#------------------------------------------------------------------------------ #$Date: 2016-04-03 01:53:59 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181115 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/95/2219505.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2219505_Fobs loop_ _publ_author_name 'Ohi, Hiromi' 'Shimizu, Mayumi' 'Obata, Makoto' 'Funabiki, Takuzo' 'Yano, Shigenobu' _publ_section_title ; Poly[[{\m~3~-tris[2-(4-phenyl-1,2,3-triazol-1-yl)ethyl]amine}silver(I)] hexafluoridophosphate] ; _journal_coeditor_code BT2780 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1256 _journal_page_last m1257 _journal_volume 64 _journal_year 2008 _chemical_formula_moiety 'C30 H30 Ag N10, F6 P ' _chemical_formula_sum 'C30 H30 Ag F6 N10 P ' _chemical_formula_weight 783.47 _chemical_melting_point ? _space_group_IT_number 14 _symmetry_cell_setting monoclinic _symmetry_Int_Tables_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90.0000 _cell_angle_beta 112.646(5) _cell_angle_gamma 90.0000 _cell_formula_units_Z 4 _cell_length_a 14.893 _cell_length_b 14.935 _cell_length_c 15.735 _cell_measurement_reflns_used 9566 _cell_measurement_temperature 193.1 _cell_measurement_theta_max 27.5 _cell_measurement_theta_min 4.0 _cell_volume 3230.2(12) _computing_cell_refinement CrystalClear _computing_data_collection CrystalClear _computing_data_reduction CrystalStructure _computing_molecular_graphics ORTEP3 _computing_publication_material 'CrystalStructure 3.8' _computing_structure_refinement CRYSTALS _computing_structure_solution SIR97 _diffrn_detector_area_resol_mean 7.31 _diffrn_measured_fraction_theta_full 0.988 _diffrn_measured_fraction_theta_max 0.988 _diffrn_measurement_device_type 'Rigaku Mercury' _diffrn_measurement_method \w _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71070 _diffrn_reflns_av_R_equivalents 0.075 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_number 31971 _diffrn_reflns_theta_full 27.48 _diffrn_reflns_theta_max 27.48 _exptl_absorpt_coefficient_mu 0.746 _exptl_absorpt_correction_T_max 0.963 _exptl_absorpt_correction_T_min 0.776 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'Jacobson, R. (1998) Private communication' _exptl_crystal_colour colorless _exptl_crystal_density_diffrn 1.611 _exptl_crystal_density_meas ? _exptl_crystal_density_method 'not measured' _exptl_crystal_description platelet _exptl_crystal_F_000 1584.00 _exptl_crystal_size_max 0.30 _exptl_crystal_size_mid 0.15 _exptl_crystal_size_min 0.05 _refine_diff_density_max 3.48 _refine_diff_density_min -2.33 _refine_ls_extinction_coef ? _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.034 _refine_ls_hydrogen_treatment refall _refine_ls_number_parameters 463 _refine_ls_number_reflns 7326 _refine_ls_R_factor_gt 0.0537 _refine_ls_shift/su_max 0.0000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w = 1/[1.0000?(Fo^2^)]/(4Fo^2^)' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_ref 0.0552 _reflns_number_gt 4647 _reflns_number_total 7326 _reflns_threshold_expression F^2^>2.0\s(F^2^) _cod_data_source_file bt2780Isup2.hkl _cod_data_source_block I loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 +X,+Y,+Z 2 1/2-X,1/2+Y,1/2-Z 3 -X,-Y,-Z 4 1/2+X,1/2-Y,1/2+Z 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 Ag(1) Ag 0.45614(2) 0.23636(2) 0.47433(2) 0.02556(7) Uani 1.00 1 d . . . P(1) P 0.72081(8) 0.21389(8) 0.19893(9) 0.0300(3) Uani 1.00 1 d . . . F(1) F 0.78327(16) 0.23364(19) 0.13875(17) 0.0552(8) Uani 1.00 1 d . . . F(2) F 0.65821(18) 0.19439(16) 0.25993(18) 0.0492(9) Uani 1.00 1 d . . . F(3) F 0.7415(2) 0.31311(17) 0.2382(2) 0.0583(10) Uani 1.00 1 d . . . F(4) F 0.81644(17) 0.17994(18) 0.28073(17) 0.0477(8) Uani 1.00 1 d . . . F(5) F 0.70048(18) 0.11394(16) 0.15986(17) 0.0475(8) Uani 1.00 1 d . . . F(6) F 0.62526(17) 0.2473(2) 0.11681(17) 0.0628(9) Uani 1.00 1 d . . . N(1) N 0.0406(2) 0.4073(2) 0.3528(2) 0.0209(9) Uani 1.00 1 d . . . N(2) N 0.2601(2) 0.4507(2) 0.4393(2) 0.0264(10) Uani 1.00 1 d . . . N(3) N 0.2869(2) 0.3656(2) 0.4548(2) 0.0249(10) Uani 1.00 1 d . . . N(4) N 0.3631(2) 0.3565(2) 0.4315(2) 0.0223(9) Uani 1.00 1 d . . . N(5) N -0.0085(2) 0.5197(2) 0.1746(2) 0.0258(10) Uani 1.00 1 d . . . N(6) N -0.0277(2) 0.5971(2) 0.1282(2) 0.0303(10) Uani 1.00 1 d . . . N(7) N 0.0412(2) 0.6093(2) 0.0966(2) 0.0242(9) Uani 1.00 1 d . . . N(8) N 0.0859(2) 0.2467(2) 0.26377(19) 0.0231(9) Uani 1.00 1 d . . . N(9) N 0.0191(2) 0.2593(2) 0.1787(2) 0.0265(9) Uani 1.00 1 d . . . N(10) N 0.06704(19) 0.2581(2) 0.1214(2) 0.0214(8) Uani 1.00 1 d . . . C(1) C 0.1011(2) 0.4214(2) 0.4501(2) 0.0245(11) Uani 1.00 1 d . . . C(2) C 0.1823(3) 0.4872(2) 0.4670(3) 0.0290(13) Uani 1.00 1 d . . . C(3) C 0.3162(3) 0.4970(2) 0.4061(2) 0.0258(12) Uani 1.00 1 d . . . C(4) C 0.3837(2) 0.4368(2) 0.4008(2) 0.0196(10) Uani 1.00 1 d . . . C(5) C 0.4644(2) 0.4490(2) 0.3710(2) 0.0216(11) Uani 1.00 1 d . . . C(6) C 0.5077(3) 0.3770(2) 0.3441(3) 0.0320(13) Uani 1.00 1 d . . . C(7) C 0.5821(3) 0.3898(2) 0.3148(3) 0.0355(13) Uani 1.00 1 d . . . C(8) C 0.6151(3) 0.4762(2) 0.3095(3) 0.0339(13) Uani 1.00 1 d . . . C(9) C 0.5733(3) 0.5481(2) 0.3355(3) 0.0334(13) Uani 1.00 1 d . . . C(10) C 0.4994(2) 0.5343(2) 0.3659(2) 0.0262(12) Uani 1.00 1 d . . . C(11) C -0.0307(2) 0.4794(2) 0.3191(2) 0.0275(12) Uani 1.00 1 d . . . C(12) C -0.0760(3) 0.4862(2) 0.2144(2) 0.0292(12) Uani 1.00 1 d . . . C(13) C 0.0726(3) 0.4829(2) 0.1727(2) 0.0289(12) Uani 1.00 1 d . . . C(14) C 0.1058(2) 0.5395(2) 0.1229(2) 0.0213(11) Uani 1.00 1 d . . . C(15) C 0.1908(3) 0.5339(2) 0.0964(3) 0.0260(12) Uani 1.00 1 d . . . C(16) C 0.2701(3) 0.4828(2) 0.1481(3) 0.0338(13) Uani 1.00 1 d . . . C(17) C 0.3512(3) 0.4771(3) 0.1237(3) 0.0435(15) Uani 1.00 1 d . . . C(18) C 0.3528(3) 0.5245(3) 0.0501(3) 0.0378(14) Uani 1.00 1 d . . . C(19) C 0.2756(3) 0.5757(2) -0.0014(3) 0.0373(14) Uani 1.00 1 d . . . C(20) C 0.1933(3) 0.5808(2) 0.0213(3) 0.0330(13) Uani 1.00 1 d . . . C(21) C -0.0095(2) 0.3209(2) 0.3415(2) 0.0264(12) Uani 1.00 1 d . . . C(22) C 0.0557(2) 0.2428(2) 0.3421(2) 0.0305(11) Uani 1.00 1 d . . . C(23) C 0.1756(2) 0.2375(2) 0.2625(2) 0.0246(10) Uani 1.00 1 d . . . C(24) C 0.1642(2) 0.2460(2) 0.1730(2) 0.0186(9) Uani 1.00 1 d . . . C(25) C 0.2370(2) 0.2422(2) 0.1313(2) 0.0229(10) Uani 1.00 1 d . . . C(26) C 0.3333(2) 0.2192(2) 0.1856(2) 0.0300(12) Uani 1.00 1 d . . . C(27) C 0.4044(2) 0.2207(2) 0.1484(2) 0.0348(13) Uani 1.00 1 d . . . C(28) C 0.3802(2) 0.2411(3) 0.0577(3) 0.0398(13) Uani 1.00 1 d . . . C(29) C 0.2856(3) 0.2615(3) 0.0021(2) 0.0463(14) Uani 1.00 1 d . . . C(30) C 0.2140(2) 0.2632(3) 0.0378(2) 0.0371(12) Uani 1.00 1 d . . . H(1) H 0.0609 0.4411 0.4809 0.031 Uiso 1.00 1 c R . . H(2) H 0.1300 0.3657 0.4752 0.031 Uiso 1.00 1 c R . . H(3) H 0.2097 0.5019 0.5306 0.035 Uiso 1.00 1 c R . . H(4) H 0.1560 0.5396 0.4320 0.035 Uiso 1.00 1 c R . . H(5) H 0.3109 0.5585 0.3894 0.030 Uiso 1.00 1 c R . . H(6) H 0.4843 0.3180 0.3456 0.038 Uiso 1.00 1 c R . . H(7) H 0.6119 0.3401 0.2984 0.043 Uiso 1.00 1 c R . . H(8) H 0.6660 0.4853 0.2882 0.042 Uiso 1.00 1 c R . . H(9) H 0.5956 0.6070 0.3318 0.039 Uiso 1.00 1 c R . . H(10) H 0.4713 0.5841 0.3842 0.032 Uiso 1.00 1 c R . . H(11) H -0.0812 0.4703 0.3410 0.033 Uiso 1.00 1 c R . . H(12) H 0.0015 0.5343 0.3426 0.033 Uiso 1.00 1 c R . . H(13) H -0.1302 0.5256 0.1973 0.034 Uiso 1.00 1 c R . . H(14) H -0.0975 0.4283 0.1902 0.035 Uiso 1.00 1 c R . . H(15) H 0.1018 0.4283 0.2008 0.034 Uiso 1.00 1 c R . . H(16) H 0.2699 0.4520 0.2009 0.042 Uiso 1.00 1 c R . . H(17) H 0.4051 0.4408 0.1587 0.051 Uiso 1.00 1 c R . . H(18) H 0.4077 0.5204 0.0335 0.046 Uiso 1.00 1 c R . . H(19) H 0.2777 0.6090 -0.0521 0.046 Uiso 1.00 1 c R . . H(20) H 0.1390 0.6162 -0.0148 0.038 Uiso 1.00 1 c R . . H(21) H -0.0344 0.3136 0.3883 0.033 Uiso 1.00 1 c R . . H(22) H -0.0618 0.3215 0.2829 0.033 Uiso 1.00 1 c R . . H(23) H 0.0215 0.1885 0.3391 0.038 Uiso 1.00 1 c R . . H(24) H 0.1117 0.2447 0.3979 0.038 Uiso 1.00 1 c R . . H(25) H 0.2345 0.2270 0.3140 0.029 Uiso 1.00 1 c R . . H(26) H 0.3498 0.2023 0.2480 0.033 Uiso 1.00 1 c R . . H(27) H 0.4700 0.2075 0.1866 0.041 Uiso 1.00 1 c R . . H(28) H 0.4292 0.2411 0.0330 0.049 Uiso 1.00 1 c R . . H(29) H 0.2695 0.2747 -0.0612 0.056 Uiso 1.00 1 c R . . H(30) H 0.1488 0.2782 -0.0003 0.043 Uiso 1.00 1 c 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_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Ag(1) 0.02591(16) 0.01924(15) 0.02906(17) 0.00118(17) 0.00786(13) -0.00264(17) P(1) 0.0251(6) 0.0333(7) 0.0370(7) 0.0018(5) 0.0179(5) -0.0044(5) F(1) 0.0571(16) 0.0648(18) 0.0679(18) 0.0167(16) 0.0508(15) 0.0146(17) F(2) 0.0509(16) 0.0533(17) 0.066(2) -0.0082(13) 0.0474(15) -0.0081(14) F(3) 0.059(2) 0.0343(16) 0.100(2) -0.0089(14) 0.0517(19) -0.0210(15) F(4) 0.0291(15) 0.0657(19) 0.0396(16) -0.0025(13) 0.0036(13) -0.0018(13) F(5) 0.0530(17) 0.0392(16) 0.0500(17) -0.0004(13) 0.0195(14) -0.0172(13) F(6) 0.0385(14) 0.073(2) 0.0681(18) 0.0214(17) 0.0110(13) 0.0161(18) N(1) 0.0190(18) 0.0246(19) 0.0191(18) 0.0041(14) 0.0073(15) 0.0046(14) N(2) 0.0191(19) 0.027(2) 0.032(2) 0.0078(15) 0.0085(17) -0.0015(16) N(3) 0.025(2) 0.0202(19) 0.028(2) 0.0007(15) 0.0092(17) -0.0004(15) N(4) 0.0207(18) 0.0194(18) 0.027(2) -0.0013(14) 0.0091(16) -0.0030(15) N(5) 0.027(2) 0.024(2) 0.024(2) -0.0012(16) 0.0073(17) 0.0025(16) N(6) 0.033(2) 0.028(2) 0.027(2) 0.0027(17) 0.0082(18) 0.0069(16) N(7) 0.029(2) 0.0230(19) 0.0200(19) 0.0010(15) 0.0080(16) 0.0034(15) N(8) 0.0319(18) 0.0146(19) 0.0206(17) 0.0029(15) 0.0076(15) 0.0042(15) N(9) 0.0206(16) 0.0262(19) 0.0275(18) -0.0016(16) 0.0035(14) 0.0025(17) N(10) 0.0153(15) 0.0141(17) 0.0324(18) -0.0031(14) 0.0065(14) -0.0005(15) C(1) 0.023(2) 0.036(2) 0.019(2) 0.0077(19) 0.0132(19) 0.0000(19) C(2) 0.026(2) 0.037(2) 0.026(2) 0.009(2) 0.012(2) -0.002(2) C(3) 0.029(2) 0.021(2) 0.025(2) -0.0017(18) 0.008(2) 0.0042(18) C(4) 0.020(2) 0.016(2) 0.019(2) 0.0022(16) 0.0027(18) 0.0006(16) C(5) 0.022(2) 0.017(2) 0.024(2) 0.0005(17) 0.0068(19) -0.0013(17) C(6) 0.033(2) 0.023(2) 0.039(2) -0.0044(19) 0.012(2) -0.004(2) C(7) 0.028(2) 0.034(2) 0.045(3) 0.003(2) 0.015(2) -0.006(2) C(8) 0.024(2) 0.041(2) 0.040(2) -0.004(2) 0.016(2) 0.001(2) C(9) 0.028(2) 0.026(2) 0.044(2) -0.007(2) 0.011(2) -0.002(2) C(10) 0.026(2) 0.022(2) 0.033(2) 0.0018(18) 0.013(2) 0.0001(19) C(11) 0.023(2) 0.030(2) 0.029(2) 0.0057(19) 0.0093(19) 0.0033(19) C(12) 0.026(2) 0.034(2) 0.026(2) 0.0013(19) 0.009(2) 0.003(2) C(13) 0.034(2) 0.020(2) 0.031(2) 0.0055(19) 0.010(2) 0.0060(19) C(14) 0.028(2) 0.016(2) 0.016(2) -0.0004(18) 0.0034(19) -0.0009(16) C(15) 0.030(2) 0.020(2) 0.025(2) -0.0051(19) 0.006(2) -0.0044(18) C(16) 0.037(2) 0.032(2) 0.035(2) -0.002(2) 0.018(2) 0.007(2) C(17) 0.037(2) 0.048(3) 0.042(3) 0.010(2) 0.012(2) 0.009(2) C(18) 0.029(2) 0.046(3) 0.040(2) 0.002(2) 0.014(2) -0.000(2) C(19) 0.049(3) 0.031(2) 0.036(2) -0.006(2) 0.020(2) 0.003(2) C(20) 0.040(2) 0.026(2) 0.029(2) 0.000(2) 0.009(2) 0.006(2) C(21) 0.025(2) 0.031(2) 0.026(2) 0.0000(19) 0.0136(19) 0.0095(19) C(22) 0.041(2) 0.027(2) 0.028(2) -0.001(2) 0.018(2) 0.004(2) C(23) 0.020(2) 0.029(2) 0.024(2) 0.004(2) 0.0074(17) 0.003(2) C(24) 0.0205(19) 0.009(2) 0.0212(19) -0.0041(16) 0.0022(16) -0.0047(16) C(25) 0.0212(19) 0.021(2) 0.023(2) -0.0004(18) 0.0052(16) -0.0066(19) C(26) 0.026(2) 0.026(2) 0.030(2) 0.0029(19) 0.003(2) 0.0026(19) C(27) 0.020(2) 0.041(2) 0.040(2) 0.005(2) 0.008(2) -0.005(2) C(28) 0.030(2) 0.051(3) 0.042(2) -0.004(2) 0.019(2) -0.011(2) C(29) 0.039(2) 0.072(3) 0.029(2) -0.006(2) 0.014(2) 0.002(2) C(30) 0.025(2) 0.058(2) 0.024(2) -0.005(2) 0.0050(18) 0.003(2) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.003 0.002 ; International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; H H 0.000 0.000 ; International Tables for Crystallography (1992, Vol. C, Table 6.1.1.4) ; N N 0.006 0.003 ; International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; Ag Ag -0.897 1.101 ; International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; P P 0.102 0.094 ; International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; F F 0.017 0.010 ; International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_publ_flag _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 N(4) Ag(1) N(7) 132.43(10) yes . . 2_545 N(4) Ag(1) N(10) 114.02(10) yes . . 4_555 N(7) Ag(1) N(10) 113.51(10) yes 2_545 . 4_555 F(1) P(1) F(2) 179.70(15) yes . . . F(1) P(1) F(3) 89.34(18) yes . . . F(1) P(1) F(4) 89.67(14) yes . . . F(1) P(1) F(5) 90.68(16) yes . . . F(1) P(1) F(6) 90.20(15) yes . . . F(2) P(1) F(3) 90.39(17) yes . . . F(2) P(1) F(4) 90.20(15) yes . . . F(2) P(1) F(5) 89.59(15) yes . . . F(2) P(1) F(6) 89.93(14) yes . . . F(3) P(1) F(4) 90.18(14) yes . . . F(3) P(1) F(5) 179.69(15) yes . . . F(3) P(1) F(6) 90.13(15) yes . . . F(4) P(1) F(5) 89.51(13) yes . . . F(4) P(1) F(6) 179.66(16) yes . . . F(5) P(1) F(6) 90.17(14) yes . . . C(1) N(1) C(11) 110.0(3) yes . . . C(1) N(1) C(21) 109.5(3) yes . . . C(11) N(1) C(21) 109.9(2) yes . . . N(3) N(2) C(2) 120.7(3) yes . . . N(3) N(2) C(3) 112.2(3) yes . . . C(2) N(2) C(3) 126.8(3) yes . . . N(2) N(3) N(4) 106.0(3) yes . . . Ag(1) N(4) N(3) 120.1(2) yes . . . Ag(1) N(4) C(4) 128.3(2) yes . . . N(3) N(4) C(4) 109.8(3) yes . . . N(6) N(5) C(12) 119.4(3) yes . . . N(6) N(5) C(13) 110.4(3) yes . . . C(12) N(5) C(13) 130.1(3) yes . . . N(5) N(6) N(7) 106.9(3) yes . . . Ag(1) N(7) N(6) 118.6(2) yes 2_555 . . Ag(1) N(7) C(14) 131.2(3) yes 2_555 . . N(6) N(7) C(14) 110.0(3) yes . . . N(9) N(8) C(22) 119.7(3) yes . . . N(9) N(8) C(23) 111.0(3) yes . . . C(22) N(8) C(23) 129.3(2) yes . . . N(8) N(9) N(10) 106.6(2) yes . . . Ag(1) N(10) N(9) 108.43(17) yes 4_454 . . Ag(1) N(10) C(24) 142.8(2) yes 4_454 . . N(9) N(10) C(24) 108.4(2) yes . . . N(1) C(1) C(2) 114.2(3) yes . . . N(2) C(2) C(1) 111.9(3) yes . . . N(2) C(3) C(4) 105.5(3) yes . . . N(4) C(4) C(3) 106.4(4) yes . . . N(4) C(4) C(5) 123.0(3) yes . . . C(3) C(4) C(5) 130.5(3) yes . . . C(4) C(5) C(6) 122.2(3) yes . . . C(4) C(5) C(10) 120.4(3) yes . . . C(6) C(5) C(10) 117.3(4) yes . . . C(5) C(6) C(7) 121.4(4) yes . . . C(6) C(7) C(8) 120.0(4) yes . . . C(7) C(8) C(9) 119.5(4) yes . . . C(8) C(9) C(10) 120.0(4) yes . . . C(5) C(10) C(9) 121.7(4) yes . . . N(1) C(11) C(12) 113.5(3) yes . . . N(5) C(12) C(11) 113.2(3) yes . . . N(5) C(13) C(14) 106.7(3) yes . . . N(7) C(14) C(13) 106.0(4) yes . . . N(7) C(14) C(15) 122.4(3) yes . . . C(13) C(14) C(15) 131.6(3) yes . . . C(14) C(15) C(16) 119.7(4) yes . . . C(14) C(15) C(20) 121.2(3) yes . . . C(16) C(15) C(20) 119.0(4) yes . . . C(15) C(16) C(17) 120.2(4) yes . . . C(16) C(17) C(18) 119.9(4) yes . . . C(17) C(18) C(19) 120.7(5) yes . . . C(18) C(19) C(20) 120.0(4) yes . . . C(15) C(20) C(19) 120.1(3) yes . . . N(1) C(21) C(22) 112.4(3) yes . . . N(8) C(22) C(21) 111.5(3) yes . . . N(8) C(23) C(24) 106.1(2) yes . . . N(10) C(24) C(23) 107.9(3) yes . . . N(10) C(24) C(25) 122.2(3) yes . . . C(23) C(24) C(25) 129.9(2) yes . . . C(24) C(25) C(26) 119.7(3) yes . . . C(24) C(25) C(30) 122.2(3) yes . . . C(26) C(25) C(30) 118.1(4) yes . . . C(25) C(26) C(27) 120.3(3) yes . . . C(26) C(27) C(28) 120.3(3) yes . . . C(27) C(28) C(29) 120.6(4) yes . . . C(28) C(29) C(30) 120.4(4) yes . . . C(25) C(30) C(29) 120.2(3) yes . . . N(1) C(1) H(1) 108.9 no . . . N(1) C(1) H(2) 107.9 no . . . C(2) C(1) H(1) 109.2 no . . . C(2) C(1) H(2) 107.1 no . . . H(1) C(1) H(2) 109.5 no . . . N(2) C(2) H(3) 109.0 no . . . N(2) C(2) H(4) 109.0 no . . . C(1) C(2) H(3) 109.2 no . . . C(1) C(2) H(4) 108.3 no . . . H(3) C(2) H(4) 109.5 no . . . N(2) C(3) H(5) 127.7 no . . . C(4) C(3) H(5) 126.8 no . . . C(5) C(6) H(6) 119.2 no . . . C(7) C(6) H(6) 119.4 no . . . C(6) C(7) H(7) 120.3 no . . . C(8) C(7) H(7) 119.7 no . . . C(7) C(8) H(8) 120.1 no . . . C(9) C(8) H(8) 120.4 no . . . C(8) C(9) H(9) 119.5 no . . . C(10) C(9) H(9) 120.5 no . . . C(5) C(10) H(10) 118.8 no . . . C(9) C(10) H(10) 119.5 no . . . N(1) C(11) H(11) 109.2 no . . . N(1) C(11) H(12) 107.9 no . . . C(12) C(11) H(11) 108.6 no . . . C(12) C(11) H(12) 108.0 no . . . H(11) C(11) H(12) 109.5 no . . . N(5) C(12) H(13) 108.4 no . . . N(5) C(12) H(14) 108.7 no . . . C(11) C(12) H(13) 108.8 no . . . C(11) C(12) H(14) 108.2 no . . . H(13) C(12) H(14) 109.5 no . . . N(5) C(13) H(15) 126.8 no . . . C(14) C(13) H(15) 126.5 no . . . C(15) C(16) H(16) 119.6 no . . . C(17) C(16) H(16) 120.2 no . . . C(16) C(17) H(17) 120.0 no . . . C(18) C(17) H(17) 120.1 no . . . C(17) C(18) H(18) 119.8 no . . . C(19) C(18) H(18) 119.5 no . . . C(18) C(19) H(19) 120.1 no . . . C(20) C(19) H(19) 119.9 no . . . C(15) C(20) H(20) 119.7 no . . . C(19) C(20) H(20) 120.2 no . . . N(1) C(21) H(21) 109.8 no . . . N(1) C(21) H(22) 107.4 no . . . C(22) C(21) H(21) 110.3 no . . . C(22) C(21) H(22) 107.3 no . . . H(21) C(21) H(22) 109.5 no . . . N(8) C(22) H(23) 109.0 no . . . N(8) C(22) H(24) 109.4 no . . . C(21) C(22) H(23) 109.0 no . . . C(21) C(22) H(24) 108.3 no . . . H(23) C(22) H(24) 109.5 no . . . N(8) C(23) H(25) 126.8 no . . . C(24) C(23) H(25) 127.2 no . . . C(25) C(26) H(26) 119.6 no . . . C(27) C(26) H(26) 120.1 no . . . C(26) C(27) H(27) 119.6 no . . . C(28) C(27) H(27) 120.1 no . . . C(27) C(28) H(28) 119.5 no . . . C(29) C(28) H(28) 120.0 no . . . C(28) C(29) H(29) 119.8 no . . . C(30) C(29) H(29) 119.8 no . . . C(25) C(30) H(30) 119.3 no . . . C(29) C(30) H(30) 120.5 no . . . loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_publ_flag _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 Ag(1) N(4) 2.208(2) yes . . Ag(1) N(7) 2.210(3) yes . 2_545 Ag(1) N(10) 2.268(2) yes . 4_555 P(1) F(1) 1.590(3) yes . . P(1) F(2) 1.601(3) yes . . P(1) F(3) 1.590(2) yes . . P(1) F(4) 1.591(2) yes . . P(1) F(5) 1.598(2) yes . . P(1) F(6) 1.590(2) yes . . N(1) C(1) 1.462(4) yes . . N(1) C(11) 1.462(4) yes . . N(1) C(21) 1.466(4) yes . . N(2) N(3) 1.327(4) yes . . N(2) C(2) 1.489(6) yes . . N(2) C(3) 1.336(6) yes . . N(3) N(4) 1.327(5) yes . . N(4) C(4) 1.372(5) yes . . N(5) N(6) 1.338(4) yes . . N(5) C(12) 1.463(6) yes . . N(5) C(13) 1.337(6) yes . . N(6) N(7) 1.314(6) yes . . N(7) C(14) 1.370(4) yes . . N(8) N(9) 1.339(3) yes . . N(8) C(22) 1.466(5) yes . . N(8) C(23) 1.350(5) yes . . N(9) N(10) 1.349(5) yes . . N(10) C(24) 1.372(3) yes . . C(1) C(2) 1.501(5) yes . . C(3) C(4) 1.375(6) yes . . C(4) C(5) 1.460(6) yes . . C(5) C(6) 1.402(6) yes . . C(5) C(10) 1.390(5) yes . . C(6) C(7) 1.368(7) yes . . C(7) C(8) 1.394(6) yes . . C(8) C(9) 1.381(6) yes . . C(9) C(10) 1.374(7) yes . . C(11) C(12) 1.524(5) yes . . C(13) C(14) 1.368(6) yes . . C(14) C(15) 1.479(7) yes . . C(15) C(16) 1.379(5) yes . . C(15) C(20) 1.386(6) yes . . C(16) C(17) 1.404(8) yes . . C(17) C(18) 1.365(7) yes . . C(18) C(19) 1.359(5) yes . . C(19) C(20) 1.405(8) yes . . C(21) C(22) 1.516(5) yes . . C(23) C(24) 1.359(5) yes . . C(24) C(25) 1.468(6) yes . . C(25) C(26) 1.401(4) yes . . C(25) C(30) 1.410(5) yes . . C(26) C(27) 1.395(7) yes . . C(27) C(28) 1.365(6) yes . . C(28) C(29) 1.376(5) yes . . C(29) C(30) 1.385(7) yes . . C(1) H(1) 0.950 no . . C(1) H(2) 0.950 no . . C(2) H(3) 0.950 no . . C(2) H(4) 0.950 no . . C(3) H(5) 0.950 no . . C(6) H(6) 0.950 no . . C(7) H(7) 0.950 no . . C(8) H(8) 0.950 no . . C(9) H(9) 0.950 no . . C(10) H(10) 0.950 no . . C(11) H(11) 0.950 no . . C(11) H(12) 0.950 no . . C(12) H(13) 0.950 no . . C(12) H(14) 0.950 no . . C(13) H(15) 0.950 no . . C(16) H(16) 0.950 no . . C(17) H(17) 0.950 no . . C(18) H(18) 0.950 no . . C(19) H(19) 0.950 no . . C(20) H(20) 0.950 no . . C(21) H(21) 0.950 no . . C(21) H(22) 0.950 no . . C(22) H(23) 0.950 no . . C(22) H(24) 0.950 no . . C(23) H(25) 0.950 no . . C(26) H(26) 0.950 no . . C(27) H(27) 0.950 no . . C(28) H(28) 0.950 no . . C(29) H(29) 0.950 no . . C(30) H(30) 0.950 no . . loop_ _geom_contact_atom_site_label_1 _geom_contact_atom_site_label_2 _geom_contact_distance _geom_contact_publ_flag _geom_contact_site_symmetry_1 _geom_contact_site_symmetry_2 F(1) N(3) 3.271(4) ? . 4_554 F(1) N(9) 3.343(3) ? . 1_655 F(1) C(9) 3.427(5) ? . 2_645 F(1) C(19) 3.477(5) ? . 3_665 F(2) N(6) 3.409(5) ? . 2_545 F(2) C(7) 3.362(5) ? . . F(2) C(12) 3.421(5) ? . 2_545 F(2) C(27) 3.523(4) ? . . F(3) C(7) 3.256(6) ? . . F(3) C(8) 3.516(5) ? . . F(3) C(21) 3.430(4) ? . 1_655 F(4) C(9) 3.498(5) ? . 2_645 F(4) C(21) 3.188(4) ? . 1_655 F(4) C(22) 3.445(4) ? . 1_655 F(5) C(1) 3.099(4) ? . 4_554 F(5) C(2) 3.307(5) ? . 4_554 F(5) C(8) 3.316(5) ? . 2_645 F(5) C(9) 3.484(5) ? . 2_645 F(5) C(11) 3.345(5) ? . 2_545 F(6) C(1) 3.554(4) ? . 4_554 F(6) C(27) 3.533(5) ? . . F(6) C(28) 3.403(4) ? . . N(2) C(9) 3.456(4) ? . 3_666 N(3) F(1) 3.271(4) ? . 4_455 N(3) C(9) 3.405(4) ? . 3_666 N(4) C(10) 3.463(4) ? . 3_666 N(5) C(20) 3.578(4) ? . 3_565 N(6) F(2) 3.409(5) ? . 2_555 N(9) F(1) 3.343(3) ? . 1_455 C(1) F(5) 3.099(4) ? . 4_455 C(1) F(6) 3.554(4) ? . 4_455 C(2) F(5) 3.307(5) ? . 4_455 C(4) C(10) 3.431(5) ? . 3_666 C(7) F(2) 3.362(5) ? . . C(7) F(3) 3.256(6) ? . . C(8) F(3) 3.516(5) ? . . C(8) F(5) 3.316(5) ? . 2_655 C(9) F(1) 3.427(5) ? . 2_655 C(9) F(4) 3.498(5) ? . 2_655 C(9) F(5) 3.484(5) ? . 2_655 C(9) N(2) 3.456(4) ? . 3_666 C(9) N(3) 3.405(4) ? . 3_666 C(10) N(4) 3.463(4) ? . 3_666 C(10) C(4) 3.431(5) ? . 3_666 C(11) F(5) 3.345(5) ? . 2_555 C(12) F(2) 3.421(5) ? . 2_555 C(12) C(20) 3.582(5) ? . 3_565 C(19) F(1) 3.477(5) ? . 3_665 C(20) N(5) 3.578(4) ? . 3_565 C(20) C(12) 3.582(5) ? . 3_565 C(21) F(3) 3.430(4) ? . 1_455 C(21) F(4) 3.188(4) ? . 1_455 C(22) F(4) 3.445(4) ? . 1_455 C(27) F(2) 3.523(4) ? . . C(27) F(6) 3.533(5) ? . . C(28) F(6) 3.403(4) ? . . Ag(1) H(10) 3.386 ? . 3_666 P(1) H(2) 3.460 ? . 4_554 P(1) H(7) 3.254 ? . . P(1) H(9) 3.358 ? . 2_645 P(1) H(19) 3.519 ? . 3_665 P(1) H(22) 3.394 ? . 1_655 P(1) H(29) 3.564 ? . 4_555 F(1) H(2) 3.084 ? . 4_554 F(1) H(9) 2.530 ? . 2_645 F(1) H(14) 3.340 ? . 1_655 F(1) H(19) 2.694 ? . 3_665 F(1) H(20) 3.451 ? . 3_665 F(1) H(22) 2.857 ? . 1_655 F(2) H(7) 2.429 ? . . F(2) H(12) 3.320 ? . 2_545 F(2) H(13) 2.682 ? . 2_545 F(2) H(27) 2.595 ? . . F(2) H(29) 2.700 ? . 4_555 F(3) H(7) 2.489 ? . . F(3) H(8) 3.030 ? . . F(3) H(11) 3.437 ? . 1_655 F(3) H(14) 3.267 ? . 1_655 F(3) H(19) 3.062 ? . 3_665 F(3) H(21) 3.263 ? . 1_655 F(3) H(22) 2.740 ? . 1_655 F(3) H(29) 3.293 ? . 4_555 F(4) H(8) 3.148 ? . 2_645 F(4) H(9) 2.797 ? . 2_645 F(4) H(21) 2.981 ? . 1_655 F(4) H(22) 2.777 ? . 1_655 F(4) H(23) 2.833 ? . 1_655 F(4) H(29) 2.912 ? . 4_555 F(5) H(1) 2.901 ? . 4_554 F(5) H(2) 2.700 ? . 4_554 F(5) H(3) 2.714 ? . 4_554 F(5) H(8) 2.657 ? . 2_645 F(5) H(9) 2.990 ? . 2_645 F(5) H(11) 2.782 ? . 2_545 F(5) H(12) 3.221 ? . 2_545 F(5) H(13) 3.114 ? . 2_545 F(6) H(1) 3.440 ? . 4_554 F(6) H(2) 2.818 ? . 4_554 F(6) H(7) 3.251 ? . . F(6) H(19) 2.978 ? . 3_665 F(6) H(21) 3.582 ? . 4_554 F(6) H(24) 3.374 ? . 4_554 F(6) H(27) 2.977 ? . . F(6) H(28) 2.703 ? . . N(2) H(9) 3.517 ? . 3_666 N(3) H(9) 3.159 ? . 3_666 N(3) H(10) 3.595 ? . 3_666 N(4) H(9) 3.576 ? . 3_666 N(4) H(10) 3.127 ? . 3_666 N(5) H(20) 3.234 ? . 3_565 N(6) H(30) 2.825 ? . 3_565 N(7) H(30) 3.136 ? . 3_565 N(9) H(20) 3.312 ? . 3_565 N(10) H(20) 3.433 ? . 3_565 C(4) H(10) 3.253 ? . 3_666 C(7) H(3) 3.513 ? . 3_666 C(8) H(3) 2.863 ? . 3_666 C(9) H(3) 3.195 ? . 3_666 C(11) H(1) 3.550 ? . 3_566 C(12) H(19) 3.414 ? . 3_565 C(12) H(20) 3.289 ? . 3_565 C(13) H(20) 3.502 ? . 3_565 C(19) H(13) 3.368 ? . 3_565 C(19) H(14) 3.131 ? . 3_565 C(20) H(13) 3.572 ? . 3_565 C(20) H(14) 3.079 ? . 3_565 C(21) H(28) 3.591 ? . 4_455 C(28) H(21) 3.465 ? . 4_554 H(1) F(5) 2.901 ? . 4_455 H(1) F(6) 3.440 ? . 4_455 H(1) C(11) 3.550 ? . 3_566 H(1) H(1) 2.754 ? . 3_566 H(1) H(11) 3.006 ? . 3_566 H(1) H(12) 3.271 ? . 3_566 H(2) P(1) 3.460 ? . 4_455 H(2) F(1) 3.084 ? . 4_455 H(2) F(5) 2.700 ? . 4_455 H(2) F(6) 2.818 ? . 4_455 H(3) F(5) 2.714 ? . 4_455 H(3) C(7) 3.513 ? . 3_666 H(3) C(8) 2.863 ? . 3_666 H(3) C(9) 3.195 ? . 3_666 H(3) H(8) 2.744 ? . 3_666 H(3) H(9) 3.303 ? . 3_666 H(3) H(11) 3.300 ? . 3_566 H(7) P(1) 3.254 ? . . H(7) F(2) 2.429 ? . . H(7) F(3) 2.489 ? . . H(7) F(6) 3.251 ? . . H(8) F(3) 3.030 ? . . H(8) F(4) 3.148 ? . 2_655 H(8) F(5) 2.657 ? . 2_655 H(8) H(3) 2.744 ? . 3_666 H(8) H(11) 3.536 ? . 1_655 H(9) P(1) 3.358 ? . 2_655 H(9) F(1) 2.530 ? . 2_655 H(9) F(4) 2.797 ? . 2_655 H(9) F(5) 2.990 ? . 2_655 H(9) N(2) 3.517 ? . 3_666 H(9) N(3) 3.159 ? . 3_666 H(9) N(4) 3.576 ? . 3_666 H(9) H(3) 3.303 ? . 3_666 H(10) Ag(1) 3.386 ? . 3_666 H(10) N(3) 3.595 ? . 3_666 H(10) N(4) 3.127 ? . 3_666 H(10) C(4) 3.253 ? . 3_666 H(11) F(3) 3.437 ? . 1_455 H(11) F(5) 2.782 ? . 2_555 H(11) H(1) 3.006 ? . 3_566 H(11) H(3) 3.300 ? . 3_566 H(11) H(8) 3.536 ? . 1_455 H(12) F(2) 3.320 ? . 2_555 H(12) F(5) 3.221 ? . 2_555 H(12) H(1) 3.271 ? . 3_566 H(13) F(2) 2.682 ? . 2_555 H(13) F(5) 3.114 ? . 2_555 H(13) C(19) 3.368 ? . 3_565 H(13) C(20) 3.572 ? . 3_565 H(13) H(19) 3.198 ? . 3_565 H(13) H(20) 3.530 ? . 3_565 H(14) F(1) 3.340 ? . 1_455 H(14) F(3) 3.267 ? . 1_455 H(14) C(19) 3.131 ? . 3_565 H(14) C(20) 3.079 ? . 3_565 H(14) H(19) 2.783 ? . 3_565 H(14) H(20) 2.670 ? . 3_565 H(18) H(18) 3.360 ? . 3_665 H(19) P(1) 3.519 ? . 3_665 H(19) F(1) 2.694 ? . 3_665 H(19) F(3) 3.062 ? . 3_665 H(19) F(6) 2.978 ? . 3_665 H(19) C(12) 3.414 ? . 3_565 H(19) H(13) 3.198 ? . 3_565 H(19) H(14) 2.783 ? . 3_565 H(20) F(1) 3.451 ? . 3_665 H(20) N(5) 3.234 ? . 3_565 H(20) N(9) 3.312 ? . 3_565 H(20) N(10) 3.433 ? . 3_565 H(20) C(12) 3.289 ? . 3_565 H(20) C(13) 3.502 ? . 3_565 H(20) H(13) 3.530 ? . 3_565 H(20) H(14) 2.670 ? . 3_565 H(21) F(3) 3.263 ? . 1_455 H(21) F(4) 2.981 ? . 1_455 H(21) F(6) 3.582 ? . 4_455 H(21) C(28) 3.465 ? . 4_455 H(21) H(28) 2.664 ? . 4_455 H(21) H(29) 3.563 ? . 4_455 H(22) P(1) 3.394 ? . 1_455 H(22) F(1) 2.857 ? . 1_455 H(22) F(3) 2.740 ? . 1_455 H(22) F(4) 2.777 ? . 1_455 H(23) F(4) 2.833 ? . 1_455 H(24) F(6) 3.374 ? . 4_455 H(27) F(2) 2.595 ? . . H(27) F(6) 2.977 ? . . H(28) F(6) 2.703 ? . . H(28) C(21) 3.591 ? . 4_554 H(28) H(21) 2.664 ? . 4_554 H(29) P(1) 3.564 ? . 4_454 H(29) F(2) 2.700 ? . 4_454 H(29) F(3) 3.293 ? . 4_454 H(29) F(4) 2.912 ? . 4_454 H(29) H(21) 3.563 ? . 4_554 H(30) N(6) 2.825 ? . 3_565 H(30) N(7) 3.136 ? . 3_565 loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_publ_flag _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 N(4) Ag(1) N(7) N(6) 104.7(2) ? . . 2_545 2_545 N(4) Ag(1) N(7) C(14) -68.5(3) ? . . 2_545 2_545 N(7) Ag(1) N(4) N(3) 96.6(2) ? 2_545 . . . N(7) Ag(1) N(4) C(4) -100.5(3) ? 2_545 . . . N(4) Ag(1) N(10) N(9) 66.5(2) ? . . 4_555 4_555 N(4) Ag(1) N(10) C(24) -105.2(3) ? . . 4_555 4_555 N(10) Ag(1) N(4) N(3) -80.8(2) ? 4_555 . . . N(10) Ag(1) N(4) C(4) 82.1(3) ? 4_555 . . . N(7) Ag(1) N(10) N(9) -111.4(2) ? 2_545 . 4_555 4_555 N(7) Ag(1) N(10) C(24) 76.9(4) ? 2_545 . 4_555 4_555 N(10) Ag(1) N(7) N(6) -77.9(2) ? 4_555 . 2_545 2_545 N(10) Ag(1) N(7) C(14) 108.9(3) ? 4_555 . 2_545 2_545 C(1) N(1) C(11) C(12) 162.9(3) ? . . . . C(11) N(1) C(1) C(2) -80.9(4) ? . . . . C(1) N(1) C(21) C(22) -79.6(4) ? . . . . C(21) N(1) C(1) C(2) 158.2(3) ? . . . . C(11) N(1) C(21) C(22) 159.5(3) ? . . . . C(21) N(1) C(11) C(12) -76.5(4) ? . . . . N(3) N(2) C(2) C(1) -39.0(4) ? . . . . C(2) N(2) N(3) N(4) -173.8(2) ? . . . . N(3) N(2) C(3) C(4) -0.4(4) ? . . . . C(3) N(2) N(3) N(4) 0.4(3) ? . . . . C(2) N(2) C(3) C(4) 173.3(3) ? . . . . C(3) N(2) C(2) C(1) 147.8(3) ? . . . . N(2) N(3) N(4) Ag(1) 165.6(2) ? . . . . N(2) N(3) N(4) C(4) -0.2(3) ? . . . . Ag(1) N(4) C(4) C(3) -164.4(2) ? . . . . Ag(1) N(4) C(4) C(5) 14.9(4) ? . . . . N(3) N(4) C(4) C(3) -0.0(3) ? . . . . N(3) N(4) C(4) C(5) 179.2(3) ? . . . . N(6) N(5) C(12) C(11) -117.3(3) ? . . . . C(12) N(5) N(6) N(7) -177.2(2) ? . . . . N(6) N(5) C(13) C(14) -0.1(3) ? . . . . C(13) N(5) N(6) N(7) 0.1(3) ? . . . . C(12) N(5) C(13) C(14) 176.9(3) ? . . . . C(13) N(5) C(12) C(11) 66.0(5) ? . . . . N(5) N(6) N(7) Ag(1) -174.7(2) ? . . . 2_555 N(5) N(6) N(7) C(14) -0.1(3) ? . . . . Ag(1) N(7) C(14) C(13) 173.7(2) ? 2_555 . . . Ag(1) N(7) C(14) C(15) -7.2(5) ? 2_555 . . . N(6) N(7) C(14) C(13) 0.1(3) ? . . . . N(6) N(7) C(14) C(15) 179.2(3) ? . . . . N(9) N(8) C(22) C(21) -49.6(4) ? . . . . C(22) N(8) N(9) N(10) -178.8(2) ? . . . . N(9) N(8) C(23) C(24) 0.9(4) ? . . . . C(23) N(8) N(9) N(10) -0.0(3) ? . . . . C(22) N(8) C(23) C(24) 179.5(3) ? . . . . C(23) N(8) C(22) C(21) 131.9(3) ? . . . . N(8) N(9) N(10) Ag(1) 173.8(2) ? . . . 4_454 N(8) N(9) N(10) C(24) -0.9(3) ? . . . . Ag(1) N(10) C(24) C(23) -170.2(3) ? 4_454 . . . Ag(1) N(10) C(24) C(25) 8.7(5) ? 4_454 . . . N(9) N(10) C(24) C(23) 1.4(3) ? . . . . N(9) N(10) C(24) C(25) -179.6(3) ? . . . . N(1) C(1) C(2) N(2) -70.9(4) ? . . . . N(2) C(3) C(4) N(4) 0.2(3) ? . . . . N(2) C(3) C(4) C(5) -178.9(3) ? . . . . N(4) C(4) C(5) C(6) 20.4(5) ? . . . . N(4) C(4) C(5) C(10) -161.5(3) ? . . . . C(3) C(4) C(5) C(6) -160.5(3) ? . . . . C(3) C(4) C(5) C(10) 17.6(5) ? . . . . C(4) C(5) C(6) C(7) 178.8(3) ? . . . . C(4) C(5) C(10) C(9) -178.0(3) ? . . . . C(6) C(5) C(10) C(9) 0.2(4) ? . . . . C(10) C(5) C(6) C(7) 0.6(5) ? . . . . C(5) C(6) C(7) C(8) -1.3(5) ? . . . . C(6) C(7) C(8) C(9) 1.1(5) ? . . . . C(7) C(8) C(9) C(10) -0.3(5) ? . . . . C(8) C(9) C(10) C(5) -0.3(5) ? . . . . N(1) C(11) C(12) N(5) -71.1(4) ? . . . . N(5) C(13) C(14) N(7) -0.0(3) ? . . . . N(5) C(13) C(14) C(15) -179.0(3) ? . . . . N(7) C(14) C(15) C(16) 157.3(3) ? . . . . N(7) C(14) C(15) C(20) -21.3(5) ? . . . . C(13) C(14) C(15) C(16) -23.9(6) ? . . . . C(13) C(14) C(15) C(20) 157.5(4) ? . . . . C(14) C(15) C(16) C(17) -180.0(3) ? . . . . C(14) C(15) C(20) C(19) 178.9(3) ? . . . . C(16) C(15) C(20) C(19) 0.2(5) ? . . . . C(20) C(15) C(16) C(17) -1.3(6) ? . . . . C(15) C(16) C(17) C(18) 2.1(6) ? . . . . C(16) C(17) C(18) C(19) -1.7(6) ? . . . . C(17) C(18) C(19) C(20) 0.6(6) ? . . . . C(18) C(19) C(20) C(15) 0.2(5) ? . . . . N(1) C(21) C(22) N(8) -63.9(3) ? . . . . N(8) C(23) C(24) N(10) -1.4(4) ? . . . . N(8) C(23) C(24) C(25) 179.7(3) ? . . . . N(10) C(24) C(25) C(26) -172.5(3) ? . . . . N(10) C(24) C(25) C(30) 9.1(5) ? . . . . C(23) C(24) C(25) C(26) 6.2(6) ? . . . . C(23) C(24) C(25) C(30) -172.2(4) ? . . . . C(24) C(25) C(26) C(27) -176.0(3) ? . . . . C(24) C(25) C(30) C(29) 177.9(4) ? . . . . C(26) C(25) C(30) C(29) -0.5(6) ? . . . . C(30) C(25) C(26) C(27) 2.4(5) ? . . . . C(25) C(26) C(27) C(28) -2.5(6) ? . . . . C(26) C(27) C(28) C(29) 0.7(6) ? . . . . C(27) C(28) C(29) C(30) 1.3(7) ? . . . . C(28) C(29) C(30) C(25) -1.3(7) ? . . . . loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_sigma _refln_F_squared_calc _refln_observed_status 4 0 0 15520.18 0.86 15561.61 o 6 0 0 84.46 13.10 51.92 o 8 0 0 2420.64 1.99 2379.69 o 10 0 0 1508.55 3.06 1485.74 o 12 0 0 3423.42 2.66 3503.78 o 14 0 0 579.36 5.29 726.76 o 16 0 0 643.13 34.81 346.95 o 3 1 0 5452.35 0.98 5144.29 o 4 1 0 7825.17 1.14 8092.99 o 5 1 0 250.91 3.96 308.29 o 6 1 0 5682.14 1.12 6044.26 o 7 1 0 576.96 3.57 490.84 o 8 1 0 5715.36 1.56 5795.75 o 9 1 0 784.00 4.00 763.84 o 10 1 0 653.31 6.05 213.20 o 11 1 0 250.59 9.18 228.71 o 12 1 0 465.26 7.18 234.51 o 13 1 0 642.12 5.66 733.92 o 14 1 0 2472.08 3.46 2462.00 o 15 1 0 119.68 21.25 33.90 o 16 1 0 879.12 5.76 962.55 o 17 1 0 152.52 24.90 93.90 o 2 2 0 73.62 21.72 15.35 o 3 2 0 1033.62 2.22 1040.65 o 4 2 0 4208.12 0.90 4522.74 o 5 2 0 823.69 2.13 911.85 o 6 2 0 582.26 2.59 586.07 o 7 2 0 104.24 27.77 11.53 o 8 2 0 2242.02 1.99 2426.78 o 9 2 0 110.25 23.91 62.30 o 10 2 0 5453.82 1.85 5202.67 o 11 2 0 224.40 7.84 202.69 o 12 2 0 3597.60 2.69 3554.95 o 13 2 0 158.76 9.99 138.51 o 14 2 0 176.62 9.42 208.63 o 15 2 0 232.26 11.56 78.97 o 16 2 0 698.02 7.02 620.23 o 17 2 0 61.15 52.27 0.76 o 1 3 0 2263.86 1.30 2144.21 o 2 3 0 304.85 4.33 154.96 o 3 3 0 14.82 275.89 0.42 o 4 3 0 10985.14 1.04 10850.34 o 5 3 0 72.25 34.11 70.11 o 6 3 0 7623.04 1.12 7736.39 o 7 3 0 177.69 7.84 138.31 o 8 3 0 4275.85 1.49 4369.22 o 9 3 0 118.16 16.48 67.09 o 10 3 0 491.51 6.10 275.20 o 11 3 0 1850.72 3.17 1718.98 o 12 3 0 435.97 6.20 347.88 o 13 3 0 70.22 41.99 3.82 o 14 3 0 1016.33 4.88 960.50 o 15 3 0 273.90 10.50 304.81 o 16 3 0 733.33 6.71 670.30 o 17 3 0 83.54 29.70 2.45 o 1 4 0 653.31 2.86 527.46 o 2 4 0 2522.05 1.10 2694.93 o 3 4 0 6806.25 1.04 6836.15 o 4 4 0 587.09 2.53 702.41 o 5 4 0 8368.59 1.12 8259.24 o 6 4 0 705.96 2.96 769.34 o 7 4 0 79.03 27.98 33.32 o 8 4 0 1790.14 2.25 1632.20 o 9 4 0 2062.07 2.46 2059.17 o 10 4 0 3066.94 2.19 2998.85 o 11 4 0 170.56 7.67 166.50 o 12 4 0 921.73 4.20 895.42 o 13 4 0 346.70 8.12 309.46 o 14 4 0 602.70 6.20 494.14 o 15 4 0 566.92 7.08 521.77 o 16 4 0 218.15 18.49 62.95 o 17 4 0 338.56 17.72 28.98 o 1 5 0 5649.03 1.00 6018.53 o 2 5 0 230.43 3.53 246.58 o 3 5 0 2397.08 1.51 2335.45 o 4 5 0 6771.64 1.06 6886.92 o 5 5 0 142.32 7.73 94.22 o 6 5 0 6595.06 1.61 6882.79 o 7 5 0 197.12 6.15 197.31 o 8 5 0 1680.18 2.53 1628.19 o 9 5 0 84.64 41.99 1.48 o 10 5 0 878.53 4.88 393.13 o 11 5 0 210.83 7.84 223.48 o 12 5 0 167.18 15.68 40.04 o 13 5 0 272.25 8.41 174.51 o 14 5 0 787.92 5.11 790.16 o 15 5 0 136.42 20.25 1.27 o 16 5 0 1004.89 11.49 1059.44 o 17 5 0 173.45 29.05 0.01 o 0 6 0 43205.78 2.19 41099.94 o 1 6 0 56.40 40.07 35.46 o 2 6 0 8920.80 0.98 8985.06 o 3 6 0 3131.52 1.64 3175.54 o 4 6 0 1952.76 1.82 1896.40 o 5 6 0 59.60 44.36 29.79 o 6 6 0 3432.79 1.66 3294.24 o 7 6 0 1600.00 2.50 1426.33 o 8 6 0 2025.90 2.25 2124.32 o 9 6 0 288.32 7.02 229.72 o 10 6 0 2434.44 2.82 2418.63 o 11 6 0 195.72 10.24 107.01 o 12 6 0 4268.01 2.19 4172.22 o 13 6 0 58.06 23.62 0.52 o 14 6 0 1010.60 4.80 1139.05 o 15 6 0 838.68 7.34 723.19 o 16 6 0 458.82 10.76 494.14 o 1 7 0 7825.17 1.39 7898.96 o 2 7 0 1208.26 1.99 1157.58 o 3 7 0 136.42 6.20 101.43 o 4 7 0 1489.19 2.40 1480.63 o 5 7 0 311.17 5.20 286.02 o 6 7 0 564.54 4.45 680.63 o 7 7 0 75.52 15.92 66.96 o 8 7 0 1896.60 2.76 2016.55 o 9 7 0 145.68 9.30 128.56 o 10 7 0 693.80 5.62 553.26 o 11 7 0 1557.09 3.06 1666.51 o 12 7 0 434.31 5.76 312.08 o 13 7 0 282.58 7.02 333.51 o 14 7 0 1566.58 6.81 1119.57 o 15 7 0 264.71 13.47 228.96 o 16 7 0 446.05 15.44 580.07 o 0 8 0 28395.62 2.62 27071.37 o 1 8 0 209.38 12.46 113.79 o 2 8 0 6294.84 1.35 6556.93 o 3 8 0 2372.66 1.96 2531.52 o 4 8 0 408.44 4.28 473.02 o 5 8 0 1036.20 3.10 1003.58 o 6 8 0 41.34 57.00 2.30 o 7 8 0 2121.52 2.56 2206.79 o 8 8 0 2513.02 3.28 2427.60 o 9 8 0 414.12 6.92 425.63 o 10 8 0 1059.50 3.88 1026.27 o 11 8 0 903.00 3.72 915.35 o 12 8 0 1671.99 3.35 1431.96 o 13 8 0 99.60 30.03 0.83 o 14 8 0 131.56 38.07 22.29 o 15 8 0 648.72 15.13 680.20 o 16 8 0 81.36 75.86 45.79 o 1 9 0 12365.44 1.72 12379.41 o 2 9 0 800.32 3.03 804.66 o 3 9 0 1806.25 2.28 1630.19 o 4 9 0 1113.56 3.17 1123.46 o 5 9 0 873.20 4.12 857.17 o 6 9 0 4752.72 2.02 4661.93 o 7 9 0 1732.22 3.39 1490.21 o 8 9 0 265.04 7.84 325.39 o 9 9 0 637.56 4.54 667.30 o 10 9 0 1907.07 2.92 1943.58 o 11 9 0 2686.35 2.62 2719.92 o 12 9 0 336.36 5.71 302.50 o 13 9 0 661.00 8.82 803.25 o 14 9 0 316.48 8.47 184.72 o 15 9 0 308.70 35.52 317.37 o 0 10 0 4918.22 2.59 4901.30 o 1 10 0 227.10 14.36 73.05 o 2 10 0 2379.49 2.59 2881.20 o 3 10 0 13537.32 2.62 13216.94 o 4 10 0 69.56 55.06 30.52 o 5 10 0 404.01 6.35 438.72 o 6 10 0 365.57 6.50 368.25 o 7 10 0 2799.47 2.82 2642.73 o 8 10 0 166.67 16.08 37.97 o 9 10 0 663.06 4.37 643.13 o 10 10 0 1127.62 4.45 1052.98 o 11 10 0 97.02 10.18 11.31 o 12 10 0 745.29 5.57 703.73 o 13 10 0 230.74 22.09 129.50 o 14 10 0 239.01 16.73 173.20 o 15 10 0 1736.39 9.18 1626.18 o 1 11 0 847.97 5.48 649.03 o 2 11 0 287.30 6.86 335.33 o 3 11 0 183.33 11.90 227.21 o 4 11 0 179.29 12.67 127.99 o 5 11 0 85.75 49.56 3.92 o 6 11 0 1251.74 3.57 1205.40 o 7 11 0 851.47 4.58 716.97 o 8 11 0 277.22 9.49 288.83 o 9 11 0 616.53 5.11 677.18 o 10 11 0 730.08 4.80 628.10 o 11 11 0 880.90 6.15 768.88 o 12 11 0 132.94 26.63 2.94 o 13 11 0 1011.88 8.35 863.49 o 14 11 0 359.86 16.00 371.75 o 0 12 0 2110.48 2.82 2055.41 o 1 12 0 137.83 21.72 13.16 o 2 12 0 2026.80 3.13 1819.30 o 3 12 0 1381.61 3.65 1328.59 o 4 12 0 100.60 31.02 2.94 o 5 12 0 558.85 5.66 652.83 o 6 12 0 127.69 35.64 0.67 o 7 12 0 4531.98 2.79 4562.93 o 8 12 0 839.26 5.20 860.57 o 9 12 0 201.92 9.67 129.69 o 10 12 0 631.01 6.50 609.96 o 11 12 0 243.67 9.80 117.89 o 12 12 0 237.78 14.44 200.58 o 13 12 0 149.08 30.58 1.56 o 14 12 0 556.96 22.00 452.71 o 1 13 0 4173.16 2.34 3941.19 o 2 13 0 414.53 5.90 509.73 o 3 13 0 3274.13 2.79 3486.15 o 4 13 0 56.55 73.62 9.24 o 5 13 0 147.14 31.36 1.23 o 6 13 0 874.38 5.02 907.35 o 7 13 0 351.19 7.90 329.89 o 8 13 0 106.30 17.72 41.41 o 9 13 0 560.27 7.34 567.37 o 10 13 0 271.26 9.73 229.72 o 11 13 0 510.31 20.43 634.76 o 12 13 0 162.56 32.04 11.09 o 13 13 0 240.87 18.32 220.03 o 0 14 0 3335.06 2.79 3262.00 o 1 14 0 690.11 5.02 725.42 o 2 14 0 2282.93 3.24 2457.89 o 3 14 0 1573.71 3.92 1515.90 o 4 14 0 322.92 8.18 278.51 o 5 14 0 1179.92 4.88 1214.04 o 6 14 0 109.41 36.00 32.75 o 7 14 0 1416.02 4.33 1455.88 o 8 14 0 96.04 29.92 115.03 o 9 14 0 472.19 4.75 373.99 o 10 14 0 162.82 10.82 265.40 o 11 14 0 319.69 29.70 1.25 o 12 14 0 156.50 31.14 1.44 o 1 15 0 4340.17 2.92 4054.30 o 2 15 0 98.01 32.60 0.65 o 3 15 0 1582.45 4.16 1834.87 o 4 15 0 372.49 18.75 370.80 o 5 15 0 294.81 11.22 140.66 o 6 15 0 426.84 7.73 414.43 o 7 15 0 216.68 11.70 191.76 o 8 15 0 69.56 27.46 13.04 o 9 15 0 551.78 67.90 568.56 o 10 15 0 445.21 21.07 408.72 o 11 15 0 916.27 19.98 1192.78 o 0 16 0 316.48 10.56 404.38 o 1 16 0 696.96 5.66 558.72 o 2 16 0 91.58 15.76 27.66 o 3 16 0 1689.21 4.62 1516.54 o 4 16 0 52.42 87.80 2.91 o 5 16 0 1061.46 6.35 927.42 o 6 16 0 114.92 47.33 10.87 o 7 16 0 990.99 6.50 948.22 o 8 16 0 50.84 80.46 47.37 o 9 16 0 367.11 14.75 393.79 o 10 16 0 208.22 62.41 51.44 o 1 17 0 693.80 6.25 918.86 o 2 17 0 146.41 35.40 254.71 o 3 17 0 1673.63 6.97 1318.95 o 4 17 0 37.58 56.25 78.83 o 5 17 0 180.63 34.11 7.02 o 6 17 0 193.21 16.81 69.56 o 7 17 0 203.92 25.81 4.05 o 8 17 0 392.44 69.22 1.42 o 0 18 0 340.77 9.80 349.11 o 1 18 0 176.36 14.06 227.96 o 2 18 0 33.52 103.84 5.26 o 3 18 0 441.42 11.02 527.08 o 4 18 0 186.60 24.80 18.76 o 5 18 0 2091.23 5.66 2182.74 o 6 18 0 171.35 19.89 26.62 o 1 19 0 1561.04 7.34 1477.45 o 2 19 0 229.52 19.89 41.84 o 3 19 0 1394.28 27.77 1257.13 o -17 0 1 226.80 14.90 85.89 o -15 0 1 1128.29 4.49 1411.35 o -13 0 1 1194.39 4.04 1096.41 o -11 0 1 6157.54 2.04 6184.14 o -9 0 1 2461.15 1.99 2493.33 o -7 0 1 153.02 8.70 234.76 o -5 0 1 5050.94 1.12 5133.60 o 3 0 1 1791.83 1.61 1622.18 o 5 0 1 2566.44 1.32 2510.73 o 7 0 1 5452.35 1.72 5193.11 o 9 0 1 5336.30 1.90 5154.98 o 11 0 1 1079.12 4.00 1032.65 o 13 0 1 2938.72 2.86 2658.08 o 15 0 1 107.95 35.76 140.66 o 17 0 1 514.38 15.05 212.48 o -18 1 1 118.81 35.16 6.34 o -17 1 1 904.81 14.67 833.10 o -16 1 1 113.21 14.59 178.25 o -15 1 1 908.42 5.76 927.92 o -14 1 1 120.34 27.14 17.36 o -13 1 1 1538.99 4.00 1361.40 o -12 1 1 125.44 24.80 13.83 o -11 1 1 3685.70 2.25 3728.87 o -10 1 1 2364.88 2.59 2151.89 o -9 1 1 626.50 4.04 694.09 o -8 1 1 1000.46 2.50 926.92 o -7 1 1 4079.38 1.35 4511.60 o -6 1 1 403.61 2.92 417.81 o -5 1 1 13518.71 0.92 14074.01 o -4 1 1 1514.77 1.30 1470.45 o -3 1 1 19326.56 0.94 19210.59 o 3 1 1 1594.40 1.69 1477.45 o 4 1 1 1561.83 1.17 1680.06 o 5 1 1 9477.02 1.08 9834.85 o 6 1 1 498.63 3.39 570.53 o 7 1 1 7537.71 1.39 7226.41 o 8 1 1 101.81 31.58 28.71 o 9 1 1 6464.16 2.10 6026.24 o 10 1 1 97.02 20.79 85.13 o 11 1 1 499.08 6.20 420.52 o 12 1 1 150.31 11.70 125.38 o 13 1 1 1620.06 3.69 1637.56 o 14 1 1 226.50 8.76 271.64 o 15 1 1 1890.51 4.33 2018.78 o 16 1 1 138.30 24.01 0.19 o 17 1 1 1424.31 24.80 1502.38 o -18 2 1 233.78 12.11 200.81 o -17 2 1 101.20 25.81 32.85 o -16 2 1 185.78 19.45 52.88 o -15 2 1 997.93 5.66 843.65 o -14 2 1 129.28 12.04 113.79 o -13 2 1 192.93 11.70 82.55 o -12 2 1 345.22 6.50 381.07 o -11 2 1 8239.19 2.07 8128.79 o -10 2 1 651.78 4.16 677.61 o -9 2 1 8317.44 1.61 8293.90 o -8 2 1 2533.11 1.85 2488.37 o -7 2 1 81.00 15.44 23.23 o -6 2 1 209.09 4.84 206.48 o -5 2 1 6248.90 0.92 6446.08 o -4 2 1 839.84 1.64 954.35 o -3 2 1 49479.55 4.71 48542.03 o 2 2 1 1445.52 1.37 1405.76 o 3 2 1 3825.42 1.14 3808.19 o 4 2 1 158.26 4.71 227.21 o 5 2 1 176.36 5.62 120.79 o 6 2 1 4609.05 1.37 4327.71 o 7 2 1 4703.22 1.32 4532.77 o 8 2 1 802.02 3.17 723.64 o 9 2 1 5662.56 2.07 5547.52 o 10 2 1 149.82 19.71 21.59 o 11 2 1 3535.49 2.50 3392.90 o 12 2 1 151.78 22.28 62.95 o 13 2 1 2007.94 3.42 2035.93 o 14 2 1 127.01 15.13 140.47 o 15 2 1 410.47 6.40 495.25 o 16 2 1 201.36 11.09 208.39 o 17 2 1 286.96 15.21 205.77 o -17 3 1 573.60 9.30 464.77 o -16 3 1 145.44 30.25 11.20 o -15 3 1 400.00 6.76 404.38 o -14 3 1 792.42 5.66 672.44 o -13 3 1 557.43 5.76 452.00 o -12 3 1 145.93 16.97 1.48 o -11 3 1 968.45 4.75 711.22 o -10 3 1 655.87 4.00 688.43 o -9 3 1 3860.14 2.10 3774.53 o -8 3 1 168.22 7.51 180.69 o -7 3 1 5053.79 1.44 5279.41 o -6 3 1 560.74 2.46 569.74 o -5 3 1 15163.46 1.35 15783.50 o -4 3 1 2972.43 1.23 3000.67 o -3 3 1 7294.87 1.00 7426.32 o -2 3 1 2589.79 1.17 2468.58 o -1 3 1 2653.28 0.81 2435.77 o 0 3 1 258.24 3.42 208.39 o 1 3 1 25100.06 1.93 24848.71 o 2 3 1 1349.09 1.37 1283.70 o 3 3 1 7832.25 1.30 8224.65 o 4 3 1 185.78 3.57 200.81 o 5 3 1 1071.91 1.69 1389.04 o 6 3 1 408.44 3.17 345.72 o 7 3 1 7354.78 1.28 7296.99 o 8 3 1 2602.02 1.96 2445.59 o 9 3 1 2439.37 2.59 2188.16 o 10 3 1 318.27 5.95 282.39 o 11 3 1 670.81 5.15 694.09 o 12 3 1 348.57 6.86 374.95 o 13 3 1 609.10 6.10 507.49 o 14 3 1 1106.89 4.75 1067.00 o 15 3 1 600.74 6.00 734.82 o 16 3 1 244.92 20.61 50.14 o 17 3 1 417.79 9.86 699.34 o -17 4 1 281.23 23.23 121.34 o -16 4 1 105.06 37.33 14.33 o -15 4 1 688.01 6.76 755.62 o -14 4 1 132.48 14.98 50.50 o -13 4 1 271.92 8.24 121.34 o -12 4 1 137.12 13.25 47.83 o -11 4 1 3525.98 2.50 3349.62 o -10 4 1 926.59 3.57 1004.11 o -9 4 1 6242.58 1.64 6155.52 o -8 4 1 2419.66 1.90 2373.23 o -7 4 1 343.36 4.16 360.97 o -6 4 1 1389.80 2.16 1398.93 o -5 4 1 3049.25 1.44 3269.57 o -4 4 1 7118.30 1.14 6954.44 o -3 4 1 21010.50 1.04 21956.27 o -2 4 1 1239.04 1.42 1289.64 o -1 4 1 24862.98 0.66 23677.40 o 0 4 1 8262.81 1.02 8205.14 o 1 4 1 221.12 11.56 160.99 o 2 4 1 4023.36 1.12 4062.74 o 3 4 1 4918.22 1.14 5014.43 o 4 4 1 59.60 35.16 1.52 o 5 4 1 606.14 2.59 554.82 o 6 4 1 951.72 2.37 1031.58 o 7 4 1 8076.62 1.51 8154.20 o 8 4 1 57.00 25.40 26.88 o 9 4 1 1411.50 2.66 1402.65 o 10 4 1 96.63 9.55 94.86 o 11 4 1 305.90 7.45 184.94 o 12 4 1 802.59 4.67 779.95 o 13 4 1 3177.58 2.96 3081.05 o 14 4 1 188.51 9.42 199.87 o 15 4 1 314.35 13.25 197.31 o 16 4 1 792.99 8.70 732.58 o 17 4 1 163.33 30.25 9.34 o -17 5 1 672.88 18.23 880.61 o -16 5 1 137.59 20.70 56.30 o -15 5 1 1071.91 5.34 1045.46 o -14 5 1 357.97 6.97 361.92 o -13 5 1 425.18 6.45 407.72 o -12 5 1 41.73 77.44 0.65 o -11 5 1 984.70 4.62 716.97 o -10 5 1 1718.93 2.72 1851.23 o -9 5 1 388.88 5.81 375.60 o -8 5 1 574.56 4.45 533.95 o -7 5 1 1158.04 2.53 1317.15 o -6 5 1 820.25 2.50 798.09 o -5 5 1 10334.76 1.35 10581.14 o -4 5 1 607.13 2.66 553.26 o -3 5 1 10586.35 1.02 10769.40 o -2 5 1 1434.89 1.46 1478.72 o -1 5 1 4164.12 1.10 4017.47 o 0 5 1 2295.37 1.42 2514.05 o 1 5 1 10.37 261.47 10.65 o 2 5 1 3330.44 1.21 3278.10 o 3 5 1 4637.61 1.00 4670.98 o 4 5 1 82.63 7.13 110.29 o 5 5 1 6796.35 1.39 6954.44 o 6 5 1 14.36 170.56 7.84 o 7 5 1 7574.22 1.32 7464.91 o 8 5 1 144.96 10.37 94.22 o 9 5 1 2889.06 2.37 2524.03 o 10 5 1 292.41 6.71 166.08 o 11 5 1 214.33 8.70 38.17 o 12 5 1 1498.46 3.53 1275.40 o 13 5 1 1004.89 4.41 1007.78 o 14 5 1 294.47 9.55 271.64 o 15 5 1 2139.06 5.29 2327.45 o 16 5 1 87.05 71.57 0.83 o -17 6 1 159.77 41.99 48.40 o -16 6 1 129.28 20.07 48.40 o -15 6 1 956.66 5.90 1047.61 o -14 6 1 1241.15 3.84 1154.76 o -13 6 1 87.80 12.96 50.50 o -12 6 1 310.46 8.41 179.58 o -11 6 1 3402.39 2.43 3291.39 o -10 6 1 81.18 38.19 8.16 o -9 6 1 2374.61 2.62 2357.12 o -8 6 1 401.60 5.90 405.04 o -7 6 1 89.87 30.80 51.68 o -6 6 1 67.57 33.76 57.81 o -5 6 1 8669.47 1.32 8506.44 o -4 6 1 173.45 6.00 257.36 o -3 6 1 17998.91 1.08 18476.19 o -2 6 1 802.02 2.37 871.29 o -1 6 1 23350.90 1.30 21975.91 o 0 6 1 4290.25 1.35 4414.23 o 1 6 1 1699.91 1.77 1949.43 o 2 6 1 -7.62 412.50 2.66 o 3 6 1 504.45 3.53 537.01 o 4 6 1 91.01 17.22 8.50 o 5 6 1 143.52 8.35 168.22 o 6 6 1 2580.64 2.13 2481.76 o 7 6 1 3422.25 1.80 3338.12 o 8 6 1 91.20 12.32 44.78 o 9 6 1 4961.79 2.02 4888.55 o 10 6 1 648.21 4.24 632.67 o 11 6 1 1523.34 2.76 1456.51 o 12 6 1 79.74 10.37 25.86 o 13 6 1 2511.01 2.37 2454.61 o 14 6 1 123.21 30.91 17.29 o 15 6 1 214.33 12.46 101.76 o 16 6 1 305.90 14.21 419.51 o -16 7 1 63.36 99.20 45.90 o 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