0.3877(12) -0.0476(10) 0.3745(6) 0.044(3) Uani 1 1 d . . . H39A H 0.4417 -0.0199 0.3371 0.052 Uiso 1 1 calc R . . C40 C 0.2826(10) 0.1947(8) 0.2622(5) 0.030(2) Uani 1 1 d . . . C41 C 0.3378(11) 0.2602(8) 0.2938(5) 0.031(2) Uani 1 1 d . . . C42 C 0.4663(11) 0.2817(9) 0.2726(5) 0.039(3) Uani 1 1 d . . . H42A H 0.5126 0.2638 0.2340 0.047 Uiso 1 1 calc R . . C43 C 0.5302(12) 0.3296(9) 0.3069(6) 0.042(3) Uani 1 1 d . . . H43A H 0.6193 0.3433 0.2914 0.050 Uiso 1 1 calc R . . C44 C 0.4666(11) 0.3568(9) 0.3620(5) 0.039(3) Uani 1 1 d . . . H44A H 0.5106 0.3890 0.3851 0.047 Uiso 1 1 calc R . . C45 C 0.3360(12) 0.3366(8) 0.3841(5) 0.037(3) Uani 1 1 d . . . H45A H 0.2914 0.3547 0.4229 0.044 Uiso 1 1 calc R . . C46 C 0.2697(11) 0.2906(8) 0.3505(5) 0.031(2) Uani 1 1 d . . . C47 C 0.0795(11) 0.2796(9) 0.4622(5) 0.034(2) Uani 1 1 d . . . C48 C 0.1566(12) 0.1928(9) 0.5050(6) 0.045(3) Uani 1 1 d . . . H48A H 0.2090 0.1338 0.4896 0.055 Uiso 1 1 calc R . . C49 C 0.1594(14) 0.1896(11) 0.5712(6) 0.055(3) Uani 1 1 d . . . H49A H 0.2154 0.1296 0.6006 0.066 Uiso 1 1 calc R . . C50 C 0.0819(14) 0.2726(11) 0.5929(6) 0.054(3) Uani 1 1 d . . . H50A H 0.0833 0.2716 0.6378 0.064 Uiso 1 1 calc R . . C51 C 0.0021(15) 0.3573(10) 0.5505(6) 0.055(4) Uani 1 1 d . . . H51A H -0.0529 0.4148 0.5666 0.066 Uiso 1 1 calc R . . C52 C -0.0021(12) 0.3628(9) 0.4849(5) 0.043(3) Uani 1 1 d . . . H52A H -0.0599 0.4226 0.4561 0.052 Uiso 1 1 calc R . . C53 C -0.0225(11) 0.4058(10) 0.3369(5) 0.040(3) Uani 1 1 d . . . C54 C -0.156(2) 0.4116(17) 0.3238(10) 0.050(5) Uiso 0.67 1 d P A 1 H54A H -0.1887 0.3501 0.3362 0.060 Uiso 0.67 1 calc PR A 1 C55 C -0.243(2) 0.5047(17) 0.2929(11) 0.060(5) Uiso 0.67 1 d P A 1 H55A H -0.3355 0.5063 0.2824 0.072 Uiso 0.67 1 calc PR A 1 C54' C -0.181(4) 0.430(3) 0.3518(19) 0.040(9) Uiso 0.33 1 d P A 2 H54B H -0.2214 0.3771 0.3792 0.049 Uiso 0.33 1 calc PR A 2 C55' C -0.269(5) 0.531(4) 0.326(2) 0.064(11) Uiso 0.33 1 d P A 2 H55B H -0.3657 0.5529 0.3397 0.076 Uiso 0.33 1 calc PR A 2 C56 C -0.2021(15) 0.5981(12) 0.2760(8) 0.077(5) Uani 1 1 d . . . H56A H -0.2685 0.6648 0.2625 0.093 Uiso 0.67 1 calc PR A 1 H56B H -0.2550 0.6512 0.2417 0.093 Uiso 0.33 1 d PR A 2 C57 C -0.0621(13) 0.5884(11) 0.2800(6) 0.051(3) Uani 1 1 d . A . H57A H -0.0248 0.6472 0.2611 0.061 Uiso 1 1 calc R . . C58 C 0.0274(12) 0.4931(10) 0.3116(6) 0.045(3) Uani 1 1 d . A . H58A H 0.1246 0.4882 0.3157 0.054 Uiso 1 1 calc R . . C59 C -0.165(2) 0.3568(16) 0.1337(10) 0.127(8) Uiso 1 1 d D . . H59A H -0.1191 0.3607 0.1718 0.153 Uiso 0.67 1 calc PR B 1 H59B H -0.1618 0.2823 0.1389 0.153 Uiso 0.67 1 calc PR B 1 H59C H -0.2502 0.3428 0.1210 0.153 Uiso 0.33 1 d PR B 2 H59D H -0.1051 0.2888 0.1586 0.153 Uiso 0.33 1 d PR B 2 Cl1 Cl -0.0756(5) 0.4032(4) 0.0618(2) 0.1009(15) Uani 1 1 d . C . Cl2 Cl -0.3454(6) 0.4335(7) 0.1317(3) 0.097(2) Uani 0.67 1 d P C 1 Cl2' Cl -0.2189(17) 0.4383(12) 0.1824(8) 0.105(5) Uiso 0.33 1 d PD C 2 O5 O 0.626(3) -0.559(2) 0.5130(14) 0.125(10) Uiso 0.50 1 d PD . . C60 C 0.492(5) -0.389(5) 0.449(3) 0.18(3) Uiso 0.50 1 d PD . . H60A H 0.6436 -0.3036 0.4041 0.275 Uiso 0.50 1 d P . . H60B H 0.5963 -0.3744 0.3691 0.275 Uiso 0.50 1 d P . . H60C H 0.4895 -0.3185 0.4169 0.275 Uiso 0.50 1 d P . . C61 C 0.648(4) -0.457(2) 0.4704(17) 0.092(11) Uiso 0.50 1 d PD . . H61A H 0.7406 -0.4707 0.4565 0.110 Uiso 0.50 1 d P . . H61B H 0.6375 -0.4168 0.5026 0.110 Uiso 0.50 1 d P . . C62 C 0.470(3) -0.541(4) 0.530(3) 0.15(2) Uiso 0.50 1 d PD . . H62A H 0.4204 -0.4911 0.4924 0.179 Uiso 0.50 1 d P . . H62B H 0.4549 -0.4946 0.5631 0.179 Uiso 0.50 1 d P . . C63 C 0.400(6) -0.625(4) 0.566(2) 0.135(17) Uiso 0.50 1 d PD . . H63A H 0.3402 -0.6238 0.5686 0.203 Uiso 0.50 1 d P . . H63B H 0.4602 -0.6731 0.5226 0.203 Uiso 0.50 1 d P . . H63C H 0.4949 -0.6766 0.5937 0.203 Uiso 0.50 1 d P . . 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 W 0.0269(3) 0.0332(3) 0.0240(3) -0.00864(17) 0.00185(14) -0.00393(17) P1 0.0342(15) 0.0372(17) 0.0270(14) -0.0099(12) 0.0037(11) -0.0068(13) P2 0.0269(14) 0.0356(16) 0.0299(14) -0.0071(12) -0.0016(11) -0.0060(12) P3 0.0342(15) 0.0449(18) 0.0307(14) -0.0136(13) 0.0050(11) -0.0148(13) O1 0.037(4) 0.064(6) 0.056(5) -0.032(5) -0.007(4) -0.011(4) O2 0.030(4) 0.030(4) 0.029(4) -0.017(3) 0.002(3) -0.007(3) O3 0.032(4) 0.035(4) 0.047(4) -0.018(4) 0.007(3) -0.005(3) O4 0.029(4) 0.043(5) 0.032(4) -0.016(3) 0.005(3) -0.006(3) C1 0.023(5) 0.031(6) 0.034(6) -0.003(5) 0.016(4) 0.000(5) C2 0.035(6) 0.028(6) 0.027(5) -0.005(4) 0.003(4) -0.007(5) C3 0.035(6) 0.036(7) 0.037(6) -0.009(5) -0.001(5) -0.005(5) C4 0.056(7) 0.045(8) 0.027(6) -0.008(5) 0.006(5) -0.011(6) C5 0.064(8) 0.033(7) 0.051(7) -0.017(6) 0.005(6) -0.003(6) C6 0.066(9) 0.041(8) 0.058(8) -0.009(6) 0.002(7) -0.008(7) C7 0.038(6) 0.051(8) 0.045(7) -0.009(6) 0.010(5) -0.011(6) C8 0.046(7) 0.033(6) 0.036(6) -0.007(5) -0.004(5) -0.002(5) C9 0.032(6) 0.043(7) 0.033(6) -0.014(5) 0.010(4) -0.006(5) C10 0.062(8) 0.045(8) 0.045(7) -0.014(6) 0.000(6) -0.006(6) C11 0.080(10) 0.050(9) 0.040(7) -0.004(6) -0.024(7) 0.013(7) C12 0.067(9) 0.077(10) 0.027(6) -0.009(7) -0.005(6) -0.006(8) C13 0.060(8) 0.061(9) 0.026(6) -0.014(6) 0.012(5) -0.022(7) C14 0.038(6) 0.040(7) 0.045(7) -0.021(6) 0.003(5) 0.002(5) C15 0.045(6) 0.024(6) 0.031(6) -0.007(5) 0.003(5) 0.003(5) C16 0.046(7) 0.050(8) 0.028(6) -0.009(5) 0.008(5) -0.012(6) C17 0.034(6) 0.087(11) 0.044(7) -0.015(7) 0.001(5) -0.017(7) C18 0.032(6) 0.065(9) 0.068(9) -0.011(7) 0.013(6) -0.014(6) C19 0.049(7) 0.049(8) 0.037(6) -0.011(6) 0.016(5) -0.015(6) C20 0.035(6) 0.039(7) 0.036(6) -0.004(5) 0.017(5) -0.013(5) C21 0.026(5) 0.035(6) 0.038(6) -0.015(5) -0.001(4) -0.001(5) C22 0.033(6) 0.034(6) 0.032(6) -0.002(5) -0.005(4) -0.001(5) C23 0.046(7) 0.038(7) 0.050(7) -0.018(6) -0.009(5) -0.003(6) C24 0.053(7) 0.029(7) 0.068(9) -0.017(6) -0.022(6) -0.003(6) C25 0.057(8) 0.037(7) 0.054(8) -0.005(6) -0.012(6) -0.019(6) C26 0.036(6) 0.049(8) 0.047(7) -0.006(6) -0.001(5) -0.016(6) C27 0.034(6) 0.038(7) 0.038(6) -0.011(5) -0.002(5) -0.009(5) C28 0.025(5) 0.041(7) 0.031(6) -0.003(5) -0.003(4) -0.001(5) C29 0.035(6) 0.045(7) 0.030(6) -0.002(5) -0.003(4) -0.016(5) C30 0.045(7) 0.060(9) 0.040(7) -0.002(6) -0.009(5) -0.020(6) C31 0.034(6) 0.074(10) 0.039(7) -0.006(6) -0.004(5) -0.011(7) C32 0.024(6) 0.057(8) 0.053(7) -0.006(6) 0.004(5) -0.003(5) C33 0.037(6) 0.046(7) 0.043(7) -0.007(6) 0.003(5) -0.012(6) C34 0.036(6) 0.031(6) 0.036(6) -0.009(5) -0.003(5) -0.005(5) C35 0.049(7) 0.064(9) 0.032(6) -0.005(6) 0.002(5) -0.019(6) C36 0.078(10) 0.077(10) 0.026(6) -0.013(6) 0.007(6) -0.030(8) C37 0.051(8) 0.080(10) 0.031(6) -0.010(6) -0.006(5) -0.018(7) C38 0.046(7) 0.063(9) 0.057(8) -0.018(7) -0.016(6) -0.015(7) C39 0.035(6) 0.058(8) 0.041(7) -0.014(6) 0.001(5) -0.017(6) C40 0.026(5) 0.032(6) 0.030(5) -0.012(5) -0.006(4) 0.001(4) C41 0.037(6) 0.027(6) 0.029(5) -0.007(4) -0.001(4) -0.006(5) C42 0.031(6) 0.045(7) 0.039(6) -0.011(5) 0.008(5) -0.008(5) C43 0.035(6) 0.040(7) 0.056(7) -0.011(6) -0.001(5) -0.019(5) C44 0.037(6) 0.045(7) 0.038(6) -0.013(5) -0.010(5) -0.008(5) C45 0.044(6) 0.036(6) 0.034(6) -0.013(5) -0.004(5) -0.010(5) C46 0.034(6) 0.030(6) 0.033(6) -0.011(5) 0.004(4) -0.016(5) C47 0.031(6) 0.045(7) 0.029(5) -0.014(5) 0.005(4) -0.012(5) C48 0.037(6) 0.043(7) 0.048(7) -0.003(6) 0.003(5) -0.010(6) C49 0.059(8) 0.062(9) 0.036(7) 0.009(6) -0.003(6) -0.025(7) C50 0.071(9) 0.074(10) 0.026(6) -0.017(7) 0.006(6) -0.035(8) C51 0.085(10) 0.049(8) 0.038(7) -0.022(6) 0.025(7) -0.028(7) C52 0.052(7) 0.042(7) 0.034(6) -0.010(5) 0.014(5) -0.015(6) C53 0.032(6) 0.053(8) 0.039(6) -0.013(6) -0.004(5) -0.016(5) C56 0.053(9) 0.060(10) 0.113(13) 0.001(9) -0.034(8) -0.018(8) C57 0.053(8) 0.056(8) 0.045(7) -0.020(6) 0.008(6) -0.010(7) C58 0.036(6) 0.055(8) 0.047(7) -0.019(6) 0.004(5) -0.014(6) Cl1 0.085(3) 0.115(4) 0.079(3) -0.017(3) 0.005(2) -0.001(3) Cl2 0.062(4) 0.169(7) 0.054(3) -0.015(4) 0.005(3) -0.040(4)