#------------------------------------------------------------------------------ #$Date: 2009-11-16 03:43:51 +0200 (Mon, 16 Nov 2009) $ #$Revision: 853 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/1100990.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_1100990 _[local]_cod_duplicate_entry 8000014 _journal_name_full 'Chemistry Letters' _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _[local]_cod_cif_authors_sg_H-M 'P 21/n' loop_ _publ_author_name 'Kazuo Eda' 'Yuichi Iriki' _chemical_formula_moiety 'Mo36 O126, 4(C3 N2), 36(O)' _chemical_formula_sum 'C12 Mo36 N8 O162' _chemical_formula_weight 6302.04 _symmetry_cell_setting Monoclinic 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 14.2137(15) _cell_length_b 28.849(3) _cell_length_c 19.059(2) _cell_angle_alpha 90.00 _cell_angle_beta 107.455(2) _cell_angle_gamma 90.00 _cell_volume 7455.2(14) _cell_formula_units_Z 2 _cell_measurement_temperature 193(2) _cell_measurement_reflns_used 6880 _cell_measurement_theta_min 2.349 _cell_measurement_theta_max 27.361 _exptl_crystal_description ? _exptl_crystal_colour colorless _exptl_crystal_size_max 0.12 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.05 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.807 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 5872 _exptl_absorpt_coefficient_mu 3.046 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.5721 _exptl_absorpt_correction_T_max 0.8626 _exptl_absorpt_process_details 'program SADABS ver. 2.03(Sheldrick)' _diffrn_ambient_temperature 193(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 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 42627 _diffrn_reflns_av_R_equivalents 0.0556 _diffrn_reflns_av_sigmaI/netI 0.0720 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_k_min -37 _diffrn_reflns_limit_k_max 37 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_limit_l_max 24 _diffrn_reflns_theta_min 1.66 _diffrn_reflns_theta_max 27.48 _reflns_number_total 15490 _reflns_number_gt 10968 _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^)+(0.0609P)^2^+60.8314P] 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 undef _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 15490 _refine_ls_number_parameters 982 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0830 _refine_ls_R_factor_gt 0.0509 _refine_ls_wR_factor_ref 0.1358 _refine_ls_wR_factor_gt 0.1176 _refine_ls_goodness_of_fit_ref 1.062 _refine_ls_restrained_S_all 1.062 _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 Mo11 Mo 0.57169(6) 0.13343(3) 0.87936(4) 0.01085(17) Uani 1 1 d . . . Mo12 Mo 0.32922(6) 0.09448(3) 0.71955(4) 0.01054(17) Uani 1 1 d . . . Mo13 Mo 0.38209(6) -0.02982(3) 0.67189(4) 0.01143(17) Uani 1 1 d . . . Mo14 Mo 0.61392(6) -0.07676(3) 0.80855(4) 0.01176(18) Uani 1 1 d . . . Mo15 Mo 0.75308(6) 0.02885(3) 0.91746(4) 0.01241(18) Uani 1 1 d . . . Mo16 Mo 0.51335(6) 0.02799(3) 0.81791(4) 0.01042(17) Uani 1 1 d . . . Mo17 Mo 0.84437(6) 0.14170(3) 1.00535(4) 0.01422(18) Uani 1 1 d . . . Mo18 Mo 0.16357(6) 0.02691(3) 0.54719(4) 0.01247(18) Uani 1 1 d . . . Mo21 Mo 0.60694(6) 0.21635(3) 0.77384(4) 0.01047(17) Uani 1 1 d . . . Mo22 Mo 0.36492(6) 0.17639(3) 0.61374(4) 0.01046(17) Uani 1 1 d . . . Mo23 Mo 0.45779(6) 0.14096(3) 0.45089(4) 0.01119(17) Uani 1 1 d . . . Mo24 Mo 0.72701(6) 0.17230(3) 0.49204(4) 0.01290(18) Uani 1 1 d . . . Mo25 Mo 0.82745(6) 0.20411(3) 0.69302(4) 0.01275(18) Uani 1 1 d . . . Mo26 Mo 0.58504(6) 0.19848(3) 0.59970(4) 0.01028(17) Uani 1 1 d . . . Mo27 Mo 0.88370(6) 0.22515(3) 0.89393(4) 0.01181(18) Uani 1 1 d . . . Mo28 Mo 0.19781(6) 0.11405(3) 0.43987(4) 0.01259(18) Uani 1 1 d . . . Mo31 Mo 0.56309(6) 0.10568(3) 0.70078(4) 0.00968(17) Uani 1 1 d . . . Mo41 Mo 0.57646(6) 0.15993(3) 0.29482(4) 0.01208(18) Uani 1 1 d . . . O101 O 0.4772(5) 0.0970(2) 0.7892(3) 0.0138(14) Uani 1 1 d . . . O201 O 0.5136(5) 0.1839(2) 0.6770(3) 0.0124(14) Uani 1 1 d . . . O102 O 0.3883(5) 0.0312(2) 0.7322(3) 0.0123(14) Uani 1 1 d . . . O202 O 0.4496(5) 0.1717(2) 0.5496(3) 0.0139(14) Uani 1 1 d . . . O103 O 0.4894(5) -0.0335(2) 0.7703(3) 0.0130(14) Uani 1 1 d . . . O203 O 0.5811(4) 0.1781(2) 0.4998(3) 0.0108(13) Uani 1 1 d . . . O104 O 0.6357(4) -0.0108(2) 0.8561(3) 0.0112(13) Uani 1 1 d . . . O204 O 0.7232(5) 0.2004(2) 0.5919(3) 0.0139(14) Uani 1 1 d . . . O105 O 0.6186(5) 0.0690(2) 0.8803(3) 0.0119(14) Uani 1 1 d . . . O205 O 0.6786(5) 0.2099(2) 0.7003(3) 0.0134(14) Uani 1 1 d . . . O106 O 0.6832(5) 0.1496(2) 0.9407(3) 0.0144(14) Uani 1 1 d . . . O206 O 0.7162(5) 0.2285(2) 0.8426(3) 0.0148(14) Uani 1 1 d . . . O107 O 0.8052(5) 0.0789(2) 0.9792(3) 0.0172(15) Uani 1 1 d . . . O207 O 0.8657(5) 0.2244(2) 0.7909(3) 0.0176(15) Uani 1 1 d . . . O108 O 0.2331(5) 0.0756(2) 0.6439(3) 0.0143(14) Uani 1 1 d . . . O208 O 0.2672(5) 0.1528(2) 0.5454(3) 0.0152(14) Uani 1 1 d . . . O109 O 0.2591(5) -0.0118(2) 0.6147(3) 0.0156(14) Uani 1 1 d . . . O209 O 0.3230(5) 0.1319(2) 0.4277(3) 0.0174(15) Uani 1 1 d . . . O111 O 0.4939(5) 0.1300(2) 0.9303(4) 0.0175(15) Uani 1 1 d . . . O211 O 0.5486(5) 0.2683(2) 0.7510(4) 0.0190(15) Uani 1 1 d . . . O012 O 0.6387(5) 0.1385(2) 0.7839(4) 0.0146(14) Uani 1 1 d . . . O013 O 0.5287(5) 0.1906(2) 0.8303(3) 0.0160(15) Uani 1 1 d . . . O121 O 0.2803(5) 0.0967(2) 0.7897(4) 0.0190(15) Uani 1 1 d . . . O221 O 0.3421(5) 0.2334(2) 0.6120(3) 0.0147(14) Uani 1 1 d . . . O022 O 0.4286(5) 0.1030(2) 0.6460(3) 0.0123(14) Uani 1 1 d . . . O023 O 0.3320(5) 0.1593(2) 0.7000(3) 0.0149(14) Uani 1 1 d . . . O131 O 0.2827(5) -0.0482(3) 0.7542(4) 0.0222(16) Uani 1 1 d . . . O132 O 0.4518(5) -0.0130(3) 0.6199(4) 0.0204(16) Uani 1 1 d . . . O232 O 0.5001(5) 0.0885(2) 0.4849(4) 0.0207(16) Uani 1 1 d . . . O133 O 0.3814(5) -0.0895(2) 0.6643(4) 0.0196(16) Uani 1 1 d . . . O233 O 0.4814(5) 0.1438(2) 0.3677(3) 0.0158(14) Uani 1 1 d . . . O141 O 0.5454(6) -0.0884(3) 0.9050(4) 0.0237(17) Uani 1 1 d . . . O241 O 0.6882(5) 0.2523(2) 0.4653(4) 0.0187(15) Uani 1 1 d . . . O142 O 0.6566(6) -0.0669(2) 0.7370(4) 0.0238(17) Uani 1 1 d . . . O242 O 0.7394(6) 0.1157(3) 0.5183(4) 0.0256(17) Uani 1 1 d . . . O143 O 0.7153(5) -0.0989(2) 0.8729(4) 0.0219(16) Uani 1 1 d . . . O243 O 0.8471(5) 0.1891(2) 0.5065(3) 0.0183(15) Uani 1 1 d . . . O144 O 0.5334(5) -0.1279(2) 0.7732(3) 0.0161(15) Uani 1 1 d . . . O244 O 0.6738(5) 0.1704(2) 0.3916(3) 0.0147(14) Uani 1 1 d . . . O151 O 0.6751(5) 0.0146(3) 1.0054(4) 0.0233(17) Uani 1 1 d . . . O251 O 0.7903(6) 0.2839(2) 0.6711(4) 0.0253(17) Uani 1 1 d . . . O152 O 0.7926(5) 0.0429(2) 0.8448(4) 0.0191(15) Uani 1 1 d . . . O252 O 0.8367(6) 0.1469(3) 0.7056(4) 0.0264(18) Uani 1 1 d . . . O153 O 0.8255(5) -0.0170(2) 0.9557(4) 0.0203(16) Uani 1 1 d . . . O253 O 0.9240(6) 0.2167(3) 0.6616(4) 0.0290(19) Uani 1 1 d . . . O161 O 0.4565(5) 0.0207(2) 0.8808(3) 0.0166(15) Uani 1 1 d . . . O261 O 0.5518(5) 0.2534(2) 0.5831(3) 0.0172(15) Uani 1 1 d . . . O162 O 0.5899(5) 0.0481(2) 0.7261(3) 0.0130(14) Uani 1 1 d . . . O262 O 0.6197(5) 0.1195(2) 0.6356(3) 0.0125(14) Uani 1 1 d . . . O171 O 0.8154(6) 0.1477(3) 1.0850(4) 0.0285(18) Uani 1 1 d . . . O271 O 0.8930(5) 0.2832(2) 0.9123(4) 0.0179(15) Uani 1 1 d . . . O072 O 0.8445(5) 0.1442(2) 0.8770(3) 0.0127(14) Uani 1 1 d . . . O173 O 0.9686(5) 0.1352(2) 1.0325(4) 0.0256(17) Uani 1 1 d . . . O273 O 1.0019(5) 0.2065(2) 0.9220(3) 0.0193(16) Uani 1 1 d . . . O074 O 0.8397(5) 0.2053(2) 0.9736(4) 0.0181(15) Uani 1 1 d . . . O181 O 0.0631(5) 0.0173(2) 0.5755(4) 0.0227(16) Uani 1 1 d . . . O281 O 0.1253(5) 0.1604(2) 0.4049(4) 0.0213(16) Uani 1 1 d . . . O082 O 0.3084(5) 0.0557(2) 0.5185(3) 0.0126(14) Uani 1 1 d . . . O183 O 0.1491(5) -0.0072(2) 0.4725(4) 0.0219(16) Uani 1 1 d . . . O283 O 0.1701(5) 0.0749(2) 0.3708(4) 0.0214(16) Uani 1 1 d . . . O084 O 0.1281(5) 0.0864(2) 0.5009(3) 0.0143(14) Uani 1 1 d . . . O411 O 0.5338(6) 0.2152(2) 0.2829(4) 0.0250(17) Uani 1 1 d . . . O413 O 0.6541(6) 0.1579(2) 0.2436(4) 0.0237(17) Uani 1 1 d . . . N100 N 0.7789(7) 0.0003(3) 0.7076(5) 0.022(2) Uani 1 1 d . . . C101 C 0.8274(8) 0.0431(4) 0.6893(6) 0.024(2) Uani 1 1 d . . . C102 C 0.9370(8) 0.0325(4) 0.6995(6) 0.025(2) Uani 1 1 d . . . C103 C 0.9919(9) 0.0746(4) 0.6881(6) 0.028(3) Uani 1 1 d . . . N104 N 0.9496(7) 0.0944(3) 0.6111(5) 0.024(2) Uani 1 1 d . . . N200 N 0.3245(8) 0.3005(3) 0.7177(5) 0.030(2) Uani 1 1 d . . . C201 C 0.3108(9) 0.2615(4) 0.7695(6) 0.030(3) Uani 1 1 d . . . C202 C 0.3774(9) 0.2710(4) 0.8457(6) 0.027(3) Uani 1 1 d . . . C203 C 0.3672(9) 0.2291(4) 0.8914(7) 0.031(3) Uani 1 1 d . . . N204 N 0.4399(7) 0.2349(4) 0.9670(5) 0.035(3) Uani 1 1 d . . . O01W O 0.6471(6) 0.2506(3) 0.9772(4) 0.0275(18) Uani 1 1 d . . . O02W O 0.6182(6) 0.0051(3) 0.5578(4) 0.0263(17) Uani 1 1 d . . . O03W O 0.5467(6) 0.8105(3) 0.9035(4) 0.034(2) Uani 1 1 d . . . O04W O 0.3499(6) 0.9168(3) 0.8980(4) 0.0278(18) Uani 1 1 d . . . O05W O 0.9832(6) 0.0975(3) 0.8582(4) 0.0305(18) Uani 1 1 d . . . O06W O 0.3276(5) 0.0768(3) 0.9556(4) 0.0231(17) Uani 1 1 d . . . O07W O 0.9496(6) 0.9923(3) 0.1043(4) 0.040(2) Uani 1 1 d . . . O08W O 0.6687(6) 0.3321(3) 0.5484(4) 0.0267(18) Uani 1 1 d . . . O09W O 0.1360(7) 0.2599(4) 0.6203(5) 0.053(3) Uani 1 1 d . . . O10W O 0.6041(6) 0.4481(3) 0.6647(5) 0.035(2) Uani 1 1 d . . . O11W O 0.1697(6) 0.1354(3) 0.9056(4) 0.0332(19) Uani 1 1 d . . . O12W O 0.2404(7) 0.1633(3) 0.2729(4) 0.037(2) Uani 1 1 d . . . O13W O 0.1836(7) 0.0137(3) 0.8114(5) 0.043(2) Uani 1 1 d . . . O14W O 0.1227(7) 0.1913(3) 0.7835(5) 0.049(2) Uani 1 1 d . . . O15W O 0.1230(7) 0.8889(3) 0.7107(5) 0.046(2) Uani 1 1 d . . . O16W O 0.5268(7) 0.3695(3) 0.7092(5) 0.051(3) Uani 1 1 d . . . O17W O 0.9235(8) 0.1049(4) 0.4392(6) 0.072(4) Uani 1 1 d . . . O18W O 0.0893(8) 0.1635(3) 0.6166(6) 0.058(3) Uani 1 1 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 Mo11 0.0129(4) 0.0066(4) 0.0122(4) -0.0005(3) 0.0023(3) -0.0002(3) Mo12 0.0113(4) 0.0070(4) 0.0126(4) 0.0003(3) 0.0026(3) 0.0006(3) Mo13 0.0130(4) 0.0065(4) 0.0126(4) -0.0007(3) 0.0006(3) 0.0007(3) Mo14 0.0125(4) 0.0061(4) 0.0150(4) -0.0002(3) 0.0015(3) 0.0002(3) Mo15 0.0131(4) 0.0081(4) 0.0136(4) -0.0007(3) 0.0003(3) -0.0003(3) Mo16 0.0110(4) 0.0064(4) 0.0119(4) -0.0001(3) 0.0004(3) 0.0002(3) Mo17 0.0177(5) 0.0093(4) 0.0123(4) -0.0005(3) -0.0005(3) -0.0031(3) Mo18 0.0101(4) 0.0105(4) 0.0145(4) 0.0005(3) 0.0003(3) -0.0002(3) Mo21 0.0124(4) 0.0069(4) 0.0114(4) -0.0009(3) 0.0024(3) -0.0013(3) Mo22 0.0108(4) 0.0084(4) 0.0114(4) 0.0003(3) 0.0022(3) 0.0012(3) Mo23 0.0123(4) 0.0091(4) 0.0118(4) -0.0021(3) 0.0031(3) -0.0007(3) Mo24 0.0126(4) 0.0122(4) 0.0129(4) -0.0016(3) 0.0025(3) 0.0006(3) Mo25 0.0120(4) 0.0122(4) 0.0124(4) -0.0017(3) 0.0011(3) -0.0004(3) Mo26 0.0109(4) 0.0086(4) 0.0103(4) 0.0003(3) 0.0015(3) -0.0006(3) Mo27 0.0129(4) 0.0091(4) 0.0118(4) -0.0014(3) 0.0012(3) -0.0026(3) Mo28 0.0113(4) 0.0118(4) 0.0131(4) -0.0005(3) 0.0012(3) -0.0005(3) Mo31 0.0106(4) 0.0061(4) 0.0110(4) -0.0005(3) 0.0012(3) -0.0001(3) Mo41 0.0148(4) 0.0072(4) 0.0130(4) 0.0002(3) 0.0023(3) -0.0015(3) O101 0.014(3) 0.007(3) 0.016(3) 0.001(3) -0.002(3) 0.000(3) O201 0.014(3) 0.011(3) 0.010(3) -0.005(2) -0.001(3) -0.004(3) O102 0.014(3) 0.009(3) 0.011(3) 0.000(2) 0.001(3) -0.003(3) O202 0.008(3) 0.015(4) 0.014(3) 0.004(3) -0.003(3) 0.002(3) O103 0.017(4) 0.004(3) 0.014(3) -0.001(2) 0.000(3) 0.001(3) O203 0.006(3) 0.011(3) 0.014(3) -0.003(3) 0.002(3) 0.001(3) O104 0.008(3) 0.003(3) 0.018(3) 0.000(2) -0.003(3) 0.003(3) O204 0.012(3) 0.015(4) 0.014(3) 0.000(3) 0.003(3) -0.002(3) O105 0.017(4) 0.004(3) 0.012(3) 0.001(2) 0.000(3) -0.001(3) O205 0.009(3) 0.012(3) 0.018(3) 0.002(3) 0.004(3) -0.002(3) O106 0.014(3) 0.008(3) 0.018(3) -0.003(3) 0.000(3) 0.000(3) O206 0.014(3) 0.018(4) 0.013(3) 0.000(3) 0.004(3) 0.001(3) O107 0.018(4) 0.015(4) 0.015(3) 0.001(3) 0.000(3) -0.001(3) O207 0.016(4) 0.020(4) 0.015(3) -0.006(3) 0.002(3) -0.005(3) O108 0.018(4) 0.003(3) 0.021(3) 0.003(3) 0.006(3) 0.001(3) O208 0.015(4) 0.013(4) 0.018(3) -0.002(3) 0.006(3) 0.000(3) O109 0.015(4) 0.007(3) 0.020(3) 0.000(3) -0.002(3) 0.002(3) O209 0.016(4) 0.022(4) 0.014(3) 0.003(3) 0.003(3) -0.001(3) O111 0.025(4) 0.003(3) 0.021(4) -0.001(3) 0.002(3) 0.004(3) O211 0.024(4) 0.011(4) 0.022(4) 0.007(3) 0.008(3) 0.001(3) O012 0.018(4) 0.006(3) 0.023(4) 0.003(3) 0.010(3) 0.001(3) O013 0.018(4) 0.013(4) 0.017(3) -0.005(3) 0.006(3) -0.002(3) O121 0.017(4) 0.012(4) 0.026(4) 0.002(3) 0.002(3) 0.004(3) O221 0.011(3) 0.012(4) 0.022(4) 0.003(3) 0.007(3) 0.004(3) O022 0.015(3) 0.006(3) 0.015(3) 0.000(2) 0.002(3) 0.002(3) O023 0.015(4) 0.011(3) 0.017(3) -0.005(3) 0.002(3) 0.005(3) O131 0.023(4) 0.025(4) 0.019(4) 0.003(3) 0.005(3) 0.000(3) O132 0.016(4) 0.026(4) 0.017(3) -0.005(3) 0.003(3) -0.002(3) O232 0.018(4) 0.017(4) 0.024(4) 0.002(3) 0.002(3) 0.005(3) O133 0.018(4) 0.019(4) 0.018(4) -0.001(3) -0.001(3) 0.000(3) O233 0.013(3) 0.016(4) 0.019(3) -0.003(3) 0.007(3) -0.002(3) O141 0.030(4) 0.023(4) 0.021(4) -0.005(3) 0.010(3) -0.005(3) O241 0.018(4) 0.015(4) 0.022(4) 0.007(3) 0.004(3) 0.001(3) O142 0.031(4) 0.013(4) 0.030(4) -0.001(3) 0.013(3) 0.000(3) O242 0.029(4) 0.021(4) 0.024(4) -0.001(3) 0.004(3) 0.004(3) O143 0.019(4) 0.015(4) 0.026(4) 0.000(3) -0.001(3) 0.002(3) O243 0.014(4) 0.023(4) 0.016(3) -0.005(3) 0.002(3) 0.003(3) O144 0.025(4) 0.008(3) 0.014(3) -0.002(3) 0.004(3) -0.002(3) O244 0.019(4) 0.008(3) 0.017(3) -0.004(3) 0.006(3) -0.001(3) O151 0.029(4) 0.022(4) 0.020(4) 0.003(3) 0.009(3) 0.002(3) O251 0.035(5) 0.013(4) 0.028(4) 0.003(3) 0.008(3) -0.001(3) O152 0.013(4) 0.022(4) 0.022(4) -0.008(3) 0.005(3) -0.003(3) O252 0.029(4) 0.017(4) 0.029(4) -0.003(3) 0.003(3) 0.003(3) O153 0.023(4) 0.007(3) 0.025(4) -0.002(3) -0.001(3) 0.001(3) O253 0.024(4) 0.046(5) 0.016(4) -0.001(3) 0.005(3) 0.000(4) O161 0.014(4) 0.011(3) 0.019(3) -0.005(3) -0.004(3) 0.001(3) O261 0.021(4) 0.015(4) 0.016(3) 0.003(3) 0.005(3) -0.003(3) O162 0.016(4) 0.006(3) 0.015(3) -0.003(3) 0.003(3) 0.000(3) O262 0.009(3) 0.010(3) 0.015(3) -0.008(3) -0.001(3) 0.000(3) O171 0.045(5) 0.017(4) 0.024(4) -0.001(3) 0.012(4) -0.005(4) O271 0.023(4) 0.014(4) 0.017(3) -0.001(3) 0.006(3) -0.003(3) O072 0.019(4) 0.002(3) 0.019(3) -0.003(2) 0.008(3) -0.004(3) O173 0.023(4) 0.018(4) 0.027(4) 0.001(3) -0.005(3) 0.000(3) O273 0.017(4) 0.018(4) 0.016(3) -0.003(3) -0.006(3) -0.002(3) O074 0.016(4) 0.019(4) 0.018(3) -0.009(3) 0.004(3) -0.001(3) O181 0.027(4) 0.018(4) 0.025(4) 0.003(3) 0.011(3) 0.007(3) O281 0.030(4) 0.016(4) 0.017(4) 0.000(3) 0.006(3) 0.005(3) O082 0.011(3) 0.011(3) 0.013(3) 0.004(3) -0.002(3) -0.001(3) O183 0.021(4) 0.018(4) 0.022(4) -0.002(3) -0.001(3) -0.001(3) O283 0.025(4) 0.013(4) 0.025(4) -0.006(3) 0.005(3) -0.005(3) O084 0.008(3) 0.020(4) 0.015(3) -0.002(3) 0.004(3) 0.001(3) O411 0.030(4) 0.011(4) 0.031(4) -0.003(3) 0.004(3) -0.008(3) O413 0.036(5) 0.022(4) 0.011(3) -0.003(3) 0.003(3) -0.008(3) N100 0.022(5) 0.008(4) 0.038(5) -0.009(4) 0.011(4) -0.012(4) C101 0.024(6) 0.015(5) 0.037(6) 0.005(5) 0.016(5) 0.003(5) C102 0.029(6) 0.021(6) 0.022(5) -0.010(4) 0.002(5) -0.006(5) C103 0.029(6) 0.028(7) 0.027(6) -0.009(5) 0.010(5) -0.011(5) N104 0.020(5) 0.024(5) 0.030(5) 0.000(4) 0.009(4) -0.003(4) N200 0.045(6) 0.027(5) 0.024(5) 0.001(4) 0.016(5) 0.010(5) C201 0.039(7) 0.028(7) 0.020(6) 0.004(5) 0.003(5) 0.001(5) C202 0.035(7) 0.018(6) 0.029(6) 0.002(5) 0.015(5) 0.004(5) C203 0.025(6) 0.033(7) 0.039(7) 0.008(5) 0.016(5) 0.008(5) N204 0.034(6) 0.040(6) 0.037(6) 0.022(5) 0.019(5) 0.021(5) O01W 0.032(5) 0.025(4) 0.029(4) 0.001(3) 0.014(4) -0.007(4) O02W 0.028(4) 0.024(4) 0.029(4) -0.011(3) 0.011(3) -0.002(3) O03W 0.047(5) 0.026(5) 0.030(4) 0.007(3) 0.014(4) 0.003(4) O04W 0.035(5) 0.024(4) 0.028(4) -0.001(3) 0.015(4) 0.004(4) O05W 0.027(4) 0.024(4) 0.041(5) -0.004(4) 0.011(4) -0.002(4) O06W 0.030(4) 0.024(4) 0.018(4) 0.004(3) 0.011(3) -0.003(3) O07W 0.037(5) 0.044(6) 0.033(5) 0.007(4) 0.004(4) 0.001(4) O08W 0.028(4) 0.023(4) 0.028(4) -0.004(3) 0.006(3) -0.001(3) O09W 0.050(6) 0.064(7) 0.043(6) -0.008(5) 0.012(5) 0.001(5) O10W 0.033(5) 0.026(5) 0.049(5) -0.002(4) 0.017(4) -0.002(4) O11W 0.035(5) 0.033(5) 0.032(4) 0.003(4) 0.010(4) 0.008(4) O12W 0.047(6) 0.036(5) 0.030(4) 0.008(4) 0.013(4) 0.003(4) O13W 0.047(6) 0.030(5) 0.059(6) -0.004(4) 0.026(5) -0.007(4) O14W 0.060(7) 0.029(5) 0.050(6) 0.011(4) 0.006(5) 0.002(5) O15W 0.041(6) 0.027(5) 0.066(6) 0.001(4) 0.011(5) 0.001(4) O16W 0.060(7) 0.029(5) 0.055(6) 0.012(4) 0.003(5) -0.003(5) O17W 0.040(6) 0.110(10) 0.068(7) 0.043(7) 0.021(5) 0.024(6) O18W 0.050(6) 0.042(6) 0.090(8) 0.005(5) 0.033(6) -0.002(5)