#------------------------------------------------------------------------------ #$Date: 2024-07-02 01:14:19 +0300 (Tue, 02 Jul 2024) $ #$Revision: 292666 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/57/20/1572017.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_1572017 loop_ _publ_author_name 'Krieft, Jonas' 'Trapp, Pia Charlotte' 'Vishnevskiy, Yury V.' 'Neumann, Beate' 'Stammler, Georg' 'Lamm, Jan-Hendrik' 'Mitzel, Norbert Werner' _publ_section_title ; A Geminal Antimony(III)/Phosphorus(III) Frustrated Lewis Pair ; _journal_name_full 'Chemical Science' _journal_paper_doi 10.1039/D4SC02785J _journal_year 2024 _chemical_formula_moiety 'C14 H20 F10 P S2 Sb' _chemical_formula_sum 'C14 H20 F10 P S2 Sb' _chemical_formula_weight 595.14 _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens difmap _atom_sites_solution_primary dual _audit_creation_date 2021-07-23 _audit_creation_method ; Olex2 1.3-ac4 (compiled 2019.04.23 svn.r3594 for Rigaku Oxford Diffraction, GUI svn.r5739) ; _audit_update_record ; 2024-04-23 deposited with the CCDC. 2024-07-01 downloaded from the CCDC. ; _cell_angle_alpha 74.243(7) _cell_angle_beta 74.812(7) _cell_angle_gamma 70.602(7) _cell_formula_units_Z 2 _cell_length_a 8.6271(6) _cell_length_b 11.2928(9) _cell_length_c 12.0061(10) _cell_measurement_reflns_used 9281 _cell_measurement_temperature 100.01(10) _cell_measurement_theta_max 32.5440 _cell_measurement_theta_min 3.6100 _cell_volume 1042.64(15) _computing_cell_refinement 'CrysAlisPro 1.171.41.104a (Rigaku OD, 2021)' _computing_data_collection 'CrysAlisPro 1.171.41.104a (Rigaku OD, 2021)' _computing_data_reduction 'CrysAlisPro 1.171.41.104a (Rigaku OD, 2021)' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL (Sheldrick, 2015)' _computing_structure_solution 'ShelXT (Sheldrick, 2015)' _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 100.01(10) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 5.3114 _diffrn_detector_type Atlas _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.860 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames #-------------------------------------------------------------------------- 1 \w -42.00 13.00 1.00 13.28 -- -17.14 -77.00 120.00 55 2 \w -87.00 -39.00 1.00 13.28 -- -17.14 149.00 -86.78 48 3 \w -42.00 13.00 1.00 13.28 -- -17.14 -77.00 -90.00 55 4 \w -68.00 94.00 1.00 13.28 -- 17.14 0.00-120.00 162 5 \w -1.00 85.00 1.00 13.28 -- 17.14 38.00 -60.00 86 6 \w 7.00 17.00 1.00 13.28 -- 17.14 38.00 120.00 10 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'SuperNova, Dual, Cu at home/near, Atlas' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 0.0598846000 _diffrn_orient_matrix_UB_12 -0.0610527000 _diffrn_orient_matrix_UB_13 0.0033226000 _diffrn_orient_matrix_UB_21 -0.0278911000 _diffrn_orient_matrix_UB_22 -0.0140819000 _diffrn_orient_matrix_UB_23 0.0619049000 _diffrn_orient_matrix_UB_31 -0.0592951000 _diffrn_orient_matrix_UB_32 -0.0264300000 _diffrn_orient_matrix_UB_33 -0.0080513000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0343 _diffrn_reflns_av_unetI/netI 0.0443 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.860 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_number 13487 _diffrn_reflns_point_group_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.860 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 32.808 _diffrn_reflns_theta_min 2.754 _diffrn_source 'micro-focus sealed X-ray tube' _diffrn_source_type 'SuperNova (Mo) X-ray Source' _exptl_absorpt_coefficient_mu 1.685 _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_correction_T_min 0.921 _exptl_absorpt_correction_type gaussian _exptl_absorpt_process_details ; CrysAlisPro 1.171.41.104a (Rigaku Oxford Diffraction, 2021) Numerical absorption correction based on gaussian integration over a multifaceted crystal model Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour 'clear red' _exptl_crystal_colour_lustre clear _exptl_crystal_colour_primary red _exptl_crystal_density_diffrn 1.896 _exptl_crystal_description block _exptl_crystal_F_000 584 _exptl_crystal_size_max 0.14 _exptl_crystal_size_mid 0.1 _exptl_crystal_size_min 0.05 _refine_diff_density_max 0.725 _refine_diff_density_min -0.719 _refine_diff_density_rms 0.123 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.069 _refine_ls_hydrogen_treatment refall _refine_ls_matrix_type full _refine_ls_number_parameters 333 _refine_ls_number_reflns 6656 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.069 _refine_ls_R_factor_all 0.0315 _refine_ls_R_factor_gt 0.0292 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0343P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0696 _refine_ls_wR_factor_ref 0.0723 _reflns_Friedel_coverage 0.000 _reflns_number_gt 6207 _reflns_number_total 6656 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d4sc02785j2.cif _cod_data_source_block 2 _cod_database_code 1572017 _shelx_shelxl_version_number 2018/3 _chemical_oxdiff_formula C14H20F10PS2Sb _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_max 0.921 _shelx_estimated_absorpt_t_min 0.798 _reflns_odcompleteness_completeness 98.31 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 30.01 _olex2_refinement_description ; ; _shelx_res_file ; TITL krieft16_a.res in P-1 krieft16.res created by SHELXL-2018/3 at 14:11:21 on 23-Jul-2021 REM Old TITL krieft16 in P-1 REM SHELXT solution in P-1: R1 0.069, Rweak 0.007, Alpha 0.037 REM 0.000 for 0 systematic absences, Orientation as input REM Formula found by SHELXT: C14 F10 P S2 Sb CELL 0.71073 8.6271 11.2928 12.0061 74.243 74.812 70.602 ZERR 2 0.0006 0.0009 0.001 0.007 0.007 0.007 LATT 1 SFAC C H F P S Sb UNIT 28 40 20 2 4 2 L.S. 4 0 0 PLAN 4 SIZE 0.05 0.1 0.14 TEMP -173 BOND $h more -1 conf list 4 fmap 2 53 acta REM REM REM WGHT 0.034300 FVAR 0.58870 SB1 6 0.484175 0.566511 0.274917 11.00000 0.01412 0.00916 = 0.01308 -0.00286 -0.00457 -0.00156 S1 5 0.375951 0.365174 0.466734 11.00000 0.01320 0.01966 = 0.01721 -0.00451 0.00002 -0.00148 S2 5 0.655492 0.167164 0.573093 11.00000 0.02330 0.01438 = 0.01321 -0.00008 -0.00363 -0.00197 P1 4 0.698293 0.253289 0.312514 11.00000 0.01083 0.00912 = 0.01178 -0.00194 -0.00192 -0.00186 F1 3 0.268583 0.650356 0.086324 11.00000 0.03250 0.03328 = 0.02140 0.00561 -0.01515 -0.01477 F2 3 0.222411 0.482832 0.213671 11.00000 0.02105 0.01874 = 0.03177 -0.00483 -0.00817 -0.00880 F3 3 0.058812 0.627994 0.377459 11.00000 0.02176 0.10594 = 0.03477 -0.03941 0.00057 -0.00509 F4 3 -0.037244 0.699302 0.217485 11.00000 0.01947 0.05632 = 0.06336 -0.03317 -0.02441 0.00938 F5 3 0.114924 0.794859 0.256120 11.00000 0.03578 0.03701 = 0.11139 -0.05056 -0.03599 0.01636 F6 3 0.590849 0.633626 -0.001412 11.00000 0.04041 0.01799 = 0.01622 -0.00562 -0.00501 -0.01103 F7 3 0.776067 0.620988 0.097631 11.00000 0.01723 0.01955 = 0.02725 -0.00109 -0.00093 -0.00470 F8 3 0.606810 0.846491 0.155159 11.00000 0.04477 0.02225 = 0.02401 -0.00849 -0.00435 -0.01778 F9 3 0.401011 0.861261 0.077822 11.00000 0.03259 0.01226 = 0.06876 -0.00273 -0.02052 -0.00032 F10 3 0.642733 0.860023 -0.031189 11.00000 0.06378 0.01786 = 0.01946 -0.00036 0.00176 -0.01710 C1 1 0.252726 0.596476 0.203394 11.00000 0.01752 0.01632 = 0.01861 -0.00469 -0.00611 -0.00372 C2 1 0.093988 0.680409 0.264578 11.00000 0.01818 0.04076 = 0.04618 -0.02764 -0.01582 0.00704 C3 1 0.607701 0.664774 0.096387 11.00000 0.02063 0.01078 = 0.01619 -0.00343 -0.00439 -0.00444 C4 1 0.564881 0.809896 0.073427 11.00000 0.02734 0.01377 = 0.01943 -0.00289 -0.00414 -0.00686 C5 1 0.603866 0.388134 0.208924 11.00000 0.01753 0.00986 = 0.01232 -0.00192 -0.00435 -0.00132 H5A 2 0.517534 0.370673 0.189483 11.00000 0.01998 H5B 2 0.674106 0.405331 0.141900 11.00000 0.02704 C6 1 0.914361 0.262582 0.301422 11.00000 0.01186 0.01666 = 0.01756 -0.00204 -0.00222 -0.00422 C7 1 0.896280 0.366477 0.368343 11.00000 0.02248 0.02949 = 0.02366 -0.00800 -0.00317 -0.01437 H7A 2 1.001808 0.375718 0.359365 11.00000 0.03441 H7B 2 0.828498 0.449461 0.335451 11.00000 0.04773 H7C 2 0.850560 0.343961 0.447416 11.00000 0.03344 C8 1 0.995883 0.302012 0.172852 11.00000 0.01764 0.02120 = 0.02013 -0.00183 0.00145 -0.00759 H8A 2 0.939713 0.388451 0.136705 11.00000 0.02507 H8B 2 1.106629 0.300400 0.173176 11.00000 0.02523 H8C 2 0.997271 0.242435 0.130413 11.00000 0.02381 C9 1 1.027474 0.134736 0.355807 11.00000 0.01502 0.02479 = 0.03028 0.00190 -0.00614 -0.00479 H9A 2 1.052312 0.073081 0.304797 11.00000 0.03305 H9B 2 1.137644 0.149595 0.349985 11.00000 0.04301 H9C 2 0.978496 0.101109 0.437861 11.00000 0.03755 C10 1 0.684991 0.105884 0.276424 11.00000 0.01682 0.01123 = 0.01525 -0.00338 -0.00264 -0.00385 C11 1 0.499736 0.128087 0.272766 11.00000 0.02107 0.01624 = 0.02713 -0.00418 -0.00743 -0.00738 H11A 2 0.472394 0.188962 0.208102 11.00000 0.02472 H11B 2 0.487290 0.052023 0.260491 11.00000 0.02532 H11C 2 0.424380 0.147824 0.341032 11.00000 0.03902 C12 1 0.793408 0.089121 0.155067 11.00000 0.02967 0.01699 = 0.01773 -0.00712 -0.00024 -0.00834 H12A 2 0.903626 0.066581 0.158379 11.00000 0.01634 H12B 2 0.764808 0.021352 0.137625 11.00000 0.02288 H12C 2 0.759901 0.163544 0.096908 11.00000 0.02740 C13 1 0.737004 -0.015546 0.368508 11.00000 0.02552 0.00958 = 0.02191 -0.00124 -0.00646 -0.00300 H13A 2 0.847775 -0.037623 0.379226 11.00000 0.02583 H13B 2 0.665557 -0.004200 0.445266 11.00000 0.03252 H13C 2 0.725935 -0.087526 0.341252 11.00000 0.01619 C14 1 0.570087 0.263996 0.460670 11.00000 0.01582 0.01067 = 0.01449 -0.00262 -0.00154 -0.00472 HKLF 4 REM krieft16_a.res in P-1 REM wR2 = 0.0723, GooF = S = 1.069, Restrained GooF = 1.069 for all data REM R1 = 0.0292 for 6207 Fo > 4sig(Fo) and 0.0315 for all 6656 data REM 333 parameters refined using 0 restraints END WGHT 0.0343 0.0000 REM Highest difference peak 0.725, deepest hole -0.719, 1-sigma level 0.123 Q1 1 0.5799 0.6049 0.2864 11.00000 0.05 0.72 Q2 1 0.5959 0.5169 0.2533 11.00000 0.05 0.63 Q3 1 0.7224 0.0585 0.3256 11.00000 0.05 0.60 Q4 1 0.3921 0.5186 0.2749 11.00000 0.05 0.58 ; _shelx_res_checksum 16440 _shelx_hkl_file ; 0 0 2 4383.96 101.92 0 0 -2 4703.84 102.15 0 0 3 457.00 15.81 0 0 -3 500.30 16.44 0 0 4 1577.08 43.30 0 0 -4 1647.76 43.32 0 0 5 1046.18 31.92 0 0 -5 944.65 30.72 0 0 6 954.49 32.10 0 0 -6 902.89 31.09 0 0 -7 1030.86 35.18 0 0 -7 978.13 35.63 0 0 7 1104.87 36.92 0 0 -7 1024.34 35.60 0 0 -8 3.61 1.77 0 0 8 2.16 0.53 0 0 9 341.77 20.87 0 0 -9 389.62 11.16 0 0 -9 387.80 21.52 0 0 10 37.04 6.85 0 0 -10 38.52 6.75 0 0 -11 1167.25 46.03 0 0 11 1103.59 45.50 0 0 -12 72.90 10.66 0 0 12 64.19 9.99 0 0 13 60.79 10.13 0 0 -13 52.64 9.29 0 0 -14 161.87 17.37 0 0 14 143.40 16.98 0 0 15 71.07 12.02 0 0 -15 69.80 11.73 0 0 -16 204.86 21.17 0 0 16 165.11 19.76 0 -1 16 112.57 16.50 0 1 -15 893.39 46.25 0 -1 15 752.74 44.46 0 -1 14 11.57 4.99 0 1 -14 8.81 3.62 0 1 -13 194.33 18.53 0 -1 13 190.03 18.51 0 -1 12 44.11 8.14 0 1 -12 40.16 7.97 0 -1 11 189.95 16.72 0 1 -11 160.87 15.37 0 1 -10 6.93 2.72 0 -1 10 13.88 4.15 0 1 -9 612.82 28.94 0 -1 9 652.97 29.89 0 1 -8 486.05 23.63 0 -1 8 503.21 24.22 0 1 -7 1191.80 39.38 0 1 -7 1060.02 37.97 0 -1 7 1266.95 39.84 0 -1 7 1047.48 37.98 0 1 -6 393.93 18.12 0 -1 6 384.91 17.94 0 -1 6 382.87 18.12 0 -1 5 7.50 2.11 0 1 -5 3.57 1.36 0 1 -5 6.52 1.78 0 -1 5 6.37 1.89 0 -1 4 2398.60 62.97 0 1 -4 2444.13 62.61 0 -1 3 104.59 6.42 0 -1 3 90.81 6.04 0 1 -3 85.75 5.91 0 1 -2 202.40 8.73 0 -1 2 226.84 8.61 0 -1 -2 6238.54 140.25 0 -1 -2 5729.57 140.21 0 -1 -3 23.98 2.63 0 -1 -3 22.08 2.67 0 1 3 24.46 2.91 0 -1 -4 1945.51 47.30 0 1 4 1853.91 48.64 0 -1 -5 2304.75 60.35 0 1 5 2119.25 60.65 0 1 6 542.31 22.12 0 1 6 577.81 21.84 0 -1 -6 518.04 20.85 0 -1 -7 3222.70 89.52 0 -1 -7 3297.23 88.28 0 1 7 3326.37 90.15 0 1 8 13.61 3.17 0 -1 -8 12.62 3.35 0 1 9 12.34 3.76 0 -1 -9 10.60 3.16 0 -1 -10 471.27 25.17 0 1 10 456.83 25.30 0 -1 -11 1880.34 63.75 0 1 11 1918.89 65.13 0 -1 -12 908.67 41.31 0 1 12 1008.90 44.29 0 1 13 11.64 4.45 0 -1 -13 12.84 4.42 0 -1 -14 136.62 15.75 0 1 14 172.61 18.32 0 1 15 24.77 7.12 0 -1 -15 24.79 6.68 0 -1 -16 257.21 23.68 0 1 16 199.92 22.01 0 2 -15 375.07 29.28 0 -2 15 353.34 28.90 0 -2 14 3.13 3.05 0 2 -14 5.79 3.08 0 2 -13 443.88 29.80 0 -2 13 474.05 30.53 0 2 -12 151.21 16.07 0 -2 12 163.48 16.46 0 2 -11 802.62 37.45 0 -2 11 711.08 35.55 0 2 -10 499.53 28.24 0 -2 10 630.23 30.54 0 2 -9 389.57 22.71 0 -2 9 379.81 22.13 0 2 -8 2015.58 62.85 0 -2 8 2075.85 62.74 0 2 -7 436.81 20.68 0 2 -7 479.77 22.26 0 2 -6 627.23 24.56 0 2 -6 589.08 24.72 0 -2 5 203.21 11.65 0 2 -5 196.52 11.35 0 -2 4 5208.57 119.57 0 2 -4 4982.12 118.89 0 -2 3 1314.73 37.50 0 2 -3 1372.83 39.02 0 -2 2 767.72 21.96 0 -2 2 659.06 19.93 0 -2 1 2235.15 53.36 0 -2 0 419.83 12.91 0 -2 -1 2473.51 57.39 0 -2 -2 1122.18 29.40 0 2 2 1167.40 30.13 0 2 3 3333.02 72.54 0 -2 -3 3131.64 72.34 0 -2 -4 1864.06 47.88 0 2 4 1923.56 48.48 0 -2 -4 1829.54 47.83 0 2 4 1990.02 49.79 0 2 5 247.27 12.33 0 -2 -5 278.97 12.68 0 2 5 270.85 13.69 0 2 5 290.00 13.64 0 -2 -5 250.81 12.47 0 -2 -6 7.18 2.07 0 2 6 6.87 2.04 0 -2 -6 7.10 1.93 0 2 6 12.42 2.73 0 -2 -7 1832.59 53.29 0 2 7 1876.47 55.68 0 2 7 1953.67 55.48 0 -2 -7 1845.55 53.80 0 -2 -8 18.89 3.93 0 2 8 22.99 4.66 0 -2 -9 745.96 31.15 0 2 9 774.53 32.93 0 -2 -10 350.20 20.85 0 2 10 364.63 22.74 0 -2 -11 101.93 11.35 0 2 11 108.44 12.36 0 2 12 1208.00 49.68 0 -2 -12 1242.75 48.66 0 -2 -12 1165.60 34.51 0 -2 -13 217.99 18.83 0 2 13 233.25 20.31 0 -2 -14 468.24 30.03 0 2 14 470.05 31.09 0 2 15 9.04 4.61 0 -2 -15 7.10 3.76 0 -2 -16 554.48 35.31 0 2 16 489.08 35.07 0 -3 15 2.21 1.61 0 3 -15 6.41 3.41 0 -3 14 38.55 8.90 0 3 -14 32.72 8.14 0 -3 13 412.81 29.10 0 3 -13 464.97 30.89 0 -3 12 305.22 23.02 0 3 -12 274.23 22.34 0 3 -11 5.24 2.93 0 -3 11 3.88 1.68 0 3 -10 586.89 31.50 0 -3 10 674.81 32.38 0 3 -9 657.32 31.30 0 -3 9 593.61 29.40 0 3 -8 262.39 17.43 0 -3 8 235.44 16.29 0 -3 7 114.42 10.26 0 -3 6 2531.80 69.25 0 -3 5 160.54 10.50 0 -3 4 2904.67 73.10 0 -3 4 2886.91 65.47 0 3 -4 2883.89 75.21 0 -3 3 212.78 11.33 0 -3 3 188.16 9.68 0 -3 2 1598.91 42.81 0 -3 1 2499.07 61.09 0 -3 0 60.25 4.59 0 -3 -1 1712.76 39.73 0 3 1 1391.99 38.60 0 -3 -2 34.07 3.31 0 3 2 38.09 3.53 0 -3 -2 31.57 3.22 0 -3 -3 1037.65 30.51 0 3 3 1181.16 31.48 0 -3 -3 1142.00 30.43 0 3 3 1043.87 29.95 0 3 3 948.91 29.16 0 3 4 840.60 27.24 0 -3 -4 851.61 26.41 0 3 4 834.46 26.10 0 3 4 872.24 26.64 0 -3 -5 156.24 9.36 0 3 5 164.41 9.95 0 -3 -5 162.49 9.82 0 3 5 155.34 10.06 0 -3 -6 420.02 18.15 0 -3 -6 422.91 18.32 0 3 6 421.89 18.65 0 3 6 430.09 19.79 0 3 7 1509.57 45.41 0 3 7 1520.45 47.32 0 -3 -7 1536.69 48.18 0 -3 -7 1489.61 45.44 0 3 8 1472.24 48.69 0 -3 -8 1492.57 47.38 0 -3 -9 1.02 1.14 0 3 9 2.30 0.68 0 -3 -10 166.24 13.85 0 3 10 166.97 14.50 0 -3 -11 208.18 16.51 0 3 11 191.59 16.57 0 -3 -12 94.71 11.64 0 3 12 110.95 13.01 0 3 13 191.52 18.17 0 -3 -13 182.35 17.09 0 -3 -13 187.08 11.54 0 -3 -14 446.73 28.99 0 3 14 467.04 30.76 0 3 15 35.35 8.49 0 -3 -15 23.15 6.69 0 -3 -16 89.71 13.31 0 3 16 87.52 14.15 0 -4 15 49.65 10.85 0 -4 14 341.74 27.58 0 4 -14 372.70 29.31 0 -4 13 4.10 3.12 0 4 -13 6.14 3.53 0 -4 12 227.65 20.13 0 4 -12 232.04 20.92 0 -4 11 481.64 28.74 0 4 -11 495.54 30.39 0 -4 10 368.41 23.58 0 4 -10 377.69 24.92 0 -4 9 6.79 2.85 0 4 -9 12.38 4.47 0 -4 8 617.70 28.63 0 -4 7 76.31 8.41 0 -4 6 775.36 29.66 0 4 -5 703.48 27.09 0 4 -5 642.41 27.37 0 -4 5 718.40 19.00 0 -4 5 618.68 25.25 0 4 -4 129.99 9.65 0 -4 4 118.00 6.19 0 -4 4 133.10 8.92 0 4 -3 425.42 18.41 0 -4 3 489.67 19.56 0 -4 3 456.76 17.45 0 4 -2 2653.38 66.83 0 -4 2 2582.53 66.59 0 -4 1 1242.68 35.99 0 4 -1 1273.83 36.00 0 4 0 4080.99 92.49 0 -4 0 3674.01 91.61 0 4 1 6861.06 153.19 0 -4 -1 6620.27 153.08 0 4 2 311.73 8.95 0 4 2 297.72 12.86 0 -4 -2 327.49 13.18 0 -4 -2 300.29 12.69 0 4 3 1011.99 29.69 0 -4 -3 1147.88 31.05 0 4 4 8.09 1.82 0 4 4 6.10 1.52 0 -4 -4 6.14 1.83 0 -4 -4 6.14 1.74 0 4 4 5.43 1.69 0 4 5 1314.06 41.52 0 -4 -5 1441.75 41.03 0 4 5 1396.71 41.02 0 4 6 3196.38 87.42 0 -4 -6 3254.79 85.63 0 -4 -6 3321.26 86.21 0 4 6 3524.49 87.61 0 -4 -7 19.51 3.95 0 4 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3.22 8 4 5 284.30 15.46 8 4 5 291.20 19.74 -8 -4 -5 279.49 9.79 8 4 6 2.82 0.92 -8 -4 -6 2.42 0.81 8 4 6 3.37 1.61 8 4 7 706.12 31.32 -8 -4 -7 737.44 22.20 8 4 7 700.84 29.75 8 4 8 320.27 20.19 -8 -4 -8 310.26 13.58 8 4 8 318.09 19.73 -8 -4 -9 794.83 26.64 8 4 9 757.38 35.59 -8 -4 -10 40.05 5.27 8 4 10 32.13 6.67 -8 -4 -11 149.44 11.36 8 4 11 150.72 15.52 8 4 12 132.75 15.21 8 4 13 178.68 18.74 8 4 14 784.94 43.57 8 4 15 32.12 8.49 8 5 -10 129.21 15.61 8 5 -9 11.30 4.25 8 5 -8 239.24 19.66 8 5 -7 14.99 4.50 8 5 -6 585.50 29.53 8 5 -5 74.01 9.11 8 5 -4 119.60 11.05 8 5 -3 138.33 14.37 8 5 -3 129.94 10.69 8 5 -2 664.95 33.50 8 5 -2 701.47 26.48 8 5 -1 1636.76 57.52 8 5 -1 1572.35 45.76 8 5 0 49.45 6.00 8 5 0 58.81 8.79 8 5 0 44.48 4.65 8 5 1 292.30 14.82 8 5 1 278.30 11.38 8 5 1 279.69 19.25 8 5 2 512.22 14.66 8 5 2 512.16 21.34 8 5 2 488.80 26.42 8 5 3 543.60 23.06 8 5 3 530.62 27.37 8 5 4 233.08 14.07 8 5 4 242.91 17.62 8 5 5 906.50 33.29 8 5 5 895.20 37.92 8 5 5 905.10 32.94 8 5 6 390.30 20.42 8 5 6 410.55 20.75 8 5 6 421.75 24.31 8 5 7 23.73 4.99 8 5 7 18.98 4.10 8 5 8 464.71 24.76 -8 -5 -8 484.48 14.23 8 5 8 480.06 25.32 -8 -5 -9 496.57 16.96 8 5 9 465.61 25.76 8 5 10 658.91 32.91 8 5 10 694.54 34.16 8 5 11 -0.01 1.68 8 5 11 2.85 1.87 8 5 12 135.68 15.06 8 5 13 29.36 7.46 8 5 14 151.89 17.78 8 5 15 18.48 6.26 8 6 -9 65.16 10.36 8 6 -8 8.43 3.82 8 6 -7 -1.84 0.55 8 6 -6 203.38 16.36 8 6 -5 19.14 4.81 8 6 -4 117.62 10.85 8 6 -3 320.54 17.54 8 6 -3 291.60 21.91 8 6 -2 212.95 12.92 8 6 -2 187.03 16.63 8 6 -1 195.99 11.04 8 6 -1 192.26 16.26 8 6 0 129.28 7.68 8 6 0 112.44 12.15 8 6 1 497.21 19.88 8 6 1 527.31 15.43 8 6 1 530.21 27.36 8 6 1 498.44 15.22 8 6 2 120.70 9.94 8 6 2 132.66 12.77 8 6 3 217.69 13.98 8 6 3 229.61 16.93 8 6 4 892.41 37.96 8 6 4 950.31 31.41 8 6 5 741.11 30.25 8 6 5 687.32 32.20 8 6 5 728.35 27.57 8 6 6 892.24 34.86 8 6 6 893.26 33.02 8 6 6 845.23 37.01 8 6 7 5.15 2.65 8 6 7 0.52 1.48 8 6 8 311.31 18.94 8 6 8 295.73 19.26 8 6 9 12.22 3.55 8 6 9 5.49 3.30 8 6 10 995.48 41.65 8 6 10 1066.83 44.12 8 6 11 213.46 17.84 8 6 12 55.25 9.25 8 6 12 60.18 10.31 8 6 13 192.02 18.77 8 6 14 33.32 7.91 8 6 15 137.43 17.15 8 6 16 215.57 22.73 8 7 -8 21.15 5.81 8 7 -7 227.57 18.48 8 7 -6 83.35 10.14 8 7 -5 133.42 12.40 8 7 -4 18.73 3.98 8 7 -3 174.34 12.53 8 7 -2 145.56 14.69 8 7 -2 157.70 10.70 8 7 -1 31.09 6.18 8 7 -1 35.32 4.32 8 7 0 2.14 1.97 8 7 0 1.12 0.65 8 7 1 593.05 28.79 8 7 1 526.80 13.55 8 7 2 571.39 28.53 8 7 2 591.28 19.19 8 7 2 553.59 18.90 8 7 3 10.20 2.19 8 7 3 9.88 3.03 8 7 3 10.32 3.25 8 7 4 90.29 7.12 8 7 4 93.86 10.53 8 7 4 85.46 9.30 8 7 5 224.10 12.54 8 7 5 211.97 16.26 8 7 6 155.25 11.05 8 7 6 136.30 13.25 8 7 6 165.65 13.72 8 7 7 30.44 5.00 8 7 7 26.38 5.52 8 7 7 30.38 6.55 8 7 8 903.31 38.55 8 7 8 960.12 36.11 8 7 9 87.86 10.65 8 7 9 93.01 10.21 8 7 10 471.50 27.71 8 7 10 506.23 26.91 8 7 11 130.62 14.46 8 7 11 121.19 13.04 8 7 12 328.46 23.23 8 7 13 176.05 19.11 8 7 13 236.15 20.30 8 7 14 -2.64 3.71 8 7 14 -1.57 2.47 8 7 15 335.50 27.06 8 7 16 4.13 2.84 8 8 -5 226.57 16.39 8 8 -4 1.23 0.55 8 8 -3 267.50 15.70 8 8 -2 506.08 21.08 8 8 -1 330.35 22.17 8 8 -1 409.87 16.56 8 8 0 352.63 22.17 8 8 1 31.67 6.23 8 8 2 698.00 32.06 8 8 3 42.07 2.67 8 8 3 49.98 7.56 8 8 4 581.63 27.86 8 8 4 587.47 28.75 8 8 4 602.98 19.05 8 8 5 5.28 2.88 8 8 5 3.92 1.95 8 8 5 3.57 1.33 8 8 6 407.34 24.03 8 8 6 426.81 23.96 8 8 6 423.70 18.55 8 8 7 24.34 5.28 8 8 7 22.08 5.05 8 8 7 24.05 4.29 8 8 8 153.11 11.85 8 8 8 141.79 13.87 8 8 9 211.12 15.30 8 8 9 210.71 17.54 8 8 10 108.32 11.35 8 8 10 112.37 12.93 8 8 11 4.12 2.52 8 8 11 7.08 3.03 8 8 12 342.30 23.43 8 8 12 323.34 24.87 8 8 13 247.83 20.60 8 8 13 176.29 21.24 8 8 14 -0.82 2.75 8 8 14 5.30 2.79 8 8 15 133.11 18.29 8 8 15 138.89 16.77 8 8 16 5.99 4.03 8 9 -1 8.96 3.64 8 9 0 550.42 28.39 8 9 1 6.93 2.64 8 9 2 387.64 22.67 8 9 3 50.74 7.56 8 9 4 1539.59 52.79 8 9 5 1005.23 39.62 8 9 5 971.57 40.51 8 9 6 731.85 23.87 8 9 6 716.48 32.61 -8 -9 -6 774.76 37.63 8 9 6 738.28 34.67 8 9 7 139.77 9.70 8 9 7 130.57 13.62 8 9 7 130.12 12.58 -8 -9 -7 125.56 14.08 8 9 8 24.65 5.88 8 9 8 22.86 4.25 8 9 8 25.99 5.81 -8 -9 -8 28.29 6.77 8 9 9 569.51 31.78 8 9 9 605.83 26.89 -8 -9 -9 595.47 33.17 -8 -9 -10 4.16 2.36 8 9 10 4.56 2.20 8 9 10 3.06 2.32 8 9 11 266.72 21.60 8 9 11 236.85 17.97 -8 -9 -11 290.96 22.18 -8 -9 -12 23.76 6.30 8 9 12 25.80 6.98 8 9 12 13.14 4.21 8 9 13 77.48 12.81 8 9 13 80.45 11.36 8 9 14 86.63 13.84 8 9 14 80.30 11.76 8 9 15 28.40 7.23 8 9 16 99.39 14.55 8 10 0 245.45 18.27 8 10 1 9.39 3.52 8 10 2 293.61 19.17 8 10 3 25.25 5.21 8 10 4 252.36 17.37 -8 -10 -4 265.22 21.12 8 10 5 770.96 33.49 8 10 5 796.63 36.76 -8 -10 -5 770.03 38.84 8 10 6 536.79 26.93 8 10 6 534.24 29.69 8 10 7 256.43 18.01 8 10 7 265.59 20.71 -8 -10 -7 284.51 22.31 8 10 8 534.47 27.51 8 10 8 493.18 29.92 -8 -10 -8 513.13 31.26 8 10 9 686.45 36.23 8 10 9 660.73 32.37 -8 -10 -9 710.93 37.50 8 10 10 106.62 13.64 -8 -10 -10 106.39 13.62 8 10 10 85.34 9.32 8 10 11 336.99 25.23 -8 -10 -11 344.49 25.33 8 10 11 300.08 19.97 8 10 12 156.70 17.42 -8 -10 -12 172.50 17.69 8 10 12 147.64 14.47 8 10 13 116.76 15.66 -8 -10 -13 111.44 14.14 8 10 13 88.13 11.83 8 10 14 154.74 18.86 -8 -10 -14 161.34 17.23 8 10 14 164.08 16.87 8 10 15 74.10 11.80 8 11 1 688.43 32.05 8 11 2 61.61 8.17 8 11 3 103.40 10.59 -8 -11 -3 104.49 13.35 8 11 4 2.58 1.56 -8 -11 -4 -1.21 2.08 8 11 5 128.39 11.96 8 11 5 143.70 14.95 -8 -11 -5 158.14 16.83 8 11 6 -1.04 1.75 8 11 6 -1.32 1.62 -8 -11 -6 -0.96 1.43 8 11 7 177.87 14.38 8 11 7 162.27 16.54 -8 -11 -7 186.68 18.39 8 11 8 24.38 5.22 8 11 8 24.78 6.50 -8 -11 -8 31.82 7.63 8 11 9 85.66 12.17 -8 -11 -9 82.37 12.61 8 11 10 96.50 13.21 -8 -11 -10 113.26 14.79 8 11 11 86.32 13.01 -8 -11 -11 83.58 12.54 8 11 12 76.29 12.46 -8 -11 -12 80.08 12.31 8 11 13 124.83 16.45 -8 -11 -13 151.59 17.19 -8 -11 -14 93.95 13.51 -8 -11 -15 -0.45 1.99 8 12 2 3.13 2.26 -8 -12 -2 -0.23 0.89 8 12 3 293.21 18.32 -8 -12 -3 335.35 25.13 8 12 4 0.85 0.75 -8 -12 -4 4.13 3.22 8 12 5 383.68 27.28 8 12 5 379.58 21.28 -8 -12 -5 457.02 30.30 8 12 5 433.99 24.71 8 12 6 213.64 19.92 8 12 6 223.98 15.67 -8 -12 -6 210.70 20.27 8 12 6 242.74 17.18 8 12 7 353.63 20.49 8 12 7 328.90 25.07 -8 -12 -7 353.29 26.78 8 12 8 332.72 25.53 -8 -12 -8 341.42 26.41 8 12 9 17.10 4.53 8 12 9 14.48 5.18 -8 -12 -9 20.09 6.23 8 12 10 198.61 20.28 -8 -12 -10 224.15 21.51 8 12 11 21.09 5.35 -8 -12 -11 45.31 9.56 8 12 11 55.33 10.84 -8 -12 -12 723.91 41.01 8 12 12 642.03 39.64 -8 -12 -13 6.88 3.67 -8 -12 -14 85.36 13.38 -8 -13 -2 73.70 11.82 -8 -13 -3 347.20 26.66 -8 -13 -4 50.88 9.96 -8 -13 -5 123.75 15.85 8 13 5 112.62 12.90 8 13 6 375.15 23.24 -8 -13 -6 359.61 27.64 8 13 6 318.04 25.36 -8 -13 -7 250.14 22.95 8 13 7 204.57 20.35 -8 -13 -8 289.40 25.12 8 13 8 255.17 23.31 -8 -13 -9 6.60 4.28 8 13 9 6.65 3.49 -8 -13 -10 362.48 28.72 8 13 10 354.07 28.44 -8 -13 -11 7.05 4.16 8 13 11 7.84 4.42 -8 -13 -12 549.22 36.66 -8 -14 -2 51.38 10.46 -8 -14 -3 109.02 14.86 -8 -14 -4 291.81 25.19 8 14 4 259.99 21.57 -8 -14 -5 75.77 12.56 8 14 5 69.36 10.71 -8 -14 -6 145.50 17.81 8 14 6 120.35 15.97 -8 -14 -7 37.78 9.10 8 14 7 36.70 8.81 -8 -14 -8 577.07 37.36 8 14 8 538.98 36.20 -8 -14 -9 2.31 2.34 8 14 9 0.65 2.54 -8 -14 -10 227.92 23.27 8 14 10 222.02 23.02 -8 -15 -1 17.62 6.36 -8 -15 -2 281.24 25.27 -8 -15 -3 72.76 12.49 -8 -15 -4 125.04 17.01 8 15 4 128.20 15.92 -8 -15 -5 3.55 2.85 8 15 6 161.72 19.25 9 -7 1 38.88 8.90 9 -6 -3 150.89 17.22 9 -6 -3 235.19 22.73 9 -6 -2 38.36 8.15 9 -6 -2 50.06 10.36 9 -6 -1 172.69 17.36 9 -6 -1 203.52 20.30 9 -6 0 149.61 16.06 9 -6 0 151.07 17.27 9 -6 1 -0.60 2.72 9 -6 1 2.29 2.62 9 -6 2 301.30 23.27 9 -6 2 329.37 25.99 9 -6 3 29.32 6.80 9 -6 3 39.48 8.77 9 -6 4 553.44 32.87 9 -6 4 566.76 35.64 9 -6 5 66.63 11.55 9 -6 5 98.47 13.83 9 -6 6 127.06 15.38 9 -6 6 146.15 17.28 9 -6 7 198.93 19.62 9 -6 8 121.50 15.60 9 -5 -5 -0.40 1.12 9 -5 -4 157.75 17.77 9 -5 -4 201.93 20.14 9 -5 -3 2.33 1.39 9 -5 -3 0.39 2.27 9 -5 -2 266.87 22.26 9 -5 -2 260.82 22.86 9 -5 -1 0.49 0.99 9 -5 -1 2.83 2.79 9 -5 0 175.80 18.10 9 -5 0 185.17 17.92 9 -5 1 30.97 7.53 9 -5 1 25.92 6.34 9 -5 2 54.61 9.71 9 -5 2 43.10 8.33 9 -5 3 -0.21 1.94 9 -5 3 -0.97 1.94 9 -5 4 264.10 22.60 9 -5 4 291.84 22.88 9 -5 5 88.60 12.56 9 -5 5 88.99 12.56 9 -5 6 0.89 1.82 9 -5 6 2.65 2.12 9 -5 7 35.29 8.42 9 -5 7 27.88 6.91 9 -5 8 63.35 11.32 9 -5 8 36.47 8.20 9 -5 9 439.24 31.46 9 -4 -6 255.10 23.03 9 -4 -5 35.42 8.03 9 -4 -4 804.51 43.07 9 -4 -4 895.60 44.25 9 -4 -3 198.55 19.35 9 -4 -3 218.86 20.03 9 -4 -2 260.36 21.78 9 -4 -2 314.04 23.86 9 -4 -1 -1.81 1.60 9 -4 -1 -3.14 2.93 9 -4 0 767.21 38.81 9 -4 0 721.17 37.84 9 -4 1 140.60 15.29 9 -4 1 156.80 15.96 9 -4 2 138.23 14.99 9 -4 2 108.89 13.40 9 -4 3 231.47 19.85 9 -4 3 229.87 20.00 9 -4 4 11.19 4.19 9 -4 4 15.66 5.13 9 -4 5 135.23 15.03 9 -4 5 140.11 15.56 9 -4 6 2.62 2.65 9 -4 6 2.05 2.06 9 -4 7 109.75 13.81 9 -4 7 107.68 13.97 9 -4 8 73.65 11.62 9 -4 8 56.53 10.52 9 -4 9 97.49 13.65 9 -3 -7 13.59 5.21 9 -3 -6 85.30 12.40 9 -3 -5 -2.52 3.07 9 -3 -4 451.58 29.05 9 -3 -4 430.29 30.26 9 -3 -3 38.19 7.89 9 -3 -3 54.86 9.99 9 -3 -2 323.93 23.27 9 -3 -2 282.50 22.83 9 -3 -1 140.99 14.98 9 -3 -1 144.56 15.79 9 -3 0 562.97 31.01 9 -3 0 513.55 30.81 9 -3 1 705.82 35.25 9 -3 1 678.57 35.88 9 -3 2 10.52 3.67 9 -3 2 11.88 4.66 9 -3 3 522.80 29.39 9 -3 3 517.70 30.72 9 -3 4 0.96 1.74 9 -3 4 0.20 1.63 9 -3 5 209.29 18.03 9 -3 5 217.55 19.44 9 -3 6 1.05 1.37 9 -3 6 5.07 3.12 9 -3 7 440.57 27.87 9 -3 7 466.46 30.24 9 -3 8 679.22 36.35 9 -3 9 -0.17 1.09 9 -3 9 -0.24 1.39 9 -2 -8 347.34 27.32 9 -2 -7 241.87 21.68 9 -2 -6 -3.57 3.10 9 -2 -5 65.30 10.23 9 -2 -4 20.82 6.27 9 -2 -4 30.26 6.71 9 -2 -3 128.82 15.18 9 -2 -3 100.46 12.35 9 -2 -2 93.52 12.44 9 -2 -2 82.55 11.05 9 -2 -1 575.06 32.78 9 -2 -1 541.96 29.66 9 -2 0 5.93 3.49 9 -2 0 1.42 1.67 9 -2 1 37.16 7.76 9 -2 1 35.28 6.57 9 -2 2 21.87 5.59 9 -2 2 15.04 4.31 9 -2 3 624.96 31.03 9 -2 3 608.41 33.53 9 -2 4 27.42 5.97 9 -2 4 34.16 7.45 9 -2 5 308.36 21.28 9 -2 5 312.27 23.26 9 -2 6 48.43 8.00 9 -2 6 50.30 9.31 9 -2 7 289.24 20.99 9 -2 8 267.51 20.43 9 -2 9 25.61 6.05 9 -2 9 17.84 5.99 9 -2 10 442.66 32.77 9 -1 -8 140.00 16.62 9 -1 -7 97.31 13.24 9 -1 -6 86.30 12.05 9 -1 -5 230.32 19.58 9 -1 -4 4.99 2.61 9 -1 -4 -0.63 1.26 9 -1 -3 361.41 25.89 9 -1 -3 299.08 21.32 9 -1 -2 22.08 6.00 9 -1 -2 16.77 4.70 9 -1 -1 730.64 37.24 9 -1 -1 672.30 32.26 9 -1 0 395.45 25.95 9 -1 0 376.82 22.83 9 -1 1 47.18 8.46 9 -1 1 39.45 6.70 9 -1 2 47.40 7.48 9 -1 2 42.33 8.13 9 -1 3 107.26 11.12 9 -1 3 114.98 13.36 9 -1 4 537.25 27.19 9 -1 4 500.91 29.85 9 -1 5 20.14 4.55 9 -1 5 30.21 6.56 9 -1 6 42.74 7.01 9 -1 6 55.29 9.37 9 -1 7 6.46 2.92 9 -1 7 3.72 1.98 9 -1 8 51.22 8.19 9 -1 9 2.68 2.18 9 -1 10 521.33 34.71 9 -1 11 113.84 16.28 9 0 -9 29.90 7.83 9 0 -8 4.42 3.25 9 0 -7 -3.19 2.60 9 0 -6 232.66 19.87 9 0 -5 486.20 28.57 9 0 -4 -1.13 2.11 9 0 -4 3.24 2.37 9 0 -3 221.89 20.12 9 0 -3 253.97 18.43 9 0 -2 7.43 2.47 9 0 -2 6.05 2.79 9 0 -1 824.81 40.51 9 0 -1 886.14 36.60 9 0 0 186.80 14.65 9 0 0 219.84 18.77 9 0 1 601.35 27.84 9 0 1 541.77 30.96 9 0 2 514.64 25.28 9 0 2 539.67 30.36 9 0 3 16.95 4.13 9 0 3 29.75 6.90 9 0 4 518.90 25.16 9 0 4 524.70 30.20 9 0 5 0.96 1.09 9 0 5 -3.33 2.30 9 0 6 652.11 29.39 9 0 6 709.41 36.24 9 0 7 74.18 8.95 9 0 8 287.18 18.83 9 0 9 183.90 18.69 9 0 10 105.20 14.52 9 0 11 344.71 27.83 9 0 12 7.78 3.13 9 1 -9 104.59 14.34 9 1 -8 16.88 5.52 9 1 -7 143.47 15.58 9 1 -6 12.07 4.25 9 1 -5 175.77 16.20 9 1 -4 74.98 11.85 9 1 -4 98.17 11.40 9 1 -3 42.26 8.50 9 1 -3 44.87 7.49 9 1 -2 6.60 3.10 9 1 -2 5.06 2.53 9 1 -1 94.69 12.34 9 1 -1 95.31 10.06 9 1 0 96.61 9.80 9 1 0 96.23 12.01 9 1 1 70.64 8.29 9 1 1 71.80 10.31 9 1 2 210.50 14.08 9 1 2 196.82 17.58 9 1 3 33.64 5.26 9 1 3 33.64 7.36 9 1 4 303.43 17.08 9 1 4 280.26 21.29 9 1 5 151.86 11.74 9 1 5 167.35 16.01 9 1 6 1178.35 40.42 9 1 6 1195.26 49.62 9 1 7 362.65 19.63 9 1 8 126.65 14.49 9 1 9 204.46 19.02 9 1 10 78.76 11.99 9 1 11 504.41 33.73 9 1 12 62.99 12.20 9 1 13 466.06 34.45 9 2 -9 520.17 33.00 9 2 -8 48.00 8.99 9 2 -7 166.64 16.62 9 2 -6 55.77 9.04 9 2 -5 109.75 12.26 9 2 -4 267.59 22.86 9 2 -4 275.92 19.07 9 2 -3 253.27 21.52 9 2 -3 322.57 19.75 9 2 -2 947.80 44.09 9 2 -2 995.33 37.72 9 2 -1 73.79 10.72 9 2 -1 72.43 8.22 9 2 0 359.52 24.58 9 2 0 425.93 20.63 9 2 1 24.00 5.69 9 2 1 19.34 3.86 9 2 2 64.98 7.18 9 2 2 64.94 9.62 9 2 3 134.30 10.07 9 2 3 139.27 14.47 9 2 4 65.22 6.87 9 2 4 55.03 8.93 9 2 5 129.18 9.61 9 2 5 134.23 14.09 9 2 6 140.14 14.59 9 2 6 113.82 9.19 9 2 7 413.42 19.45 9 2 8 46.70 8.33 9 2 9 210.31 18.72 9 2 10 58.25 10.21 9 2 11 684.02 39.40 9 2 12 4.01 3.54 9 2 13 343.03 28.54 9 3 -9 89.58 12.57 9 3 -8 13.05 4.58 9 3 -7 170.54 16.43 9 3 -6 36.60 7.12 9 3 -5 234.66 17.89 9 3 -4 411.07 23.30 9 3 -4 382.11 27.81 9 3 -3 81.62 9.29 9 3 -3 71.30 10.98 9 3 -2 860.31 33.56 9 3 -2 919.31 42.48 9 3 -1 60.63 7.06 9 3 -1 54.73 9.13 9 3 0 159.73 11.33 9 3 0 197.48 17.34 9 3 1 9.43 2.49 9 3 1 12.19 3.68 9 3 2 893.81 28.52 9 3 2 901.42 39.65 9 3 3 616.02 21.99 9 3 3 573.59 20.71 9 3 3 574.11 31.05 9 3 4 25.08 5.99 9 3 4 23.56 3.50 9 3 5 583.69 31.31 9 3 5 554.60 20.62 9 3 6 28.53 6.56 9 3 7 776.75 35.43 9 3 8 14.47 4.16 9 3 9 458.28 27.88 9 3 10 246.54 20.75 9 3 11 75.47 11.96 9 3 12 31.99 7.83 9 3 13 114.07 15.49 9 3 14 40.79 9.65 9 4 -9 -3.44 3.24 9 4 -8 44.13 8.45 9 4 -7 55.31 9.17 9 4 -6 180.13 15.96 9 4 -5 5.40 2.36 9 4 -4 15.92 5.62 9 4 -4 22.51 4.93 9 4 -3 -0.30 0.75 9 4 -3 -1.23 1.10 9 4 -2 322.34 23.51 9 4 -2 329.18 18.15 9 4 -1 10.61 3.78 9 4 -1 12.91 3.04 9 4 0 206.82 9.98 9 4 0 230.32 12.85 9 4 0 227.49 18.70 9 4 1 244.58 12.43 9 4 1 238.86 19.05 9 4 1 226.32 11.01 9 4 2 263.07 11.93 9 4 2 285.25 20.70 9 4 2 227.92 11.65 9 4 3 679.54 20.84 9 4 3 657.46 33.47 9 4 3 608.64 22.90 9 4 4 84.34 5.25 9 4 4 84.25 7.64 9 4 4 85.93 10.92 9 4 5 447.05 20.53 9 4 5 455.11 27.08 9 4 6 21.18 5.62 9 4 6 19.75 4.62 9 4 6 17.12 4.18 9 4 7 744.44 33.51 9 4 8 69.49 9.47 9 4 8 50.76 8.83 9 4 9 851.18 39.29 9 4 10 335.95 24.24 9 4 11 10.49 3.96 9 4 12 292.05 23.90 9 4 13 66.62 11.39 9 4 14 604.73 38.57 9 5 -7 4.17 2.63 9 5 -6 514.43 28.03 9 5 -5 272.41 18.54 9 5 -4 2.05 1.67 9 5 -3 116.16 14.40 9 5 -3 125.20 10.96 9 5 -2 39.04 7.83 9 5 -2 57.16 6.72 9 5 -1 436.29 27.26 9 5 -1 433.27 19.16 9 5 0 0.24 0.47 9 5 0 1.10 0.81 9 5 0 0.07 0.95 9 5 1 412.83 15.38 9 5 1 354.52 17.30 9 5 1 420.96 25.65 9 5 2 45.21 3.54 9 5 2 53.92 5.91 9 5 2 43.85 7.85 9 5 3 376.16 17.87 9 5 3 381.58 24.32 9 5 4 90.69 8.53 9 5 4 106.26 12.33 9 5 5 1309.90 43.29 9 5 5 1378.10 52.26 9 5 6 10.51 2.73 9 5 6 17.50 4.39 9 5 6 10.66 3.94 9 5 7 28.10 5.48 9 5 7 30.13 6.72 9 5 7 28.84 5.62 9 5 8 5.81 2.47 9 5 8 4.20 2.11 9 5 9 161.04 15.13 9 5 10 34.11 8.60 9 5 10 52.84 8.75 9 5 11 50.64 8.85 9 5 12 312.94 24.21 9 5 13 9.82 4.47 9 5 14 494.04 33.94 9 5 15 45.63 10.07 9 6 -3 703.79 38.97 9 6 -3 827.43 31.69 9 6 -2 17.38 5.22 9 6 -2 9.33 2.45 9 6 -1 781.80 38.00 9 6 0 22.14 5.77 9 6 1 1293.38 49.81 9 6 1 1150.39 38.97 9 6 2 106.96 12.20 9 6 2 103.38 9.21 9 6 3 374.43 23.84 9 6 3 362.87 19.39 9 6 4 380.88 24.37 9 6 4 373.16 19.87 9 6 4 399.74 19.21 9 6 5 652.98 33.02 9 6 5 630.29 27.93 9 6 5 683.74 27.70 9 6 6 846.92 38.52 9 6 6 788.95 33.18 9 6 6 836.37 33.04 9 6 7 13.80 3.99 9 6 7 13.86 4.01 9 6 7 16.86 4.39 9 6 8 87.42 10.10 9 6 9 4.48 2.04 9 6 9 3.60 1.11 9 6 10 149.99 15.75 9 6 10 209.20 17.25 9 6 11 7.10 5.14 9 6 11 17.14 5.31 9 6 12 39.23 14.11 9 6 12 115.44 13.79 9 6 13 179.23 18.55 9 6 14 20.61 6.62 9 6 15 66.70 12.16 9 7 -2 108.78 13.41 9 7 -1 135.99 14.51 9 7 0 17.23 4.91 9 7 1 994.01 43.06 9 7 2 341.48 22.68 9 7 2 337.65 19.20 9 7 3 395.06 24.68 9 7 3 415.93 21.77 9 7 3 422.93 17.76 9 7 4 505.25 28.23 9 7 4 458.76 24.38 9 7 4 504.12 20.70 9 7 5 145.16 14.45 9 7 5 126.85 12.14 9 7 5 132.42 10.36 9 7 6 538.58 29.58 9 7 6 553.50 27.29 9 7 6 555.45 24.51 9 7 7 35.54 7.07 9 7 7 32.61 6.22 9 7 7 44.91 6.48 9 7 8 1004.63 44.53 9 7 8 950.28 40.49 9 7 8 1079.23 39.83 9 7 9 206.93 17.24 9 7 9 217.85 16.40 9 7 10 198.08 17.79 9 7 10 222.98 17.64 9 7 11 250.84 20.85 9 7 11 255.80 20.10 9 7 12 133.62 16.05 9 7 12 140.15 15.41 9 7 13 306.30 26.54 9 7 13 321.78 24.70 9 7 14 3.45 2.55 9 7 15 241.75 23.24 9 8 -2 270.83 21.74 9 8 -1 54.49 9.12 9 8 0 59.14 9.28 9 8 1 19.81 5.31 9 8 2 211.65 17.45 9 8 3 9.55 3.69 9 8 3 5.00 2.25 9 8 4 197.28 16.74 9 8 4 217.15 16.16 9 8 5 9.02 3.69 9 8 5 8.25 3.25 9 8 5 7.58 2.25 9 8 6 175.86 15.20 9 8 6 181.81 16.30 9 8 6 178.23 11.50 9 8 7 25.53 6.07 9 8 7 28.04 6.01 9 8 7 26.15 4.56 9 8 8 426.23 25.51 9 8 8 418.27 21.70 9 8 8 413.67 25.94 9 8 9 335.93 20.24 9 8 9 341.44 23.14 9 8 10 60.28 8.51 9 8 10 71.52 10.51 9 8 11 55.32 8.53 9 8 11 40.76 8.41 9 8 12 155.47 15.57 9 8 12 137.59 16.31 9 8 13 510.08 31.16 9 8 13 494.65 33.56 9 8 14 0.86 1.31 9 8 14 -0.57 0.98 9 8 15 311.51 25.79 9 9 -1 95.13 12.21 9 9 0 980.61 43.14 9 9 1 59.20 9.13 9 9 2 121.06 12.97 9 9 3 69.78 9.31 9 9 3 79.78 10.35 9 9 4 405.11 24.15 9 9 4 436.72 25.38 9 9 5 440.42 25.60 9 9 5 425.83 25.49 9 9 6 83.71 10.89 9 9 6 88.57 11.20 9 9 7 8.54 3.72 9 9 7 5.50 2.97 9 9 8 -0.62 1.60 9 9 8 -1.81 1.60 9 9 9 94.57 12.19 9 9 9 111.47 13.13 9 9 10 23.49 6.07 9 9 10 28.42 5.82 9 9 11 204.56 16.69 9 9 11 202.91 19.36 9 9 12 4.29 3.34 9 9 12 0.74 1.37 9 9 13 228.55 19.74 9 9 13 224.34 22.07 9 9 14 10.44 4.12 9 9 14 6.06 3.69 9 10 0 499.53 29.35 9 10 1 5.38 2.72 9 10 2 640.36 32.26 9 10 3 4.70 2.47 9 10 4 354.12 23.50 9 10 4 369.97 23.12 9 10 5 887.76 40.42 9 10 5 920.07 39.73 9 10 6 41.86 7.84 9 10 6 44.76 7.73 9 10 7 443.14 28.25 9 10 7 489.99 27.52 9 10 8 0.01 1.44 9 10 8 5.81 2.94 9 10 9 353.52 25.33 9 10 10 11.70 4.43 9 10 10 15.02 5.05 9 10 11 449.64 30.25 9 10 12 172.94 18.65 9 10 13 23.93 7.28 9 11 1 68.33 9.78 9 11 2 178.73 15.63 9 11 3 79.81 10.18 9 11 4 14.88 5.22 9 11 4 21.32 5.17 9 11 5 55.08 9.27 9 11 5 51.23 7.99 9 11 6 49.50 9.04 9 11 6 59.39 8.62 9 11 7 404.95 28.18 9 11 7 458.68 26.24 9 11 8 8.63 4.11 9 11 8 9.71 3.33 -9 -11 -8 7.11 3.17 9 11 9 286.78 23.59 9 11 9 313.75 21.93 -9 -11 -9 335.19 25.99 9 11 10 72.49 11.70 9 11 10 57.99 9.25 -9 -11 -10 59.71 10.81 9 11 11 300.93 25.05 -9 -11 -11 311.70 25.43 9 11 12 289.79 25.22 -9 -11 -12 302.13 25.38 9 11 13 183.30 20.28 9 12 2 13.22 3.85 9 12 3 242.26 17.91 9 12 4 6.15 2.56 9 12 5 63.01 10.36 9 12 5 72.05 9.45 9 12 6 20.93 6.10 9 12 6 24.25 5.29 -9 -12 -6 26.39 6.72 9 12 7 272.04 23.12 9 12 7 231.58 17.78 9 12 8 170.94 18.86 9 12 8 193.17 16.23 -9 -12 -8 198.13 20.64 9 12 9 2.12 1.90 9 12 9 2.90 1.72 -9 -12 -9 0.36 1.52 9 12 10 47.31 9.68 9 12 10 41.15 7.56 -9 -12 -10 47.70 9.77 9 12 11 23.28 6.78 9 12 11 9.11 3.61 -9 -12 -11 19.11 6.09 9 12 12 167.60 19.28 -9 -12 -12 163.56 19.00 9 13 5 186.63 19.25 -9 -13 -5 221.89 21.60 9 13 6 308.04 25.16 -9 -13 -6 329.92 27.92 9 13 7 153.73 17.82 -9 -13 -7 188.60 20.05 9 13 8 310.90 26.64 -9 -13 -8 302.25 26.12 9 13 9 -0.70 1.79 -9 -13 -9 -5.83 4.56 9 13 10 242.39 23.51 -9 -13 -10 253.95 24.16 -9 -14 -4 112.15 15.78 9 14 5 3.62 2.41 -9 -14 -5 10.37 5.36 9 14 6 152.68 18.58 -9 -14 -6 182.06 20.25 9 14 7 82.94 13.32 9 14 8 487.73 34.58 10 -6 0 422.87 29.66 10 -6 1 24.88 6.90 10 -6 2 248.65 22.17 10 -6 3 4.03 2.55 10 -5 -3 1.39 3.11 10 -5 -2 118.13 15.51 10 -5 -2 139.34 17.09 10 -5 -1 29.91 7.90 10 -5 -1 36.56 8.31 10 -5 0 115.67 15.04 10 -5 0 133.36 16.21 10 -5 1 8.73 3.74 10 -5 1 14.00 5.20 10 -5 2 73.84 11.82 10 -5 2 69.63 11.58 10 -5 3 16.96 5.53 10 -5 3 10.46 4.52 10 -5 4 545.66 34.29 10 -5 4 545.40 34.63 10 -5 5 186.66 19.31 10 -5 5 183.40 18.99 10 -5 6 50.52 10.21 10 -5 6 85.57 13.17 10 -4 -4 219.57 21.55 10 -4 -3 65.27 11.74 10 -4 -3 54.90 10.35 10 -4 -2 61.03 10.86 10 -4 -2 75.72 12.00 10 -4 -1 29.31 7.57 10 -4 -1 26.62 6.90 10 -4 0 128.50 15.91 10 -4 0 129.52 15.49 10 -4 1 10.05 4.50 10 -4 1 6.82 3.46 10 -4 2 62.07 10.67 10 -4 2 71.17 11.13 10 -4 3 121.50 15.09 10 -4 3 127.01 15.06 10 -4 4 15.57 5.59 10 -4 4 18.18 5.71 10 -4 5 54.08 10.14 10 -4 5 49.18 9.34 10 -4 6 51.67 9.97 10 -4 6 39.91 8.26 10 -4 7 85.05 13.11 10 -4 7 109.05 14.18 10 -4 8 2.51 1.17 10 -3 -5 2.50 2.37 10 -3 -4 356.67 28.87 10 -3 -4 400.03 28.62 10 -3 -3 54.73 10.59 10 -3 -3 48.89 9.39 10 -3 -2 104.78 14.51 10 -3 -2 96.29 13.08 10 -3 -1 47.63 9.40 10 -3 -1 43.53 8.44 10 -3 0 144.70 15.58 10 -3 0 151.08 16.99 10 -3 1 100.57 12.81 10 -3 1 96.21 13.50 10 -3 2 10.30 3.84 10 -3 2 4.78 1.95 10 -3 3 389.00 25.84 10 -3 3 343.90 26.20 10 -3 4 185.42 17.65 10 -3 4 166.59 17.83 10 -3 5 34.24 7.29 10 -3 5 37.33 8.34 10 -3 6 20.15 5.47 10 -3 6 21.65 6.10 10 -3 7 205.02 19.00 10 -3 7 174.14 18.87 10 -3 8 219.31 20.08 10 -2 -6 293.69 24.51 10 -2 -5 33.34 7.66 10 -2 -4 97.24 14.46 10 -2 -4 88.27 12.72 10 -2 -3 5.78 3.49 10 -2 -3 9.33 4.54 10 -2 -2 447.85 28.24 10 -2 -2 403.64 29.48 10 -2 -1 303.24 22.63 10 -2 -1 263.18 22.92 10 -2 0 112.53 13.14 10 -2 0 84.03 12.55 10 -2 1 72.17 10.35 10 -2 1 66.22 10.99 10 -2 2 44.90 7.96 10 -2 2 37.11 7.91 10 -2 3 582.27 30.97 10 -2 3 565.92 34.34 10 -2 4 94.97 11.81 10 -2 4 100.26 13.67 10 -2 5 443.15 26.68 10 -2 5 467.56 30.84 10 -2 6 384.32 24.77 10 -2 6 403.36 28.76 10 -2 7 343.02 23.88 10 -2 7 394.16 28.65 10 -2 8 587.05 36.53 10 -2 8 573.97 32.42 10 -2 9 39.38 9.71 10 -1 -7 130.84 15.89 10 -1 -6 95.47 13.11 10 -1 -5 124.24 14.52 10 -1 -4 1.54 1.10 10 -1 -4 5.71 2.58 10 -1 -3 26.57 7.53 10 -1 -3 20.61 5.76 10 -1 -2 27.82 7.32 10 -1 -2 28.30 6.43 10 -1 -1 309.64 24.91 10 -1 -1 306.28 21.63 10 -1 0 36.67 8.18 10 -1 0 35.38 6.99 10 -1 1 -0.87 1.72 10 -1 1 -0.49 1.54 10 -1 2 9.61 3.84 10 -1 2 5.07 2.57 10 -1 3 129.66 15.38 10 -1 3 121.09 12.56 10 -1 4 238.41 21.08 10 -1 4 227.86 17.48 10 -1 5 184.82 18.63 10 -1 5 167.31 14.74 10 -1 6 276.61 23.07 10 -1 6 249.31 18.66 10 -1 7 25.51 7.06 10 -1 7 18.91 5.02 10 -1 8 105.96 14.48 10 -1 8 120.56 13.20 10 -1 9 183.92 20.24 10 -1 10 738.40 44.04 10 0 -7 85.23 12.65 10 0 -6 250.00 21.49 10 0 -5 592.42 32.73 10 0 -4 11.46 5.11 10 0 -4 6.05 2.98 10 0 -3 212.02 21.24 10 0 -3 208.90 17.67 10 0 -2 181.19 19.03 10 0 -2 188.09 16.30 10 0 -1 187.49 18.99 10 0 -1 180.67 15.45 10 0 0 286.65 23.34 10 0 0 280.51 19.56 10 0 1 336.94 25.31 10 0 1 343.78 21.41 10 0 2 449.83 29.65 10 0 2 483.82 25.40 10 0 3 -0.84 0.79 10 0 3 4.35 2.41 10 0 4 344.64 25.60 10 0 4 331.25 20.38 10 0 5 1.43 0.82 10 0 5 3.18 1.93 10 0 6 343.93 25.84 10 0 6 325.68 20.16 10 0 7 93.28 13.38 10 0 7 75.36 9.36 10 0 8 81.72 13.33 10 0 9 60.12 10.98 10 0 10 301.01 26.50 10 0 11 253.74 24.86 10 1 -7 17.70 5.42 10 1 -6 3.06 2.30 10 1 -5 124.26 13.89 10 1 -4 13.22 5.48 10 1 -4 4.24 2.00 10 1 -3 193.62 20.14 10 1 -3 202.33 16.70 10 1 -2 16.44 5.63 10 1 -2 4.36 2.12 10 1 -1 332.42 20.75 10 1 -1 319.82 25.12 10 1 0 192.30 14.91 10 1 0 199.90 19.30 10 1 1 573.25 27.42 10 1 1 611.27 34.81 10 1 2 908.46 35.57 10 1 2 943.06 44.79 10 1 3 92.78 9.48 10 1 3 99.61 13.05 10 1 4 128.99 11.60 10 1 4 163.67 17.11 10 1 5 0.71 0.45 10 1 5 1.36 1.63 10 1 6 582.63 34.15 10 1 7 131.34 15.58 10 1 8 138.72 15.89 10 1 9 202.53 20.11 10 1 10 3.74 2.01 10 1 11 271.45 25.23 10 2 -6 351.80 24.71 10 2 -5 -2.22 2.07 10 2 -4 61.04 11.55 10 2 -4 43.00 7.45 10 2 -3 57.96 10.75 10 2 -3 73.79 9.33 10 2 -2 230.40 21.34 10 2 -2 254.90 17.45 10 2 -1 5.64 3.29 10 2 -1 3.40 1.77 10 2 0 201.89 19.29 10 2 0 167.26 13.22 10 2 1 50.33 9.29 10 2 1 53.84 7.00 10 2 2 264.50 21.64 10 2 2 239.61 14.94 10 2 3 3.04 2.53 10 2 3 1.36 1.11 10 2 4 345.26 25.27 10 2 5 56.42 10.09 10 2 6 388.86 27.04 10 2 7 285.12 23.19 10 2 8 120.50 14.37 10 2 8 93.74 13.99 10 2 9 210.15 19.85 10 2 10 7.54 3.84 10 2 11 360.43 28.36 10 2 12 1.87 1.70 10 3 -4 163.50 18.84 10 3 -3 41.51 8.92 10 3 -3 43.10 7.01 10 3 -2 506.98 32.64 10 3 -2 543.93 25.88 10 3 -1 154.06 16.80 10 3 -1 173.81 12.95 10 3 0 170.74 17.55 10 3 1 100.69 12.98 10 3 2 269.54 21.79 10 3 3 118.56 14.21 10 3 4 62.06 10.06 10 3 5 415.48 27.67 10 3 6 0.71 0.68 10 3 7 10.18 3.42 10 3 7 13.64 4.83 10 3 8 160.71 16.09 10 3 9 193.85 18.49 10 3 10 0.89 1.63 10 3 11 213.85 21.21 10 3 12 8.26 3.64 10 3 13 170.22 20.02 10 4 -3 1.54 2.10 10 4 -2 199.52 19.65 10 4 -1 75.92 11.69 10 4 0 337.71 25.18 10 4 1 588.52 33.68 10 4 2 237.85 20.57 10 4 3 525.74 31.44 10 4 4 -0.18 1.91 10 4 5 597.38 33.84 10 4 6 72.91 10.93 10 4 7 297.39 20.91 10 4 8 114.45 13.01 10 4 9 345.10 24.35 10 4 10 471.62 30.46 10 4 11 1.67 1.62 10 4 12 90.29 13.48 10 4 13 29.67 8.02 10 5 -3 52.01 10.26 10 5 -2 120.88 15.41 10 5 -1 20.27 5.95 10 5 0 266.58 22.00 10 5 1 394.54 26.96 10 5 2 5.95 3.12 10 5 3 39.29 7.75 10 5 4 77.15 11.41 10 5 4 63.67 6.90 10 5 5 614.71 33.80 10 5 5 557.15 24.65 10 5 6 18.26 4.32 10 5 6 20.80 4.84 10 5 6 19.58 5.31 10 5 7 688.01 31.24 10 5 7 738.56 38.36 10 5 7 727.73 33.83 10 5 8 181.17 16.10 10 5 8 198.95 18.99 10 5 9 286.05 21.56 10 5 10 307.20 23.26 10 5 11 32.92 7.71 10 5 12 465.01 31.06 10 5 13 -0.75 2.39 10 5 14 271.83 25.06 10 6 -3 277.31 24.57 10 6 -2 13.34 4.87 10 6 -1 268.36 22.39 10 6 0 12.55 4.05 10 6 1 475.72 29.74 10 6 2 51.92 9.06 10 6 3 10.66 2.81 10 6 3 13.61 4.72 10 6 4 5.19 2.18 10 6 4 5.06 2.55 10 6 5 54.43 7.05 10 6 5 52.72 7.22 10 6 5 58.71 9.70 10 6 6 97.68 10.23 10 6 6 108.52 10.90 10 6 6 123.67 14.43 10 6 7 8.47 3.30 10 6 7 6.17 2.45 10 6 7 11.82 4.24 10 6 8 34.20 6.64 10 6 8 34.04 6.61 10 6 8 50.24 9.27 10 6 9 27.82 6.46 10 6 9 40.68 7.55 10 6 9 35.12 7.98 10 6 10 96.19 12.11 10 6 10 93.71 12.48 10 6 11 17.06 5.42 10 6 11 14.07 4.98 10 6 12 507.79 32.02 10 6 13 62.28 11.16 10 6 14 85.08 13.59 10 7 -2 26.94 7.32 10 7 -1 253.09 21.93 10 7 0 4.40 2.93 10 7 1 594.60 33.80 10 7 2 163.95 12.84 10 7 2 195.82 18.08 10 7 3 712.80 30.20 10 7 3 645.42 35.01 10 7 4 286.93 17.84 10 7 4 281.09 21.75 10 7 5 -0.23 0.59 10 7 5 1.10 1.03 10 7 6 308.94 19.63 10 7 6 290.22 17.82 10 7 6 321.40 23.42 10 7 7 3.32 2.67 10 7 7 2.24 1.32 10 7 7 1.27 0.73 10 7 8 458.76 24.58 10 7 8 388.34 24.15 10 7 9 158.15 14.49 10 7 9 158.26 16.93 10 7 9 155.74 15.19 10 7 10 95.14 11.74 10 7 11 167.77 17.53 10 7 11 186.84 17.42 10 7 12 154.01 17.73 10 7 12 194.57 18.58 10 7 13 131.15 15.77 10 7 14 85.61 13.16 10 7 15 22.35 6.79 10 8 -2 6.83 3.44 10 8 -1 188.44 18.67 10 8 0 6.75 3.19 10 8 1 198.07 14.80 10 8 1 175.23 17.49 10 8 2 220.90 16.14 10 8 2 216.08 19.17 10 8 3 315.50 19.90 10 8 3 301.99 22.53 10 8 4 284.64 19.29 10 8 4 284.95 21.76 10 8 5 0.11 1.02 10 8 5 -0.28 1.00 10 8 6 105.07 11.59 10 8 6 89.35 12.05 10 8 7 -0.33 1.53 10 8 7 -1.33 1.50 10 8 8 639.26 32.92 10 8 8 700.56 36.84 10 8 9 524.17 30.16 10 8 9 585.17 33.81 10 8 10 94.03 12.46 10 8 11 306.51 22.01 10 8 11 296.58 23.57 10 8 12 36.59 10.56 10 8 12 56.01 9.32 10 8 13 285.38 26.42 10 8 14 51.32 10.91 10 9 -1 120.54 15.00 10 9 0 301.02 23.61 10 9 1 30.12 7.04 10 9 2 -1.69 1.85 10 9 2 2.87 2.27 10 9 3 13.83 4.33 10 9 3 4.02 2.06 10 9 4 139.81 15.01 10 9 4 156.05 14.57 10 9 5 34.06 7.30 10 9 5 39.00 7.21 10 9 6 260.75 20.85 10 9 6 214.50 17.93 10 9 7 214.10 18.01 10 9 8 164.66 16.70 10 9 8 154.77 15.53 10 9 9 289.91 22.84 10 9 9 269.01 21.45 10 9 10 90.89 12.61 10 9 10 79.36 11.66 10 9 11 162.75 17.73 10 9 12 0.26 1.61 10 9 13 317.42 27.28 10 10 0 340.01 25.32 10 10 1 165.70 16.68 10 10 2 175.08 16.84 10 10 3 48.46 8.45 10 10 3 45.13 8.09 10 10 4 139.08 14.91 10 10 4 142.58 14.60 10 10 5 284.86 21.52 10 10 5 254.33 20.37 10 10 6 23.77 6.07 10 10 6 19.23 5.44 10 10 7 298.60 22.35 10 10 7 286.25 22.14 10 10 8 10.72 4.27 10 10 8 17.34 5.54 10 10 9 77.11 11.29 10 10 9 67.68 10.68 10 10 10 6.96 3.78 10 10 10 10.87 4.30 10 10 11 275.61 22.71 10 10 11 244.12 22.20 10 10 12 68.34 12.40 10 10 13 15.61 5.69 10 11 1 34.58 7.49 10 11 2 322.84 23.24 10 11 3 487.58 28.86 10 11 3 400.18 26.82 10 11 4 100.51 12.47 10 11 4 100.10 12.60 10 11 5 144.26 15.02 10 11 5 137.96 15.19 10 11 6 24.35 6.13 10 11 6 25.37 6.85 10 11 7 545.73 31.20 10 11 7 524.29 32.47 10 11 8 12.16 4.59 10 11 8 10.78 4.53 10 11 9 368.38 25.39 10 11 9 354.22 26.62 10 11 10 72.61 11.06 10 11 10 69.44 11.57 10 11 11 156.27 17.88 10 11 12 287.52 23.38 10 11 12 274.69 24.64 10 12 2 5.53 3.03 10 12 3 313.54 22.50 10 12 4 15.85 4.82 10 12 4 5.59 3.48 10 12 5 62.18 9.46 10 12 5 54.68 9.82 10 12 6 45.26 8.05 10 12 6 42.68 8.83 10 12 7 298.83 21.50 10 12 7 226.43 21.64 10 12 8 40.25 7.74 10 12 8 39.67 9.01 10 12 9 193.00 17.56 10 12 9 155.36 17.83 10 12 10 56.24 9.40 10 12 10 61.61 11.14 10 12 11 112.42 15.44 10 13 4 108.97 14.31 10 13 5 124.77 15.57 10 13 6 143.03 17.12 10 13 7 16.85 6.06 10 13 8 149.63 18.21 10 13 9 5.14 2.87 10 14 5 174.74 19.90 10 14 6 239.20 23.10 11 -3 -2 39.54 8.87 11 -3 -1 135.12 15.95 11 -3 0 -1.63 2.75 11 -3 1 56.19 9.96 11 -3 2 33.31 8.26 11 -3 3 101.03 14.62 11 -2 0 -0.99 2.35 11 -2 1 477.83 33.19 11 -2 2 8.94 4.20 11 -2 3 301.58 25.67 11 -2 4 68.16 11.98 11 -2 5 78.85 13.04 11 -1 -1 205.67 21.37 11 -1 0 11.29 4.83 11 -1 1 106.50 14.91 11 -1 2 3.36 3.36 11 -1 3 219.35 21.67 11 -1 4 2.02 3.72 11 -1 5 478.96 33.14 11 -1 7 15.08 5.56 11 0 -2 46.55 9.91 11 0 -1 12.24 5.33 11 0 0 63.15 11.48 11 0 1 104.25 14.65 11 0 2 239.94 22.39 11 0 3 34.70 8.42 11 0 4 181.86 19.43 11 0 5 106.10 14.80 11 0 6 318.23 26.58 11 0 7 11.15 4.51 11 0 8 138.61 17.35 11 1 -2 151.15 18.32 11 1 -1 17.53 6.04 11 1 0 66.03 11.66 11 1 1 187.23 19.76 11 1 2 648.06 38.31 11 1 3 4.14 2.91 11 1 4 186.24 19.54 11 1 5 4.37 2.14 11 1 6 396.38 29.49 11 1 7 44.05 9.38 11 1 8 334.19 26.71 11 1 8 379.69 29.40 11 1 9 101.90 14.70 11 1 9 90.62 14.08 11 1 10 3.94 2.69 11 2 -2 174.60 19.68 11 2 -1 38.86 8.64 11 2 0 159.30 18.58 11 2 1 8.66 4.70 11 2 2 327.63 26.19 11 2 3 7.98 4.41 11 2 4 350.41 27.36 11 2 5 53.39 10.47 11 2 6 143.50 17.29 11 2 7 363.89 28.17 11 2 8 78.99 12.32 11 2 8 87.70 13.41 11 2 9 564.93 35.77 11 2 9 638.64 39.09 11 2 10 5.69 3.62 11 2 11 131.78 17.45 11 3 -3 36.39 9.14 11 3 -2 323.67 27.21 11 3 -1 7.86 4.62 11 3 0 233.03 22.20 11 3 1 4.01 3.31 11 3 2 68.58 11.39 11 3 3 13.78 4.39 11 3 4 336.30 26.35 11 3 5 301.92 24.98 11 3 6 1.74 2.37 11 3 7 65.16 10.13 11 3 7 71.19 11.90 11 3 8 15.61 4.88 11 3 8 20.75 6.71 11 3 9 538.78 34.02 11 3 9 610.65 37.80 11 3 10 12.52 4.61 11 3 10 6.36 4.06 11 3 11 456.13 33.02 11 4 -3 26.55 8.13 11 4 -2 180.63 20.06 11 4 -1 3.53 2.03 11 4 0 154.76 17.91 11 4 1 114.21 15.09 11 4 2 11.22 4.56 11 4 3 182.80 19.01 11 4 4 0.78 2.10 11 4 5 409.68 29.41 11 4 6 55.08 10.34 11 4 7 28.28 6.57 11 4 7 32.25 7.73 11 4 8 34.54 7.49 11 4 8 36.70 8.52 11 4 9 149.75 16.50 11 4 9 185.10 19.89 11 4 10 87.41 13.05 11 4 10 73.18 12.89 11 4 11 107.32 15.03 11 4 12 98.98 14.58 11 5 -3 60.94 11.74 11 5 -2 61.91 11.65 11 5 -1 -0.95 1.38 11 5 0 382.47 28.74 11 5 1 416.35 29.76 11 5 2 38.48 8.48 11 5 3 425.94 29.69 11 5 4 19.06 5.97 11 5 5 469.85 31.54 11 5 6 82.45 10.63 11 5 6 87.56 12.98 11 5 7 348.47 23.46 11 5 7 367.30 27.58 11 5 8 385.69 25.59 11 5 8 389.10 28.81 11 5 9 50.11 9.14 11 5 9 61.67 11.04 11 5 10 239.51 21.58 11 5 11 57.04 10.51 11 5 12 256.07 23.50 11 5 13 0.65 1.71 11 6 -2 1.98 0.98 11 6 -1 75.29 12.32 11 6 0 2.82 2.66 11 6 1 65.48 11.34 11 6 2 -0.75 2.19 11 6 3 44.86 9.04 11 6 4 -3.46 2.76 11 6 5 224.75 21.07 11 6 6 82.23 9.99 11 6 6 81.41 12.67 11 6 7 193.69 16.41 11 6 7 193.64 19.62 11 6 8 349.20 23.83 11 6 8 402.20 28.96 11 6 9 -3.61 3.00 11 6 9 -2.73 3.14 11 6 10 195.30 18.29 11 6 10 204.79 21.02 11 6 11 8.12 4.51 11 6 11 24.22 6.68 11 6 12 373.05 27.72 11 6 13 34.73 8.19 11 7 -2 -0.25 1.06 11 7 -1 328.06 26.77 11 7 0 75.01 12.26 11 7 1 111.24 14.76 11 7 2 85.06 12.73 11 7 3 180.14 18.60 11 7 4 289.10 23.52 11 7 5 12.51 4.96 11 7 6 190.71 19.19 11 7 7 2.86 0.98 11 7 8 145.46 16.82 11 7 8 148.47 14.20 11 7 9 0.81 1.24 11 7 9 -0.42 1.79 11 7 10 236.96 22.39 11 7 11 7.58 3.84 11 7 11 0.83 1.97 11 8 -1 179.40 19.94 11 8 0 12.19 4.91 11 8 1 65.53 11.07 11 8 2 141.28 16.58 11 8 3 93.02 13.16 11 8 4 437.55 29.49 11 8 5 41.55 8.38 11 8 6 162.91 17.61 11 8 7 10.43 4.17 11 8 7 6.76 2.32 11 8 8 360.89 26.91 11 8 8 308.09 21.84 11 8 9 76.04 12.41 11 8 9 71.34 10.55 11 8 10 78.44 12.63 11 8 10 78.88 11.53 11 8 11 150.99 17.70 11 8 11 121.72 15.23 11 8 12 -3.52 3.19 11 8 13 35.91 9.08 11 9 -1 94.92 14.25 11 9 0 171.99 18.64 11 9 1 0.85 0.59 11 9 2 155.24 17.19 11 9 3 -0.79 2.52 11 9 4 209.30 19.81 11 9 5 14.62 4.74 11 9 5 16.95 4.83 11 9 6 282.37 23.40 11 9 6 269.06 20.15 11 9 7 183.12 18.46 11 9 7 155.86 15.31 11 9 8 237.12 21.71 11 9 8 215.87 18.58 11 9 9 237.93 21.86 11 9 9 208.89 18.73 11 9 10 193.64 19.61 11 9 10 181.67 18.17 11 9 11 354.68 27.51 11 9 11 270.09 23.10 11 9 12 10.07 3.76 11 10 0 172.12 18.86 11 10 1 28.41 7.41 11 10 2 97.18 13.51 11 10 3 20.85 5.96 11 10 4 85.64 12.38 11 10 5 38.65 8.16 11 10 5 50.66 8.79 11 10 6 116.85 14.42 11 10 6 102.23 12.67 11 10 7 309.43 24.48 11 10 7 298.32 22.64 11 10 8 3.67 2.39 11 10 8 0.63 1.14 11 10 9 45.98 9.32 11 10 9 43.29 8.52 11 10 10 141.64 16.59 11 10 10 127.19 15.40 11 10 11 329.86 26.18 11 10 11 273.07 24.43 11 10 12 5.53 3.73 11 11 1 25.56 6.75 11 11 2 150.57 16.71 11 11 3 299.99 23.80 11 11 4 60.86 10.49 11 11 4 66.28 10.37 11 11 5 127.87 15.04 11 11 5 120.32 14.93 11 11 6 -0.21 0.80 11 11 6 3.36 2.91 11 11 7 392.72 27.39 11 11 7 393.54 27.38 11 11 8 30.14 7.36 11 11 8 28.51 6.79 11 11 9 166.52 17.89 11 11 9 172.61 18.24 11 11 10 63.34 11.00 11 11 10 44.48 9.19 11 11 11 81.52 12.70 11 11 11 89.39 13.56 11 12 3 367.58 25.96 11 12 4 8.78 4.24 11 12 4 13.23 5.22 11 12 5 131.55 15.18 11 12 5 135.88 15.98 11 12 6 46.65 8.62 11 12 6 29.82 7.70 11 12 7 234.42 20.40 11 12 7 232.85 21.56 11 12 8 -3.18 2.83 11 12 8 0.19 0.70 11 12 9 281.70 23.01 11 12 9 290.31 24.73 11 12 10 147.95 17.43 11 13 3 46.99 9.15 11 13 4 1.74 1.10 11 13 5 88.15 13.13 11 13 6 0.20 0.67 11 13 7 13.85 5.10 12 2 8 76.21 12.62 12 3 3 4.42 2.98 12 3 4 537.73 35.83 12 3 5 111.65 15.64 12 3 7 99.34 13.79 12 3 8 11.01 4.72 12 3 9 403.43 30.02 12 4 2 3.02 0.64 12 4 3 66.03 11.85 12 4 4 13.20 4.84 12 4 5 289.92 25.80 12 4 6 4.41 2.36 12 4 7 49.29 9.12 12 4 8 2.79 2.45 12 4 9 150.97 17.42 12 4 10 1.95 1.75 12 5 2 4.72 2.69 12 5 3 397.79 30.32 12 5 4 98.90 14.45 12 5 5 233.47 22.82 12 5 6 1.30 0.97 12 5 7 444.06 32.36 12 5 10 131.38 16.55 12 5 11 85.26 13.24 12 6 2 3.01 2.66 12 6 3 255.42 23.83 12 6 4 87.44 13.74 12 6 5 255.48 23.73 12 6 6 49.90 10.40 12 6 7 436.40 31.85 12 7 2 34.62 8.69 12 7 3 157.60 18.36 12 7 4 206.89 21.14 12 7 5 107.72 15.17 12 7 6 274.50 24.82 12 7 7 55.40 11.07 12 7 8 103.74 15.21 12 8 2 52.49 10.60 12 8 3 80.11 13.09 12 8 4 251.89 23.29 12 8 5 -1.22 2.99 12 8 6 266.48 23.94 12 8 7 0.24 0.67 12 8 8 86.55 13.76 12 9 2 176.68 19.55 12 9 3 11.16 4.95 12 9 4 130.95 16.69 12 9 5 10.17 4.29 12 9 6 262.78 23.70 12 9 7 91.75 13.91 12 9 8 130.63 16.78 12 10 3 4.29 2.72 12 10 4 21.06 6.43 12 10 5 5.65 3.70 12 10 6 217.21 21.25 12 10 7 101.99 14.44 12 10 8 69.62 12.08 12 11 3 169.05 18.65 12 11 4 25.46 7.19 12 11 5 114.15 15.03 12 11 6 -1.29 3.35 12 11 7 137.45 16.73 12 11 8 -0.04 0.86 0 0 0 0.00 0.00 TITL krieft16 in P-1 REM P-1 (#2 in standard setting) CELL 0.71073 8.627150 11.292779 12.006095 74.2435 74.8119 70.6020 ZERR 2.00 0.000636 0.000871 0.000967 0.0069 0.0070 0.0069 LATT 1 SFAC C H F P S Sb UNIT 28.00 40.00 20.00 2.00 4.00 2.00 REM CrysAlisPro recorded range (K): Min=100.0; max=100.0; aver:100.0 TEMP -173 SIZE 0.05 0.10 0.14 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 28233 _olex2_date_sample_data_collection 2021-07-23 _olex2_submission_special_instructions 'No special instructions were received' _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling - Detector area scaling ; _oxdiff_exptl_absorpt_empirical_full_max 1.121 _oxdiff_exptl_absorpt_empirical_full_min 0.911 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -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_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Sb1 Sb 0.48418(2) 0.56651(2) 0.27492(2) 0.01203(4) Uani 1 1 d . . . . . S1 S 0.37595(6) 0.36517(5) 0.46673(4) 0.01792(10) Uani 1 1 d . . . . . S2 S 0.65549(6) 0.16716(5) 0.57309(4) 0.01836(10) Uani 1 1 d . . . . . P1 P 0.69829(6) 0.25329(4) 0.31251(4) 0.01090(9) Uani 1 1 d . . . . . F1 F 0.26858(17) 0.65036(13) 0.08632(11) 0.0279(3) Uani 1 1 d . . . . . F2 F 0.22241(15) 0.48283(12) 0.21367(11) 0.0225(3) Uani 1 1 d . . . . . F3 F 0.05881(18) 0.6280(2) 0.37746(15) 0.0534(5) Uani 1 1 d . . . . . F4 F -0.03724(17) 0.69930(17) 0.21748(16) 0.0439(4) Uani 1 1 d . . . . . F5 F 0.1149(2) 0.79486(17) 0.2561(2) 0.0565(5) Uani 1 1 d . . . . . F6 F 0.59085(17) 0.63363(12) -0.00141(10) 0.0238(3) Uani 1 1 d . . . . . F7 F 0.77607(15) 0.62099(12) 0.09763(11) 0.0229(3) Uani 1 1 d . . . . . F8 F 0.60681(18) 0.84649(13) 0.15516(11) 0.0278(3) Uani 1 1 d . . . . . F9 F 0.40101(18) 0.86126(13) 0.07782(15) 0.0384(4) Uani 1 1 d . . . . . F10 F 0.6427(2) 0.86002(13) -0.03119(11) 0.0349(3) Uani 1 1 d . . . . . C1 C 0.2527(2) 0.59648(19) 0.20339(17) 0.0170(4) Uani 1 1 d . . . . . C2 C 0.0940(3) 0.6804(3) 0.2646(2) 0.0332(6) Uani 1 1 d . . . . . C3 C 0.6077(2) 0.66477(17) 0.09639(16) 0.0155(3) Uani 1 1 d . . . . . C4 C 0.5649(3) 0.80990(19) 0.07343(18) 0.0201(4) Uani 1 1 d . . . . . C5 C 0.6039(2) 0.38813(17) 0.20892(16) 0.0137(3) Uani 1 1 d . . . . . H5A H 0.518(3) 0.371(2) 0.189(2) 0.020(6) Uiso 1 1 d . . . . . H5B H 0.674(3) 0.405(3) 0.142(2) 0.027(7) Uiso 1 1 d . . . . . C6 C 0.9144(2) 0.26258(19) 0.30142(17) 0.0157(3) Uani 1 1 d . . . . . C7 C 0.8963(3) 0.3665(2) 0.3683(2) 0.0231(4) Uani 1 1 d . . . . . H7A H 1.002(4) 0.376(3) 0.359(2) 0.034(7) Uiso 1 1 d . . . . . H7B H 0.828(4) 0.449(3) 0.335(3) 0.048(9) Uiso 1 1 d . . . . . H7C H 0.851(3) 0.344(3) 0.447(3) 0.033(7) Uiso 1 1 d . . . . . C8 C 0.9959(3) 0.3020(2) 0.17285(19) 0.0206(4) Uani 1 1 d . . . . . H8A H 0.940(3) 0.388(3) 0.137(2) 0.025(6) Uiso 1 1 d . . . . . H8B H 1.107(3) 0.300(3) 0.173(2) 0.025(6) Uiso 1 1 d . . . . . H8C H 0.997(3) 0.242(3) 0.130(2) 0.024(6) Uiso 1 1 d . . . . . C9 C 1.0275(3) 0.1347(2) 0.3558(2) 0.0248(4) Uani 1 1 d . . . . . H9A H 1.052(3) 0.073(3) 0.305(2) 0.033(7) Uiso 1 1 d . . . . . H9B H 1.138(4) 0.150(3) 0.350(3) 0.043(8) Uiso 1 1 d . . . . . H9C H 0.978(4) 0.101(3) 0.438(3) 0.038(8) Uiso 1 1 d . . . . . C10 C 0.6850(2) 0.10588(17) 0.27642(16) 0.0144(3) Uani 1 1 d . . . . . C11 C 0.4997(3) 0.1281(2) 0.2728(2) 0.0204(4) Uani 1 1 d . . . . . H11A H 0.472(3) 0.189(3) 0.208(2) 0.025(6) Uiso 1 1 d . . . . . H11B H 0.487(3) 0.052(3) 0.260(2) 0.025(7) Uiso 1 1 d . . . . . H11C H 0.424(4) 0.148(3) 0.341(3) 0.039(8) Uiso 1 1 d . . . . . C12 C 0.7934(3) 0.0891(2) 0.15507(18) 0.0211(4) Uani 1 1 d . . . . . H12A H 0.904(3) 0.067(2) 0.158(2) 0.016(6) Uiso 1 1 d . . . . . H12B H 0.765(3) 0.021(3) 0.138(2) 0.023(6) Uiso 1 1 d . . . . . H12C H 0.760(3) 0.164(3) 0.097(2) 0.027(7) Uiso 1 1 d . . . . . C13 C 0.7370(3) -0.01555(19) 0.36851(19) 0.0195(4) Uani 1 1 d . . . . . H13A H 0.848(3) -0.038(3) 0.379(2) 0.026(6) Uiso 1 1 d . . . . . H13B H 0.666(3) -0.004(3) 0.445(2) 0.033(7) Uiso 1 1 d . . . . . H13C H 0.726(3) -0.088(2) 0.341(2) 0.016(6) Uiso 1 1 d . . . . . C14 C 0.5701(2) 0.26400(17) 0.46067(16) 0.0137(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 Sb1 0.01412(7) 0.00916(7) 0.01308(7) -0.00286(5) -0.00457(5) -0.00156(5) S1 0.0132(2) 0.0197(2) 0.0172(2) -0.00451(18) 0.00002(17) -0.00148(18) S2 0.0233(2) 0.0144(2) 0.0132(2) -0.00008(17) -0.00363(18) -0.00197(18) P1 0.0108(2) 0.0091(2) 0.0118(2) -0.00194(16) -0.00192(16) -0.00186(16) F1 0.0325(7) 0.0333(7) 0.0214(6) 0.0056(5) -0.0151(6) -0.0148(6) F2 0.0211(6) 0.0187(6) 0.0318(7) -0.0048(5) -0.0082(5) -0.0088(5) F3 0.0218(7) 0.1059(16) 0.0348(9) -0.0394(10) 0.0006(7) -0.0051(9) F4 0.0195(7) 0.0563(11) 0.0634(11) -0.0332(9) -0.0244(7) 0.0094(6) F5 0.0358(8) 0.0370(9) 0.1114(16) -0.0506(10) -0.0360(10) 0.0164(7) F6 0.0404(7) 0.0180(6) 0.0162(6) -0.0056(5) -0.0050(5) -0.0110(6) F7 0.0172(6) 0.0196(6) 0.0272(7) -0.0011(5) -0.0009(5) -0.0047(5) F8 0.0448(8) 0.0223(7) 0.0240(6) -0.0085(5) -0.0043(6) -0.0178(6) F9 0.0326(7) 0.0123(6) 0.0688(11) -0.0027(7) -0.0205(8) -0.0003(6) F10 0.0638(10) 0.0179(6) 0.0195(6) -0.0004(5) 0.0018(7) -0.0171(7) C1 0.0175(9) 0.0163(9) 0.0186(9) -0.0047(7) -0.0061(7) -0.0037(7) C2 0.0182(10) 0.0408(14) 0.0462(15) -0.0276(12) -0.0158(10) 0.0070(9) C3 0.0206(9) 0.0108(8) 0.0162(8) -0.0034(6) -0.0044(7) -0.0044(7) C4 0.0273(10) 0.0138(9) 0.0194(9) -0.0029(7) -0.0041(8) -0.0069(8) C5 0.0175(8) 0.0099(8) 0.0123(8) -0.0019(6) -0.0043(7) -0.0013(7) C6 0.0119(8) 0.0167(9) 0.0176(9) -0.0020(7) -0.0022(7) -0.0042(7) C7 0.0225(10) 0.0295(12) 0.0237(10) -0.0080(9) -0.0032(9) -0.0144(9) C8 0.0176(9) 0.0212(10) 0.0201(9) -0.0018(8) 0.0015(8) -0.0076(8) C9 0.0150(9) 0.0248(11) 0.0303(12) 0.0019(9) -0.0061(9) -0.0048(8) C10 0.0168(8) 0.0112(8) 0.0152(8) -0.0034(6) -0.0026(7) -0.0039(7) C11 0.0211(10) 0.0162(9) 0.0271(11) -0.0042(8) -0.0074(9) -0.0074(8) C12 0.0297(11) 0.0170(9) 0.0177(9) -0.0071(8) -0.0002(8) -0.0083(9) C13 0.0255(10) 0.0096(8) 0.0219(10) -0.0012(7) -0.0065(8) -0.0030(8) C14 0.0158(8) 0.0107(8) 0.0145(8) -0.0026(6) -0.0015(7) -0.0047(7) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist 0 0 1 0.0561 0 0 -1 0.0561 -1 -1 0 0.0564 1 1 0 0.0564 0 -1 0 0.0235 0 1 0 0.0235 -1 0 -2 0.0582 1 0 2 0.0582 -1 0 0 0.0430 1 0 0 0.0430 loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C1 Sb1 C3 91.13(7) . . ? C5 Sb1 C1 90.37(7) . . ? C5 Sb1 C3 85.85(7) . . ? C5 P1 C6 106.45(9) . . ? C5 P1 C10 107.27(8) . . ? C5 P1 C14 108.43(9) . . ? C6 P1 C10 115.79(9) . . ? C14 P1 C6 112.08(8) . . ? C14 P1 C10 106.54(8) . . ? F1 C1 Sb1 112.59(12) . . ? F1 C1 C2 106.49(18) . . ? F2 C1 Sb1 111.09(13) . . ? F2 C1 F1 105.34(14) . . ? F2 C1 C2 106.47(17) . . ? C2 C1 Sb1 114.26(12) . . ? F3 C2 F4 107.8(2) . . ? F3 C2 F5 108.4(2) . . ? F3 C2 C1 110.7(2) . . ? F4 C2 F5 107.9(2) . . ? F4 C2 C1 112.39(17) . . ? F5 C2 C1 109.4(2) . . ? F6 C3 Sb1 116.47(11) . . ? F6 C3 F7 105.18(15) . . ? F6 C3 C4 107.00(15) . . ? F7 C3 Sb1 104.88(12) . . ? F7 C3 C4 105.66(14) . . ? C4 C3 Sb1 116.50(13) . . ? F8 C4 F9 107.83(17) . . ? F8 C4 F10 107.47(16) . . ? F8 C4 C3 110.40(17) . . ? F9 C4 F10 107.71(19) . . ? F9 C4 C3 110.12(16) . . ? F10 C4 C3 113.12(17) . . ? Sb1 C5 H5A 104.4(15) . . ? Sb1 C5 H5B 107.6(17) . . ? P1 C5 Sb1 115.18(9) . . ? P1 C5 H5A 108.8(16) . . ? P1 C5 H5B 113.4(18) . . ? H5A C5 H5B 107(2) . . ? C7 C6 P1 106.64(14) . . ? C8 C6 P1 110.99(13) . . ? C8 C6 C7 108.82(17) . . ? C8 C6 C9 108.59(17) . . ? C9 C6 P1 112.06(13) . . ? C9 C6 C7 109.68(17) . . ? C6 C7 H7A 107.5(17) . . ? C6 C7 H7B 112.5(18) . . ? C6 C7 H7C 110.9(16) . . ? H7A C7 H7B 106(2) . . ? H7A C7 H7C 111(2) . . ? H7B C7 H7C 109(2) . . ? C6 C8 H8A 112.8(15) . . ? C6 C8 H8B 106.7(15) . . ? C6 C8 H8C 108.7(15) . . ? H8A C8 H8B 107(2) . . ? H8A C8 H8C 111(2) . . ? H8B C8 H8C 111(2) . . ? C6 C9 H9A 108.7(18) . . ? C6 C9 H9B 106.7(19) . . ? C6 C9 H9C 112.7(18) . . ? H9A C9 H9B 105(2) . . ? H9A C9 H9C 112(2) . . ? H9B C9 H9C 112(2) . . ? C11 C10 P1 106.70(13) . . ? C12 C10 P1 109.24(12) . . ? C12 C10 C11 109.69(16) . . ? C13 C10 P1 113.32(12) . . ? C13 C10 C11 107.80(16) . . ? C13 C10 C12 109.99(17) . . ? C10 C11 H11A 109.3(15) . . ? C10 C11 H11B 108.7(15) . . ? C10 C11 H11C 114.8(18) . . ? H11A C11 H11B 105(2) . . ? H11A C11 H11C 111(3) . . ? H11B C11 H11C 107(2) . . ? C10 C12 H12A 110.4(15) . . ? C10 C12 H12B 103.8(14) . . ? C10 C12 H12C 110.5(16) . . ? H12A C12 H12B 111(2) . . ? H12A C12 H12C 114(2) . . ? H12B C12 H12C 107(2) . . ? C10 C13 H13A 115.2(17) . . ? C10 C13 H13B 109.2(17) . . ? C10 C13 H13C 107.0(14) . . ? H13A C13 H13B 106(2) . . ? H13A C13 H13C 107(2) . . ? H13B C13 H13C 112.3(19) . . ? S1 C14 P1 116.56(11) . . ? S2 C14 S1 127.06(12) . . ? S2 C14 P1 116.30(11) . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Sb1 C1 2.2651(18) . ? Sb1 C3 2.2931(19) . ? Sb1 C5 2.1928(18) . ? S1 C14 1.681(2) . ? S2 C14 1.657(2) . ? P1 C5 1.7910(19) . ? P1 C6 1.8697(18) . ? P1 C10 1.8752(17) . ? P1 C14 1.8437(19) . ? F1 C1 1.362(2) . ? F2 C1 1.360(2) . ? F3 C2 1.322(3) . ? F4 C2 1.325(2) . ? F5 C2 1.337(3) . ? F6 C3 1.368(2) . ? F7 C3 1.373(2) . ? F8 C4 1.330(2) . ? F9 C4 1.331(3) . ? F10 C4 1.332(2) . ? C1 C2 1.517(3) . ? C3 C4 1.518(3) . ? C5 H5A 0.93(2) . ? C5 H5B 0.89(3) . ? C6 C7 1.540(3) . ? C6 C8 1.530(3) . ? C6 C9 1.533(3) . ? C7 H7A 0.93(3) . ? C7 H7B 0.97(4) . ? C7 H7C 0.93(3) . ? C8 H8A 0.97(3) . ? C8 H8B 0.95(2) . ? C8 H8C 0.94(2) . ? C9 H9A 0.98(3) . ? C9 H9B 1.00(3) . ? C9 H9C 0.99(3) . ? C10 C11 1.544(3) . ? C10 C12 1.534(3) . ? C10 C13 1.527(3) . ? C11 H11A 0.91(3) . ? C11 H11B 0.95(3) . ? C11 H11C 0.93(3) . ? C12 H12A 0.91(3) . ? C12 H12B 0.96(2) . ? C12 H12C 0.95(3) . ? C13 H13A 0.94(3) . ? C13 H13B 0.98(3) . ? C13 H13C 0.99(2) . ? 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_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag Sb1 C1 C2 F3 -61.6(2) . . . . ? Sb1 C1 C2 F4 177.75(18) . . . . ? Sb1 C1 C2 F5 57.9(2) . . . . ? Sb1 C3 C4 F8 58.7(2) . . . . ? Sb1 C3 C4 F9 -60.23(19) . . . . ? Sb1 C3 C4 F10 179.20(13) . . . . ? F1 C1 C2 F3 173.42(16) . . . . ? F1 C1 C2 F4 52.8(3) . . . . ? F1 C1 C2 F5 -67.1(2) . . . . ? F2 C1 C2 F3 61.4(2) . . . . ? F2 C1 C2 F4 -59.2(3) . . . . ? F2 C1 C2 F5 -179.14(18) . . . . ? F6 C3 C4 F8 -168.95(15) . . . . ? F6 C3 C4 F9 72.1(2) . . . . ? F6 C3 C4 F10 -48.5(2) . . . . ? F7 C3 C4 F8 -57.2(2) . . . . ? F7 C3 C4 F9 -176.19(16) . . . . ? F7 C3 C4 F10 63.2(2) . . . . ? C5 P1 C6 C7 77.30(15) . . . . ? C5 P1 C6 C8 -41.08(16) . . . . ? C5 P1 C6 C9 -162.68(14) . . . . ? C5 P1 C10 C11 -52.90(15) . . . . ? C5 P1 C10 C12 65.61(15) . . . . ? C5 P1 C10 C13 -171.39(14) . . . . ? C5 P1 C14 S1 15.88(12) . . . . ? C5 P1 C14 S2 -167.18(9) . . . . ? C6 P1 C5 Sb1 -85.83(11) . . . . ? C6 P1 C10 C11 -171.56(13) . . . . ? C6 P1 C10 C12 -53.05(16) . . . . ? C6 P1 C10 C13 69.96(16) . . . . ? C6 P1 C14 S1 133.09(10) . . . . ? C6 P1 C14 S2 -49.97(13) . . . . ? C10 P1 C5 Sb1 149.64(9) . . . . ? C10 P1 C6 C7 -163.59(14) . . . . ? C10 P1 C6 C8 78.03(16) . . . . ? C10 P1 C6 C9 -43.57(17) . . . . ? C10 P1 C14 S1 -99.30(11) . . . . ? C10 P1 C14 S2 77.64(12) . . . . ? C14 P1 C5 Sb1 34.94(12) . . . . ? C14 P1 C6 C7 -41.09(17) . . . . ? C14 P1 C6 C8 -159.47(13) . . . . ? C14 P1 C6 C9 78.93(16) . . . . ? C14 P1 C10 C11 63.06(15) . . . . ? C14 P1 C10 C12 -178.43(14) . . . . ? C14 P1 C10 C13 -55.43(16) . . . . ? loop_ _exptl_oxdiff_crystal_face_indexfrac_h _exptl_oxdiff_crystal_face_indexfrac_k _exptl_oxdiff_crystal_face_indexfrac_l _exptl_oxdiff_crystal_face_x _exptl_oxdiff_crystal_face_y _exptl_oxdiff_crystal_face_z 0.0014 -0.0099 1.0017 0.0040 0.0621 -0.0079 -0.0014 0.0099 -1.0017 -0.0040 -0.0621 0.0079 -0.9968 -0.9973 -0.0013 0.0012 0.0418 0.0855 0.9968 0.9973 0.0013 -0.0012 -0.0418 -0.0855 -0.0004 -1.0012 -0.0026 0.0611 0.0139 0.0265 0.0004 1.0012 0.0026 -0.0611 -0.0139 -0.0265 -0.9992 0.0238 -2.0020 -0.0679 -0.0964 0.0747 0.9992 -0.0238 2.0020 0.0679 0.0964 -0.0747 -0.9964 0.0039 0.0014 -0.0599 0.0278 0.0590 0.9964 -0.0039 -0.0014 0.0599 -0.0278 -0.0590