#------------------------------------------------------------------------------ #$Date: 2024-11-21 01:10:52 +0200 (Thu, 21 Nov 2024) $ #$Revision: 296021 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/57/32/1573229.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_1573229 loop_ _publ_author_name 'Sumida, Akifumi' 'Saeki, Akinori' 'Matsuo, Kyohei' 'Naka, Kensuke' 'Imoto, Hiroaki' _publ_section_title ; Dithienoarsinines: Stable and Planer \p-Extended Arsabenzenes ; _journal_name_full 'Chemical Science' _journal_paper_doi 10.1039/D4SC06590E _journal_year 2024 _chemical_formula_moiety 'C34 H16 As2 S4' _chemical_formula_sum 'C34 H16 As2 S4' _chemical_formula_weight 702.55 _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 geom _atom_sites_solution_primary dual _audit_creation_date 2023-01-23 _audit_creation_method ; Olex2 1.5-ac5-024 (compiled 2022.04.12 svn.rca3783a0 for Rigaku Oxford Diffraction, GUI svn.r6498) ; _audit_update_record ; 2024-09-20 deposited with the CCDC. 2024-11-18 downloaded from the CCDC. ; _cell_angle_alpha 87.822(5) _cell_angle_beta 85.309(5) _cell_angle_gamma 80.114(6) _cell_formula_units_Z 2 _cell_length_a 8.0954(6) _cell_length_b 11.3660(7) _cell_length_c 15.4655(8) _cell_measurement_reflns_used 3347 _cell_measurement_temperature 100.00 _cell_measurement_theta_max 31.3340 _cell_measurement_theta_min 2.8670 _cell_volume 1396.77(16) _computing_cell_refinement 'CrysAlisPro 1.171.42.74a (Rigaku OD, 2022)' _computing_data_collection 'CrysAlisPro 1.171.42.74a (Rigaku OD, 2022)' _computing_data_reduction 'CrysAlisPro 1.171.42.74a (Rigaku OD, 2022)' _computing_molecular_graphics 'Olex2 1.5-ac5-024 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5-ac5-024 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _diffrn_ambient_temperature 100.00 _diffrn_detector 'CCD plate' _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.999 _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 -73.00 -46.00 0.10 7.00 -- 30.00 54.00 120.00 270 2 \w 8.00 34.00 0.10 7.00 -- 30.00 54.00 120.00 260 3 \w -71.00 34.00 0.10 7.00 -- 30.00 54.00 0.00 1050 4 \w -74.00 110.00 0.10 7.00 -- 30.00 54.00-120.00 1840 ; _diffrn_measurement_device 'two-circle diffractometer' _diffrn_measurement_device_type 'XtaLAB Mini (JP)' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 -0.0067839000 _diffrn_orient_matrix_UB_12 -0.0132236000 _diffrn_orient_matrix_UB_13 0.0452128000 _diffrn_orient_matrix_UB_21 -0.0109842000 _diffrn_orient_matrix_UB_22 0.0618299000 _diffrn_orient_matrix_UB_23 0.0085846000 _diffrn_orient_matrix_UB_31 -0.0882605000 _diffrn_orient_matrix_UB_32 0.0041619000 _diffrn_orient_matrix_UB_33 -0.0009874000 _diffrn_radiation_monochromator graphite _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0346 _diffrn_reflns_av_unetI/netI 0.0658 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.999 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_number 8439 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.999 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 26.373 _diffrn_reflns_theta_min 2.791 _diffrn_source 'fine-focus sealed X-ray tube' _diffrn_source_type 'Rigaku (Mo) X-ray Source' _exptl_absorpt_coefficient_mu 2.716 _exptl_absorpt_correction_T_max 0.968 _exptl_absorpt_correction_T_min 0.811 _exptl_absorpt_correction_type analytical _exptl_absorpt_process_details ; CrysAlisPro 1.171.42.74a (Rigaku Oxford Diffraction, 2022) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour brown _exptl_crystal_colour_primary brown _exptl_crystal_density_diffrn 1.670 _exptl_crystal_description needle _exptl_crystal_F_000 700 _exptl_crystal_size_max 0.608 _exptl_crystal_size_mid 0.129 _exptl_crystal_size_min 0.055 _refine_diff_density_max 1.494 _refine_diff_density_min -0.914 _refine_diff_density_rms 0.125 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.016 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 361 _refine_ls_number_reflns 5695 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.016 _refine_ls_R_factor_all 0.0609 _refine_ls_R_factor_gt 0.0421 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0477P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0969 _refine_ls_wR_factor_ref 0.1076 _reflns_Friedel_coverage 0.000 _reflns_number_gt 4442 _reflns_number_total 5695 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d4sc06590e2.cif _cod_data_source_block 3d' _cod_database_code 1573229 _shelx_shelxl_version_number 2018/3 _chemical_oxdiff_formula CHSAs _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 0.854 _shelx_estimated_absorpt_t_min 0.288 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups 2.a Aromatic/amide H refined with riding coordinates: C27(H27), C24(H24), C10(H10), C33(H33), C30(H30), C25(H25), C26(H26), C32(H32), C7(H7), C31(H31), C16(H16), C8(H8), C15(H15), C9(H9), C13(H13), C14(H14) ; _shelx_res_file ; TITL 3d'_a.res in P-1 3d'.res created by SHELXL-2018/3 at 07:54:48 on 23-Jan-2023 REM Old TITL 3d' in P-1 REM SHELXT solution in P-1: R1 0.135, Rweak 0.004, Alpha 0.044 REM 0.000 for 0 systematic absences, Orientation as input REM Formula found by SHELXT: C34 S4 As2 CELL 0.71073 8.0954 11.366 15.4655 87.822 85.309 80.114 ZERR 2 0.0006 0.0007 0.0008 0.005 0.005 0.006 LATT 1 SFAC C H As S UNIT 68 32 4 8 L.S. 20 PLAN 1 SIZE 0.06 0.13 0.61 TEMP -173.15 BOND list 4 fmap 2 acta OMIT 0 0 2 REM REM REM WGHT 0.047700 FVAR 0.35229 AS1 3 0.270844 0.583136 0.497094 11.00000 0.03246 0.02545 = 0.01353 -0.00572 -0.00346 -0.00363 AS2 3 0.423141 0.191942 0.057746 11.00000 0.02610 0.02611 = 0.01480 -0.00728 -0.00341 -0.00391 S3 4 0.029069 0.453149 0.197647 11.00000 0.02791 0.02583 = 0.01709 -0.00511 0.00007 -0.00372 S4 4 0.675828 0.288639 0.283325 11.00000 0.02953 0.03086 = 0.01774 -0.00606 -0.00564 -0.00750 S1 4 0.432128 0.624479 0.217469 11.00000 0.03354 0.02695 = 0.01719 -0.00137 -0.00071 -0.00703 S2 4 0.235915 0.232916 0.389084 11.00000 0.04290 0.02561 = 0.01976 -0.00313 -0.00266 -0.01238 C3 1 0.327588 0.436228 0.312245 11.00000 0.02317 0.02438 = 0.01242 -0.00373 -0.00344 -0.00270 C34 1 0.731078 0.144776 0.151331 11.00000 0.02549 0.02255 = 0.01585 0.00070 -0.00181 -0.00908 C18 1 0.236324 0.301156 0.098281 11.00000 0.02602 0.01697 = 0.01334 -0.00274 0.00104 -0.00713 C1 1 0.345227 0.625469 0.385119 11.00000 0.02195 0.02411 = 0.01617 -0.00394 -0.00587 -0.00215 C22 1 0.561841 0.210149 0.145343 11.00000 0.02210 0.02425 = 0.01561 -0.00226 -0.00089 -0.00859 C20 1 0.358355 0.363881 0.230512 11.00000 0.03019 0.02201 = 0.01135 -0.00257 0.00001 -0.00863 C2 1 0.361356 0.552042 0.312650 11.00000 0.02235 0.02701 = 0.01423 -0.00221 -0.00275 -0.00253 C4 1 0.271549 0.381145 0.389000 11.00000 0.02651 0.02336 = 0.01806 -0.00639 -0.00347 -0.00339 C11 1 0.394957 0.741203 0.362719 11.00000 0.02436 0.02142 = 0.02494 -0.00060 -0.00737 -0.00075 C28 1 0.079991 0.325971 0.057173 11.00000 0.02643 0.01818 = 0.01626 0.00108 0.00038 -0.00769 C19 1 0.228828 0.365806 0.175519 11.00000 0.02704 0.01607 = 0.01516 -0.00230 0.00167 -0.00685 C29 1 0.808401 0.179232 0.222198 11.00000 0.02882 0.02093 = 0.01834 -0.00002 -0.00075 -0.00884 C21 1 0.513470 0.290769 0.213859 11.00000 0.02662 0.02592 = 0.01548 -0.00173 -0.00166 -0.01169 C5 1 0.240358 0.430654 0.471962 11.00000 0.02260 0.02504 = 0.01424 -0.00266 -0.00291 -0.00400 C17 1 0.183218 0.345615 0.535380 11.00000 0.01934 0.03347 = 0.01858 0.00441 -0.00543 -0.00180 C27 1 0.039009 0.281707 -0.020800 11.00000 0.02939 0.02141 = 0.01843 -0.00231 -0.00255 -0.00807 AFIX 43 H27 2 0.120004 0.227175 -0.053677 11.00000 -1.20000 AFIX 0 C24 1 -0.204113 0.444711 0.074290 11.00000 0.02622 0.02442 = 0.02681 0.00340 0.00048 -0.00602 AFIX 43 H24 2 -0.286171 0.499838 0.106068 11.00000 -1.20000 AFIX 0 C23 1 -0.043762 0.407822 0.103524 11.00000 0.03005 0.01972 = 0.01354 0.00073 0.00026 -0.00898 C10 1 0.401830 0.835327 0.417088 11.00000 0.03821 0.02583 = 0.02707 -0.00482 -0.01020 -0.00477 AFIX 43 H10 2 0.370183 0.828703 0.477363 11.00000 -1.20000 AFIX 0 C33 1 0.821291 0.053813 0.098571 11.00000 0.03006 0.02485 = 0.02159 0.00068 -0.00207 -0.00994 AFIX 43 H33 2 0.771449 0.027547 0.050889 11.00000 -1.20000 AFIX 0 C30 1 0.971819 0.128725 0.238820 11.00000 0.02868 0.03332 = 0.02234 0.00477 -0.00774 -0.01035 AFIX 43 H30 2 1.023311 0.154446 0.286128 11.00000 -1.20000 AFIX 0 C25 1 -0.239458 0.398560 -0.002146 11.00000 0.02353 0.02927 = 0.02378 0.00746 -0.00635 -0.00935 AFIX 43 H25 2 -0.347592 0.422132 -0.023110 11.00000 -1.20000 AFIX 0 C26 1 -0.118993 0.317937 -0.049026 11.00000 0.03356 0.02694 = 0.01994 0.00487 -0.00684 -0.01038 AFIX 43 H26 2 -0.146509 0.287483 -0.101388 11.00000 -1.20000 AFIX 0 C6 1 0.443596 0.753138 0.273821 11.00000 0.02368 0.02541 = 0.02467 -0.00034 -0.00494 -0.00302 C12 1 0.171726 0.236323 0.499619 11.00000 0.02956 0.03036 = 0.02054 0.00314 -0.00353 -0.00283 C32 1 0.981970 0.003058 0.116311 11.00000 0.02822 0.02820 = 0.02772 0.00210 -0.00003 -0.00359 AFIX 43 H32 2 1.042194 -0.058773 0.080716 11.00000 -1.20000 AFIX 0 C7 1 0.497295 0.856885 0.239202 11.00000 0.03153 0.02683 = 0.03742 0.00350 -0.00332 -0.00535 AFIX 43 H7 2 0.530612 0.863820 0.179141 11.00000 -1.20000 AFIX 0 C31 1 1.058030 0.040479 0.185345 11.00000 0.02566 0.03282 = 0.03197 0.01244 -0.00525 -0.00525 AFIX 43 H31 2 1.169958 0.005129 0.195783 11.00000 -1.20000 AFIX 0 C16 1 0.138655 0.361473 0.624746 11.00000 0.03247 0.03196 = 0.02056 -0.00035 0.00064 0.00096 AFIX 43 H16 2 0.146817 0.434443 0.650753 11.00000 -1.20000 AFIX 0 C8 1 0.500750 0.949059 0.294408 11.00000 0.03989 0.02899 = 0.04314 0.00582 -0.00825 -0.01387 AFIX 43 H8 2 0.534790 1.020883 0.272010 11.00000 -1.20000 AFIX 0 C15 1 0.082899 0.269963 0.674371 11.00000 0.04601 0.04141 = 0.02593 0.00646 0.00300 0.00268 AFIX 43 H15 2 0.053030 0.280216 0.734638 11.00000 -1.20000 AFIX 0 C9 1 0.454247 0.937283 0.383477 11.00000 0.04962 0.02270 = 0.04102 -0.00501 -0.01539 -0.00835 AFIX 43 H9 2 0.459196 1.000784 0.420874 11.00000 -1.20000 AFIX 0 C13 1 0.115190 0.143859 0.549431 11.00000 0.04385 0.03166 = 0.03537 0.00509 -0.00088 -0.00894 AFIX 43 H13 2 0.107861 0.070196 0.524197 11.00000 -1.20000 AFIX 0 C14 1 0.070382 0.162937 0.636369 11.00000 0.05016 0.04111 = 0.03174 0.01748 0.00270 -0.00835 AFIX 43 H14 2 0.030023 0.101661 0.671178 11.00000 -1.20000 AFIX 0 HKLF 4 REM 3d'_a.res in P-1 REM wR2 = 0.1076, GooF = S = 1.016, Restrained GooF = 1.016 for all data REM R1 = 0.0421 for 4442 Fo > 4sig(Fo) and 0.0609 for all 5695 data REM 361 parameters refined using 0 restraints END WGHT 0.0477 0.0000 REM Highest difference peak 1.494, deepest hole -0.914, 1-sigma level 0.125 Q1 1 0.2743 0.5021 0.5011 11.00000 0.05 1.49 ; _shelx_res_checksum 94489 _shelx_hkl_file ; 0 0 2 21.29 2.17 0 0 3 157.45 5.80 0 0 -3 161.79 6.42 0 0 4 708.64 13.84 0 0 -4 701.03 15.32 0 0 -5 100.23 6.61 0 0 5 84.45 5.31 0 0 -6 -0.61 1.22 0 0 6 0.01 0.91 0 0 7 2456.31 32.63 0 0 -7 2489.76 37.69 0 0 -8 26.56 4.29 0 0 8 26.28 3.44 0 0 -9 1224.83 30.09 0 0 9 1197.99 25.41 0 0 10 425.03 15.76 0 0 -10 431.40 19.11 0 0 11 442.31 17.09 0 0 -11 445.86 20.76 0 0 12 60.34 6.71 0 0 -12 56.20 8.05 0 0 -13 7.22 3.25 0 0 13 5.30 2.70 0 0 14 236.81 14.31 0 0 -14 229.47 17.45 0 0 -15 5.80 3.62 0 0 15 -2.19 3.14 0 0 16 157.27 12.64 0 0 -16 148.89 15.55 0 0 17 10.72 4.16 0 0 -17 5.71 3.41 0 0 18 444.07 22.21 0 0 -18 416.43 27.88 0 0 19 2.86 3.35 0 1 -19 30.40 7.92 0 1 -18 4.41 3.39 0 -1 18 -0.28 3.35 0 1 -17 20.02 6.03 0 -1 17 25.41 5.61 0 -1 16 22.40 4.54 0 1 -16 26.37 6.92 0 -1 15 10.04 3.47 0 1 -15 8.20 4.07 0 1 -14 272.92 19.57 0 -1 14 282.34 15.49 0 1 -13 12.60 4.32 0 -1 13 12.65 3.88 0 -1 12 338.42 15.39 0 1 -12 341.12 19.48 0 1 -11 8.59 3.31 0 -1 11 8.32 2.67 0 1 -10 1642.27 37.60 0 -1 10 1629.77 31.69 0 1 -9 66.75 7.27 0 -1 9 68.68 6.50 0 1 -8 10.25 2.89 0 -1 8 7.12 2.15 0 1 -7 438.71 16.33 0 -1 7 435.30 14.25 0 1 -6 285.73 12.30 0 -1 6 283.03 10.82 0 1 -5 418.24 13.77 0 -1 5 409.36 11.76 0 -1 4 223.84 7.94 0 1 -4 217.74 9.12 0 1 -3 1051.74 16.82 0 -1 3 907.15 16.46 0 -1 2 847.91 12.19 0 -1 2 906.10 11.88 0 1 -2 934.18 11.13 0 1 -2 929.09 13.48 0 -1 -2 2488.06 18.38 0 1 2 2435.49 19.78 0 -1 -3 50.64 3.59 0 1 3 50.44 3.33 0 -1 -4 2247.26 26.94 0 1 4 2245.90 24.30 0 -1 -5 37.41 4.00 0 1 5 38.17 3.55 0 -1 -6 1341.31 25.75 0 1 6 1337.61 22.43 0 -1 -7 725.24 20.40 0 1 7 715.99 17.58 0 1 8 595.63 17.08 0 -1 -8 586.84 19.46 0 -1 -9 271.35 14.19 0 1 9 273.79 12.26 0 1 10 182.44 10.57 0 -1 -10 173.62 12.16 0 1 11 171.40 10.78 0 -1 -11 170.38 12.90 0 1 12 63.72 6.96 0 -1 -12 61.96 8.47 0 -1 -13 364.09 20.77 0 1 13 373.05 17.48 0 1 14 4.52 2.66 0 -1 -14 2.61 2.84 0 1 15 163.53 12.53 0 -1 -15 165.81 15.25 0 1 16 14.30 4.53 0 -1 -16 18.83 5.78 0 1 17 363.28 19.84 0 1 18 70.67 9.23 0 1 19 -2.81 2.96 0 2 -18 213.29 20.57 0 2 -17 65.48 11.16 0 -2 17 68.52 8.73 0 2 -16 13.15 5.20 0 -2 16 21.95 5.31 0 2 -15 47.87 8.88 0 -2 15 48.06 6.72 0 -2 14 37.05 5.73 0 2 -14 38.50 7.58 0 2 -13 229.73 17.08 0 -2 13 235.13 13.55 0 2 -12 25.00 5.82 0 -2 12 30.30 4.96 0 2 -11 -0.86 2.26 0 -2 11 0.80 1.74 0 -2 10 587.88 19.50 0 2 -10 577.55 23.15 0 -2 9 729.79 21.19 0 2 -9 735.93 24.86 0 2 -8 17.24 3.95 0 -2 8 14.59 2.88 0 2 -7 17.79 3.49 0 -2 7 17.74 2.88 0 -2 6 1752.33 27.82 0 2 -6 1728.45 31.54 0 2 -5 0.18 1.01 0 -2 5 3.74 1.71 0 -2 4 151.82 6.91 0 -2 4 149.99 7.27 0 2 -4 156.12 8.23 0 2 -3 706.69 15.35 0 2 -3 723.36 12.93 0 -2 3 714.92 13.81 0 2 -2 112.67 5.47 0 -2 2 120.99 5.50 0 2 -2 106.50 4.51 0 2 -1 141.27 5.35 0 2 -1 153.40 5.24 0 2 0 713.30 10.87 0 2 0 723.02 11.19 0 2 1 88.39 4.01 0 2 2 249.19 7.27 0 2 3 1772.90 21.29 0 -2 -4 17.84 2.50 0 2 4 19.53 2.58 0 2 5 291.38 10.25 0 -2 -5 287.93 9.63 0 -2 -6 36.95 3.75 0 -2 -6 34.44 4.33 0 2 6 32.77 3.77 0 2 7 66.06 5.56 0 -2 -7 69.69 5.53 0 -2 -7 75.45 6.78 0 -2 -8 44.10 4.66 0 -2 -8 42.37 5.46 0 2 8 41.17 4.87 0 2 9 42.41 5.08 0 -2 -9 46.30 6.14 0 2 10 377.36 15.64 0 -2 -10 386.23 18.30 0 -2 -11 35.82 5.79 0 2 11 39.43 5.25 0 2 12 854.42 25.42 0 -2 -12 862.41 30.01 0 2 13 0.10 1.84 0 -2 -13 1.84 1.72 0 -2 -13 -0.43 2.05 0 2 14 0.95 1.92 0 -2 -14 8.18 3.65 0 2 15 49.57 7.06 0 -2 -15 56.05 8.03 0 2 16 52.65 7.71 0 2 17 46.17 7.47 0 2 18 51.21 8.72 0 2 19 102.03 11.64 0 3 -18 14.61 6.15 0 -3 17 5.86 2.95 0 3 -17 7.85 4.29 0 -3 16 82.80 9.15 0 3 -16 83.35 12.35 0 -3 15 87.74 9.12 0 3 -15 86.82 11.71 0 -3 14 4.18 2.77 0 3 -14 1.54 2.83 0 3 -13 83.89 10.63 0 -3 13 90.86 8.88 0 -3 12 146.57 10.79 0 3 -12 141.77 13.19 0 -3 11 31.67 5.10 0 3 -11 28.35 5.97 0 3 -10 431.53 20.70 0 -3 10 435.20 17.03 0 3 -9 46.20 6.85 0 -3 9 47.16 5.21 0 -3 8 32.58 4.29 0 3 -8 33.34 5.50 0 -3 7 197.44 11.73 0 3 -7 249.33 13.76 0 3 -6 11.69 2.91 0 -3 6 12.44 2.59 0 -3 6 11.26 2.57 0 3 -5 90.51 7.19 0 -3 5 84.37 6.06 0 3 -5 88.56 5.70 0 3 -4 5.31 1.62 0 3 -4 7.03 2.51 0 -3 4 5.92 1.56 0 3 -3 34.05 3.65 0 -3 3 42.18 3.94 0 3 -3 34.03 3.02 0 3 -2 21.16 2.38 0 3 -2 19.21 2.68 0 3 -1 78.18 4.64 0 3 -1 81.05 4.67 0 3 0 4.19 1.21 0 3 0 3.84 1.37 0 3 1 9.19 1.77 0 3 2 758.91 14.94 0 3 3 70.83 4.80 0 3 4 17.81 2.53 0 3 5 85.32 6.05 0 3 6 78.66 6.33 0 -3 -6 80.54 6.24 0 3 7 9.03 2.53 0 -3 -7 9.81 2.40 0 -3 -8 523.28 16.92 0 3 8 495.16 16.96 0 -3 -9 193.65 10.51 0 3 9 190.24 11.20 0 -3 -10 79.04 6.94 0 3 10 79.00 7.55 0 3 11 244.67 13.46 0 -3 -11 235.68 12.34 0 -3 -12 400.93 16.87 0 3 12 406.03 18.36 0 -3 -13 105.61 9.06 0 3 13 110.68 9.89 0 3 14 15.89 3.90 0 -3 -14 15.48 3.90 0 3 15 26.69 5.48 0 3 16 194.54 14.63 0 3 17 98.58 10.78 0 3 18 1.74 2.79 0 4 -18 17.45 6.62 0 4 -17 -6.07 5.17 0 -4 16 36.81 6.27 0 4 -16 32.87 8.15 0 -4 15 365.91 18.83 0 4 -15 386.11 25.06 0 4 -14 5.14 3.85 0 -4 14 -1.75 2.92 0 -4 13 35.18 5.90 0 4 -13 25.77 6.31 0 4 -12 62.56 9.11 0 -4 12 50.05 6.74 0 4 -11 184.91 14.66 0 -4 11 183.03 11.85 0 -4 10 23.45 4.34 0 4 -10 26.87 5.61 0 -4 9 31.75 5.04 0 4 -9 26.63 5.53 0 -4 8 120.79 10.09 0 4 -8 137.09 11.37 0 -4 7 3.99 1.92 0 -4 7 0.48 1.63 0 4 -7 2.08 1.35 0 -4 6 620.46 18.87 0 4 -6 604.19 20.43 0 4 -6 605.90 16.48 0 4 -5 339.15 12.03 0 4 -5 318.55 13.63 0 -4 5 324.97 12.85 0 4 -4 608.71 15.05 0 -4 4 609.74 17.12 0 4 -4 601.85 17.57 0 4 -3 1.28 1.37 0 -4 3 5.11 2.38 0 4 -3 4.14 1.69 0 4 -2 306.16 10.05 0 4 -2 319.98 10.94 0 4 -1 2.73 1.12 0 4 -1 3.21 1.37 0 4 0 96.14 6.18 0 4 0 113.16 6.33 0 4 1 493.62 13.60 0 4 2 33.07 3.75 0 4 3 1649.25 25.95 0 4 4 21.61 3.34 0 4 5 2.98 1.71 0 4 6 369.12 14.00 0 4 7 662.91 19.55 0 4 8 60.95 6.28 0 4 9 55.91 6.36 0 4 10 17.61 4.09 0 -4 -10 18.18 3.88 0 -4 -11 19.51 4.24 0 4 11 17.01 4.01 0 -4 -12 480.66 19.94 0 4 12 483.42 20.37 0 -4 -13 217.56 13.82 0 4 13 224.57 14.46 0 -4 -14 156.27 12.15 0 4 14 175.23 13.58 0 4 15 14.58 4.47 0 4 16 13.92 4.12 0 4 17 -0.04 3.21 0 4 18 5.70 4.14 0 5 -17 0.61 3.45 0 5 -16 375.89 26.07 0 5 -15 4.57 3.63 0 5 -14 72.04 10.82 0 -5 14 60.16 8.19 0 -5 13 7.79 3.23 0 5 -13 12.41 4.59 0 5 -12 78.33 10.50 0 -5 12 80.00 8.48 0 5 -11 49.48 8.22 0 -5 11 51.94 6.59 0 5 -10 5.93 3.04 0 -5 10 2.84 1.92 0 5 -9 561.50 24.14 0 -5 9 561.49 22.82 0 -5 8 -2.29 2.17 0 -5 8 -1.83 2.41 0 5 -8 1.32 1.77 0 5 -7 928.28 27.59 0 5 -7 964.29 23.31 0 -5 7 936.77 25.95 0 5 -6 146.00 10.52 0 -5 6 150.15 9.91 0 5 -6 168.16 9.44 0 5 -5 5.28 1.84 0 -5 5 2.31 1.27 0 5 -5 6.19 2.05 0 5 -4 171.46 9.69 0 -5 4 180.23 10.33 0 5 -4 167.79 8.47 0 5 -3 89.78 6.14 0 -5 3 85.78 6.98 0 5 -3 79.13 6.12 0 5 -2 589.67 15.68 0 5 -2 581.64 15.73 0 5 -1 38.05 3.91 0 5 -1 30.08 3.59 0 5 0 1536.82 26.47 0 5 0 1616.28 24.24 0 5 1 227.32 9.24 0 5 1 209.58 10.00 0 5 2 905.67 21.01 0 5 3 402.12 14.37 0 5 4 639.67 18.58 0 5 5 21.15 3.38 0 5 6 0.61 1.08 0 5 7 544.60 18.99 0 5 8 179.14 11.27 0 5 9 120.01 9.35 0 5 10 30.31 5.04 0 5 11 1174.49 31.89 0 5 12 0.24 1.66 0 5 13 -0.47 2.31 0 5 14 80.05 9.46 0 5 15 -3.62 3.03 0 5 16 60.25 8.74 0 5 17 -0.38 2.79 0 5 18 231.57 18.18 0 6 -17 184.49 19.70 0 6 -16 53.61 10.43 0 6 -15 21.92 6.93 0 6 -14 35.81 7.89 0 -6 13 111.36 10.51 0 6 -13 115.11 13.40 0 6 -12 323.45 21.40 0 -6 12 344.91 17.99 0 -6 11 118.63 11.12 0 6 -11 98.60 11.29 0 -6 10 595.88 26.33 0 6 -10 642.77 27.39 0 6 -9 193.35 14.72 0 -6 9 186.31 13.55 0 6 -8 172.41 12.88 0 -6 8 208.00 13.58 0 -6 8 187.41 12.94 0 6 -8 192.15 11.56 0 -6 7 97.36 8.99 0 6 -7 94.33 9.20 0 6 -7 107.48 8.37 0 6 -6 193.55 10.83 0 -6 6 187.70 12.04 0 6 -6 170.16 11.49 0 -6 5 234.50 13.03 0 6 -5 241.45 11.41 0 6 -5 228.28 12.69 0 6 -4 1.00 1.10 0 -6 4 3.61 2.17 0 6 -4 0.72 1.25 0 6 -3 884.85 20.98 0 -6 3 880.34 24.21 0 6 -3 861.72 21.40 0 6 -2 6.73 2.11 0 6 -2 6.99 1.93 0 6 -1 428.67 14.19 0 6 -1 443.64 15.44 0 6 0 151.44 8.12 0 6 0 150.95 9.01 0 6 1 1219.98 24.69 0 6 1 1267.42 26.88 0 6 2 167.39 10.18 0 6 3 239.16 12.36 0 6 4 575.51 19.45 0 6 5 107.32 8.62 0 6 6 839.11 24.45 0 6 7 2.82 1.76 0 6 8 946.72 27.65 0 6 9 5.94 2.36 0 6 10 632.19 23.81 0 6 11 321.80 17.57 0 6 12 1.05 1.83 0 6 13 15.24 4.51 0 6 14 -0.69 2.91 0 6 15 477.38 24.42 0 6 16 -4.89 3.78 0 6 17 221.22 17.72 0 7 -16 -0.38 3.70 0 7 -15 24.29 7.20 0 7 -14 1.85 3.02 0 7 -13 415.62 25.66 0 7 -12 40.55 8.24 0 -7 12 49.64 7.65 0 -7 11 -3.80 4.59 0 7 -11 8.24 3.96 0 7 -10 61.77 9.10 0 -7 10 66.51 8.76 0 7 -9 13.30 4.48 0 -7 9 6.49 3.12 0 -7 9 12.77 4.47 0 7 -8 2.67 1.75 0 7 -8 3.78 2.64 0 -7 8 0.31 2.52 0 7 -7 152.76 11.97 0 7 -7 181.83 11.60 0 -7 7 166.39 12.46 0 -7 6 665.96 24.08 0 7 -6 691.64 21.32 0 7 -6 618.53 22.60 0 -7 5 50.43 6.58 0 7 -5 50.56 6.47 0 7 -5 48.33 5.48 0 7 -4 488.87 17.90 0 7 -4 516.17 17.62 0 -7 4 522.34 20.44 0 7 -3 110.15 8.11 0 7 -3 111.33 8.10 0 -7 3 111.18 9.44 0 7 -2 410.03 15.25 0 7 -2 399.72 15.67 0 7 -1 2.67 1.80 0 7 -1 1.62 1.46 0 7 0 147.95 9.85 0 7 0 145.20 8.37 0 7 1 658.45 21.17 0 7 1 548.60 18.77 0 7 2 308.27 14.89 0 7 2 307.83 12.99 0 7 3 129.91 10.11 0 7 4 112.55 9.53 0 7 5 1163.65 30.71 0 7 6 8.72 2.67 0 7 7 76.45 8.45 0 7 8 248.31 15.17 0 7 9 41.23 6.46 0 7 10 313.41 17.80 0 7 11 10.35 4.08 0 7 12 186.49 14.91 0 7 13 2.53 2.25 0 7 14 373.36 22.04 0 7 15 114.79 12.58 0 7 16 9.88 5.01 0 8 -15 -8.14 5.39 0 8 -14 10.43 5.27 0 8 -13 47.10 9.80 0 8 -12 12.73 4.92 0 8 -11 41.14 8.01 0 -8 11 32.23 6.26 0 -8 10 3.96 2.77 0 8 -10 -1.15 2.72 0 -8 9 132.63 12.57 0 8 -9 133.60 11.19 0 8 -9 115.58 12.09 0 -8 8 224.08 15.60 0 8 -8 255.36 14.89 0 8 -8 209.00 15.33 0 8 -7 47.83 7.14 0 -8 7 48.82 7.33 0 8 -7 55.39 6.85 0 8 -6 149.66 11.67 0 8 -6 155.55 10.91 0 -8 6 153.51 12.46 0 -8 5 253.53 15.43 0 8 -5 264.58 14.90 0 8 -5 255.88 13.32 0 8 -4 15.69 3.35 0 8 -4 16.50 3.73 0 -8 4 19.76 4.71 0 8 -3 52.81 6.07 0 -8 3 53.26 6.94 0 8 -3 52.97 6.00 0 8 -2 204.74 12.10 0 8 -2 207.00 11.48 0 8 -1 170.61 10.32 0 8 -1 185.72 12.69 0 8 0 222.38 11.57 0 8 0 219.93 13.13 0 8 1 96.38 7.48 0 8 1 85.23 8.22 0 8 2 387.84 16.92 0 8 2 370.12 17.74 0 8 3 45.59 5.51 0 8 3 42.25 6.37 0 8 4 164.94 12.69 0 8 5 375.67 19.00 0 8 6 94.21 9.83 0 8 7 231.21 15.36 0 8 8 255.27 16.60 0 8 9 255.88 16.89 0 8 10 3.92 2.20 0 8 11 43.18 7.49 0 8 12 46.64 8.15 0 8 13 109.35 12.27 0 8 14 122.31 13.21 0 8 15 36.29 7.63 0 8 16 60.53 10.07 0 9 -14 13.07 5.69 0 9 -13 102.95 13.55 0 9 -12 6.44 3.56 0 9 -11 -6.16 4.57 0 -9 10 0.11 3.79 0 -9 10 -1.54 2.95 0 9 -10 0.82 2.96 0 9 -9 3.77 2.60 0 9 -9 3.22 2.85 0 9 -8 0.20 2.12 0 -9 8 1.04 2.58 0 9 -8 -0.35 2.24 0 9 -7 13.58 4.07 0 9 -7 12.95 3.86 0 -9 7 8.32 3.19 0 9 -6 -0.68 2.30 0 -9 6 -0.73 2.54 0 9 -6 -2.84 2.58 0 9 -5 167.17 11.54 0 -9 5 172.06 13.40 0 9 -5 168.41 12.58 0 -9 4 265.44 16.72 0 9 -4 255.77 14.19 0 9 -4 247.57 14.22 0 9 -3 105.42 8.92 0 9 -3 101.70 9.12 0 -9 3 111.70 10.96 0 9 -2 0.65 1.85 0 -9 2 2.81 2.13 0 9 -2 -0.63 2.22 0 9 -1 99.57 9.70 0 9 -1 90.32 7.90 0 9 0 26.52 5.03 0 9 0 27.13 4.38 0 9 1 43.44 6.54 0 9 1 48.95 5.56 0 9 2 85.50 7.78 0 9 2 86.80 9.47 0 9 3 -0.28 2.49 0 9 3 4.52 2.46 0 9 4 154.78 10.76 0 9 4 142.72 12.40 0 9 5 155.03 13.37 0 9 6 51.32 7.96 0 9 7 0.32 2.18 0 9 8 17.79 4.87 0 9 9 13.00 4.59 0 9 10 1.85 2.42 0 9 11 57.05 8.95 0 9 12 12.27 4.01 0 9 13 207.58 17.57 0 9 14 78.54 11.57 0 9 15 6.87 3.88 0 10 -13 7.04 4.69 0 10 -12 -0.42 3.26 0 10 -11 4.61 3.51 0 -10 10 2.76 3.23 0 10 -10 1.97 3.40 0 -10 9 25.23 6.45 0 10 -9 22.05 5.62 0 10 -9 20.23 5.73 0 -10 8 -0.36 3.12 0 10 -8 0.01 2.39 0 10 -8 -1.01 2.54 0 10 -7 62.85 8.63 0 10 -7 66.93 8.24 0 -10 7 68.01 9.56 0 10 -6 5.79 2.86 0 -10 6 4.37 3.13 0 10 -6 0.34 2.43 0 10 -5 278.55 16.69 0 -10 5 263.59 17.55 0 10 -5 265.75 15.54 0 -10 4 4.47 3.23 0 10 -4 -0.75 2.28 0 10 -4 1.88 2.09 0 10 -3 18.90 4.38 0 10 -3 18.88 4.20 0 -10 3 15.92 4.75 0 10 -2 38.37 5.50 0 10 -2 47.78 6.88 0 -10 2 44.78 7.48 0 10 -1 162.65 12.99 0 10 -1 151.19 10.57 0 10 0 6.04 3.25 0 10 0 9.53 2.95 0 10 1 34.54 6.13 0 10 1 39.43 5.40 0 10 2 410.88 21.21 0 10 2 442.85 17.76 0 10 3 -0.89 2.50 0 10 3 2.09 2.69 0 10 4 170.58 14.77 0 10 4 163.84 12.74 0 10 5 18.54 5.34 0 10 5 30.27 5.53 0 10 6 34.98 7.29 0 10 7 5.37 3.37 0 10 8 3.68 2.46 0 10 9 100.21 12.00 0 10 10 63.96 10.05 0 10 11 171.22 16.58 0 10 12 2.25 2.89 0 10 13 67.47 10.81 0 11 -11 -14.27 6.41 0 -11 10 101.31 13.36 0 11 -10 82.44 11.81 0 -11 9 42.81 8.42 0 11 -9 40.22 7.93 0 11 -8 88.00 11.16 0 -11 8 94.79 11.95 0 11 -7 4.66 3.45 0 11 -7 -3.31 3.26 0 -11 7 3.61 2.85 0 11 -6 53.34 7.93 0 11 -6 44.94 7.11 0 -11 6 59.77 9.17 0 11 -5 153.82 12.53 0 11 -5 146.37 12.37 0 -11 5 149.57 14.20 0 11 -4 22.56 5.19 0 -11 4 12.04 4.18 0 11 -4 10.07 3.74 0 11 -3 99.38 10.38 0 -11 3 102.05 11.56 0 11 -3 91.42 9.08 0 -11 2 126.47 12.77 0 11 -2 109.64 9.75 0 11 -2 112.76 11.18 0 11 -1 334.38 19.62 0 -11 1 349.24 20.66 0 11 0 11.06 4.39 0 11 1 67.10 9.58 0 11 2 125.54 12.95 0 11 3 12.43 4.62 0 11 4 80.61 10.98 0 11 5 20.64 5.78 0 11 6 39.88 7.97 0 11 7 12.09 5.18 0 11 8 474.91 27.73 0 11 9 27.99 7.33 0 11 10 -0.75 3.21 0 11 11 23.86 6.68 0 11 12 117.96 14.92 0 -12 9 42.27 9.01 0 -12 8 83.35 12.08 0 -12 7 15.85 5.83 0 -12 6 103.28 12.56 0 12 -6 -5.70 3.58 0 12 -5 -12.89 5.03 0 -12 5 -0.01 2.86 0 12 -4 3.89 2.51 0 -12 4 34.71 7.21 0 -12 3 14.87 4.70 0 12 -3 26.72 6.30 0 -12 2 494.68 26.44 0 12 -2 451.30 23.47 0 12 -1 72.44 9.67 0 -12 1 87.18 11.19 0 -12 0 17.03 5.24 0 12 0 21.32 5.91 0 12 1 297.01 21.91 0 12 2 83.95 11.64 0 12 3 20.28 5.95 0 12 4 2.67 3.10 0 12 5 531.54 29.82 0 12 6 10.50 5.12 0 12 7 103.06 13.71 0 12 8 156.27 17.05 0 12 9 2.34 3.37 0 12 10 19.45 6.67 0 -13 6 -7.40 4.83 0 -13 5 134.26 14.92 0 -13 4 50.22 8.84 0 13 -4 0.69 2.68 0 -13 3 6.48 4.38 0 13 -3 -0.48 2.47 0 13 -2 11.10 3.79 0 -13 2 154.21 15.60 0 -13 1 23.14 6.69 0 13 -1 25.13 6.97 0 13 0 11.53 4.91 0 -13 0 19.43 6.25 0 -13 -1 12.41 5.24 0 13 1 9.61 5.05 0 13 2 102.45 13.81 0 13 3 4.27 3.81 0 13 4 102.15 14.29 0 13 5 183.17 18.36 0 13 6 86.94 13.58 0 13 7 95.25 14.25 -1 13 6 5.08 4.28 -1 13 5 36.45 8.83 -1 13 4 118.77 15.81 -1 13 3 0.24 5.06 -1 13 2 6.91 3.87 -1 13 1 107.83 14.09 -1 13 0 11.21 4.57 -1 13 -1 8.00 4.53 -1 13 -2 12.50 5.11 1 -13 2 15.89 6.36 1 -13 3 44.38 8.86 -1 13 -3 46.26 8.75 -1 13 -4 10.86 4.82 1 -13 4 0.99 3.60 -1 13 -5 -10.48 5.47 1 -13 5 -1.79 3.26 -1 12 9 18.48 7.39 -1 12 8 -11.97 5.97 -1 12 7 -0.34 3.26 -1 12 6 10.09 5.29 -1 12 5 18.90 6.13 -1 12 4 166.52 16.78 -1 12 3 53.45 9.86 -1 12 2 -5.75 4.69 -1 12 1 140.58 14.94 -1 12 0 28.40 6.61 -1 12 -1 27.38 6.67 -1 12 -2 7.70 4.04 1 -12 3 9.49 4.52 -1 12 -3 9.55 4.05 1 -12 4 41.90 8.57 -1 12 -4 39.13 7.73 -1 12 -5 79.33 10.08 1 -12 5 94.70 11.99 1 -12 6 -3.18 3.26 -1 12 -6 6.98 4.61 -1 12 -7 13.58 5.61 1 -12 7 6.10 4.07 1 -12 8 55.36 9.79 -1 11 11 54.12 10.22 -1 11 10 33.01 7.98 -1 11 9 3.55 2.75 -1 11 8 100.57 12.92 -1 11 7 4.02 3.30 -1 11 6 163.52 16.13 -1 11 5 10.21 4.50 -1 11 4 40.75 7.95 -1 11 3 19.04 5.86 -1 11 2 113.12 13.23 -1 11 1 3.07 2.87 -1 11 0 9.59 3.98 -1 11 -1 52.23 8.26 -1 11 -2 21.73 5.26 -1 11 -3 87.51 10.35 -1 11 -4 39.13 7.16 1 -11 4 39.99 7.51 1 -11 5 38.02 7.38 -1 11 -5 28.51 5.91 1 -11 6 20.76 5.77 -1 11 -6 39.88 7.18 1 -11 7 25.45 6.35 -1 11 -7 20.83 5.69 -1 11 -8 -2.05 2.87 1 -11 8 -5.01 4.26 -1 11 -9 -5.65 5.11 1 -11 9 1.27 4.11 1 -11 10 24.15 6.99 1 -11 11 30.59 8.04 -1 10 13 81.10 12.39 -1 10 12 47.17 9.30 -1 10 11 44.69 8.44 -1 10 10 21.85 6.64 -1 10 9 203.13 17.60 -1 10 8 3.18 2.99 -1 10 7 304.68 20.61 -1 10 6 41.10 7.75 -1 10 5 38.82 7.74 -1 10 4 221.89 16.83 -1 10 3 230.79 17.23 -1 10 2 97.70 11.08 -1 10 1 86.96 10.89 -1 10 0 147.88 13.30 -1 10 -1 1.79 2.35 -1 10 -2 250.12 16.45 -1 10 -3 23.81 5.51 -1 10 -4 14.97 4.42 -1 10 -4 11.86 2.97 1 -10 4 12.61 4.63 -1 10 -5 17.21 4.44 -1 10 -5 17.95 4.29 1 -10 5 21.48 5.75 -1 10 -6 66.97 8.33 -1 10 -6 80.08 9.56 1 -10 6 71.65 9.74 -1 10 -7 157.75 13.11 -1 10 -7 172.30 13.95 1 -10 7 177.01 15.06 1 -10 8 120.60 12.97 -1 10 -8 112.18 11.62 -1 10 -8 119.28 12.37 -1 10 -9 100.37 11.38 -1 10 -9 106.46 11.91 1 -10 9 103.28 12.07 1 -10 10 -2.59 3.13 -1 10 -10 -0.83 3.39 -1 10 -10 -0.11 2.78 1 -10 11 34.48 7.77 -1 10 -11 30.04 6.78 -1 10 -12 2.69 3.10 -1 9 14 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4 149.51 12.62 4 10 5 23.56 5.21 4 10 6 113.12 11.65 4 10 7 0.46 2.80 4 10 8 201.92 16.27 4 10 9 17.62 6.04 4 10 10 95.51 12.25 4 10 11 51.35 9.23 4 10 12 79.43 11.79 4 10 13 39.49 8.50 4 11 -10 22.07 7.18 4 11 -9 3.45 4.02 4 11 -8 281.99 22.68 4 11 -7 4.65 3.62 4 11 -6 76.37 11.76 4 11 -5 33.75 7.89 4 11 -4 148.34 15.84 4 11 -3 7.87 4.44 4 11 -2 60.85 9.95 4 11 -1 121.95 13.70 4 11 0 1.44 2.32 4 11 0 42.08 8.33 4 11 1 -2.46 2.51 4 11 1 176.45 19.38 4 11 2 -6.18 3.89 4 11 2 4.65 4.08 4 11 3 243.38 16.63 4 11 3 236.32 20.13 4 11 4 8.70 3.50 4 11 4 10.60 4.33 4 11 5 84.66 11.81 4 11 5 71.44 9.63 4 11 6 41.86 7.94 4 11 7 205.83 17.11 4 11 8 122.75 13.70 4 11 9 0.02 3.83 4 11 10 128.94 14.30 4 11 11 21.44 6.83 4 11 12 106.61 14.21 4 12 -8 8.19 5.23 4 12 -7 -4.10 3.88 4 12 -6 1.94 3.47 4 12 -5 10.28 4.58 4 12 -4 34.85 8.18 4 12 -3 73.13 11.43 4 12 -2 161.63 16.79 4 12 -1 2.27 2.79 4 12 0 55.98 9.73 4 12 1 -2.01 2.55 4 12 1 4.05 3.66 4 12 2 0.12 2.07 4 12 2 105.91 15.56 4 12 3 40.53 7.64 4 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25.44 6 4 15 13.57 6.82 6 4 16 8.40 5.43 6 5 -13 43.83 9.12 6 5 -12 15.00 5.87 6 5 -11 5.11 4.59 6 5 -10 89.57 12.38 6 5 -9 324.79 22.33 6 5 -8 7.98 3.93 6 5 -7 190.99 16.50 6 5 -6 7.56 3.80 6 5 -5 13.78 4.62 6 5 -4 98.96 11.22 6 5 -3 47.22 8.00 6 5 -2 55.31 8.81 6 5 -1 19.16 6.13 6 5 -1 17.28 4.05 6 5 0 857.01 22.08 6 5 0 867.75 36.04 6 5 1 40.63 8.19 6 5 1 37.58 4.90 6 5 2 111.24 9.16 6 5 3 7.43 1.83 6 5 4 323.94 16.96 6 5 5 2.93 2.39 6 5 6 -0.54 2.32 6 5 7 61.79 8.63 6 5 8 46.06 7.76 6 5 9 393.71 22.65 6 5 10 17.19 4.95 6 5 11 143.56 14.78 6 5 12 5.70 3.20 6 5 13 31.05 7.99 6 5 14 114.16 14.03 6 5 15 -0.40 3.84 6 6 -13 11.47 5.62 6 6 -12 21.22 7.75 6 6 -11 -0.11 2.69 6 6 -10 283.67 22.23 6 6 -9 1.23 2.47 6 6 -8 2.38 2.38 6 6 -7 50.68 8.77 6 6 -6 2.36 2.80 6 6 -5 15.62 5.41 6 6 -4 6.62 3.14 6 6 -3 127.61 13.55 6 6 -2 49.84 8.52 6 6 -1 344.93 25.07 6 6 0 28.59 7.06 6 6 0 25.03 3.87 6 6 1 -0.12 2.75 6 6 1 -3.97 2.88 6 6 2 5.13 3.72 6 6 2 6.05 2.71 6 6 3 -2.33 2.27 6 6 4 204.44 13.23 6 6 5 13.92 3.71 6 6 6 279.33 16.84 6 6 7 8.75 3.14 6 6 8 562.70 26.14 6 6 9 26.53 5.55 6 6 10 4.52 3.04 6 6 11 3.84 2.75 6 6 12 25.15 6.88 6 6 13 317.45 22.97 6 6 14 33.72 7.51 6 6 15 117.07 15.24 6 7 -12 1.42 4.15 6 7 -11 3.08 3.44 6 7 -10 -0.67 4.28 6 7 -9 53.66 9.75 6 7 -8 26.10 6.89 6 7 -7 16.85 5.67 6 7 -6 132.61 14.76 6 7 -5 25.30 6.64 6 7 -4 42.77 8.22 6 7 -3 3.66 2.28 6 7 -2 203.05 17.71 6 7 -1 55.18 10.85 6 7 0 66.26 5.93 6 7 0 74.99 11.99 6 7 1 53.55 5.96 6 7 1 60.20 10.39 6 7 2 0.26 2.11 6 7 2 2.06 2.31 6 7 3 154.38 10.98 6 7 4 157.89 11.61 6 7 5 64.03 7.97 6 7 6 49.40 7.40 6 7 7 22.88 5.06 6 7 8 82.51 10.13 6 7 9 2.37 2.94 6 7 10 14.04 4.62 6 7 11 189.42 17.05 6 7 12 170.36 16.51 6 7 13 10.25 4.94 6 7 14 -0.24 3.63 6 8 -11 10.43 5.69 6 8 -10 200.91 19.92 6 8 -9 0.68 3.02 6 8 -8 0.31 3.11 6 8 -7 27.05 7.34 6 8 -6 16.58 5.69 6 8 -5 0.08 2.55 6 8 -4 12.42 4.75 6 8 -3 113.58 13.27 6 8 -2 26.12 7.06 6 8 -1 143.28 16.30 6 8 0 5.50 3.52 6 8 1 27.75 7.31 6 8 1 22.45 3.97 6 8 2 291.01 22.09 6 8 2 266.64 13.99 6 8 3 127.83 14.76 6 8 3 117.57 9.80 6 8 4 110.91 10.09 6 8 5 5.47 2.58 6 8 6 101.25 10.33 6 8 7 24.96 5.34 6 8 8 134.36 13.02 6 8 9 61.47 9.41 6 8 10 8.83 3.84 6 8 11 4.12 3.70 6 8 12 35.13 8.52 6 8 13 9.48 5.86 6 9 -10 20.67 7.16 6 9 -9 3.44 4.10 6 9 -8 -0.71 4.04 6 9 -7 1.66 2.68 6 9 -6 306.46 23.65 6 9 -5 -1.32 3.19 6 9 -4 46.92 9.25 6 9 -3 -0.64 3.57 6 9 -2 231.21 19.57 6 9 -1 4.99 4.13 6 9 0 4.53 4.43 6 9 1 118.71 15.37 6 9 2 -1.15 3.49 6 9 2 -1.66 2.03 6 9 3 111.45 14.08 6 9 3 101.50 9.74 6 9 4 -5.01 3.60 6 9 4 -5.48 4.57 6 9 5 112.24 10.83 6 9 6 11.28 3.77 6 9 7 84.06 10.21 6 9 8 76.66 10.16 6 9 9 15.09 5.27 6 9 10 -0.40 3.63 6 9 11 8.05 4.46 6 9 12 125.91 14.69 6 10 -8 2.38 3.16 6 10 -7 85.55 13.24 6 10 -6 53.41 10.25 6 10 -5 61.96 11.03 6 10 -4 12.67 5.60 6 10 -3 24.40 7.14 6 10 -2 196.29 18.76 6 10 -1 80.73 12.27 6 10 0 139.15 17.26 6 10 1 96.81 14.41 6 10 2 295.01 24.06 6 10 3 4.70 2.87 6 10 3 0.31 3.50 6 10 4 151.63 17.05 6 10 4 130.88 11.67 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7 -1 6.61 4.67 -7 7 -2 0.62 2.98 -7 7 -3 45.36 10.03 -7 7 -4 16.07 6.05 -7 7 -5 69.31 12.32 -7 7 -6 16.33 6.37 -7 7 -7 7.59 4.41 -7 6 8 68.25 11.48 -7 6 7 6.08 3.42 -7 6 6 55.01 10.00 -7 6 5 76.34 11.47 -7 6 4 123.63 14.48 -7 6 3 -0.41 2.40 -7 6 2 27.73 6.93 -7 6 1 39.19 8.12 -7 6 0 13.25 4.68 -7 6 -1 7.62 3.96 -7 6 -2 12.11 5.22 -7 6 -3 210.36 19.67 -7 6 -4 66.99 11.56 -7 6 -5 17.58 6.23 -7 6 -6 30.83 7.85 -7 6 -7 105.54 14.82 -7 6 -8 0.21 3.73 7 -6 9 -4.47 6.32 -7 5 9 26.26 6.42 7 -5 -9 26.89 8.35 -7 5 8 2.23 4.10 7 -5 -8 1.37 4.01 -7 5 7 264.28 20.32 7 -5 -7 256.34 23.73 -7 5 6 3.36 2.68 7 -5 -6 3.06 3.57 -7 5 5 2.42 2.71 -7 5 4 172.34 15.82 -7 5 3 41.76 8.10 -7 5 2 13.97 4.14 -7 5 1 7.25 3.59 -7 5 0 243.72 19.46 -7 5 -1 7.02 3.69 -7 5 -2 57.99 9.68 -7 5 -3 41.60 8.81 -7 5 -4 31.83 7.58 -7 5 -5 32.11 8.00 -7 5 -6 36.81 8.13 -7 5 -7 168.20 17.78 -7 5 -8 38.11 8.62 7 -5 8 28.76 9.95 7 -5 9 41.11 11.89 7 -5 10 39.60 11.44 7 -5 11 92.12 16.84 -7 4 10 200.64 17.57 7 -4 -10 221.66 22.81 7 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12.78 7 -1 8 3.08 4.91 7 -1 9 -7.35 5.88 7 -1 10 39.80 10.11 7 -1 11 63.15 12.06 7 -1 12 -2.50 4.53 7 -1 13 22.74 7.51 7 -1 14 50.31 10.37 7 0 -12 9.77 5.60 7 0 -11 134.91 14.67 7 0 -10 8.91 4.70 7 0 -9 159.13 15.09 7 0 -8 3.69 2.54 7 0 -7 36.30 6.57 -7 0 7 36.89 5.66 7 0 -6 15.80 5.00 -7 0 6 13.07 4.15 7 0 -5 117.37 11.04 -7 0 5 117.59 10.23 -7 0 4 -0.47 2.32 7 0 -4 -0.01 2.67 7 0 -4 -0.22 2.30 7 0 -3 251.15 20.12 7 0 -3 222.52 15.12 -7 0 3 224.77 15.12 7 0 -2 154.34 15.11 7 0 -2 154.37 12.38 -7 0 2 140.89 12.19 -7 0 1 8.48 3.30 7 0 -1 9.54 3.80 7 0 -1 9.28 4.03 7 0 0 151.79 13.92 7 0 0 129.51 14.58 -7 0 0 143.14 12.69 7 0 1 66.93 9.24 -7 0 -1 64.34 8.87 7 0 1 59.15 9.48 7 0 2 133.76 12.15 7 0 2 95.43 13.59 -7 0 -2 114.43 11.54 7 0 3 0.07 3.18 7 0 3 -3.38 3.49 7 0 4 232.36 16.06 7 0 4 239.42 20.49 7 0 5 2.05 2.61 7 0 6 -4.18 4.70 7 0 7 331.89 26.85 7 0 8 7.72 4.40 7 0 9 64.31 11.91 7 0 10 52.56 10.15 7 0 11 79.39 12.19 7 0 12 12.77 6.24 7 0 13 53.49 10.43 7 0 14 114.08 15.13 7 1 -12 108.94 14.04 7 1 -11 13.52 4.98 7 1 -10 160.44 15.92 7 1 -9 17.78 5.55 7 1 -8 8.37 3.68 7 1 -7 189.37 15.49 7 1 -6 322.78 19.88 -7 -1 6 305.05 15.44 -7 -1 5 9.15 3.20 7 1 -5 11.96 4.42 -7 -1 4 -1.29 2.44 7 1 -4 0.09 2.69 7 1 -3 547.52 24.37 -7 -1 3 553.85 22.41 -7 -1 2 16.84 4.57 7 1 -2 17.96 4.96 7 1 -1 46.66 9.12 -7 -1 1 63.56 7.91 -7 -1 0 9.56 3.84 7 1 0 6.43 3.96 7 1 0 9.85 4.72 7 1 0 17.04 5.59 7 1 1 274.94 20.30 7 1 1 307.06 19.39 7 1 1 318.70 21.65 7 1 2 78.65 9.48 7 1 2 93.36 11.88 7 1 3 5.97 3.90 7 1 3 8.69 3.27 7 1 4 587.55 31.44 7 1 4 530.17 22.80 7 1 5 21.17 6.56 7 1 5 18.50 4.38 7 1 6 274.16 23.10 7 1 7 2.57 2.69 7 1 8 267.42 21.73 7 1 9 60.40 10.19 7 1 10 6.60 4.40 7 1 11 212.43 19.32 7 1 12 11.69 5.24 7 1 13 169.69 18.18 7 1 14 11.16 5.67 7 2 -12 15.32 6.34 7 2 -11 3.96 3.56 7 2 -10 38.06 8.18 7 2 -9 -2.26 3.44 7 2 -8 106.72 12.16 7 2 -7 8.92 3.77 7 2 -6 425.47 23.31 7 2 -5 117.65 12.51 7 2 -4 122.75 12.57 -7 -2 4 120.57 9.86 7 2 -3 56.25 8.10 7 2 -3 53.34 7.61 7 2 -2 121.77 12.57 7 2 -2 148.00 13.16 7 2 -1 34.70 6.87 7 2 -1 48.28 10.09 7 2 0 27.24 6.50 7 2 0 30.46 7.69 7 2 1 986.78 37.92 7 2 1 1012.10 37.13 7 2 2 10.55 4.01 7 2 2 14.55 4.74 7 2 3 150.87 12.91 7 2 3 151.20 16.20 7 2 4 17.02 4.36 7 2 4 14.19 4.77 7 2 5 94.75 8.83 7 2 5 104.18 12.61 7 2 6 19.09 4.20 7 2 6 18.09 4.97 7 2 7 195.77 17.51 7 2 8 141.54 15.00 7 2 9 18.40 5.51 7 2 10 278.04 21.85 7 2 11 24.43 6.77 7 2 12 176.54 18.36 7 2 13 71.05 12.50 7 2 14 23.72 6.99 7 2 15 45.77 10.05 7 3 -12 6.61 4.42 7 3 -11 14.46 5.81 7 3 -10 -1.73 3.05 7 3 -9 186.62 17.34 7 3 -8 143.05 14.83 7 3 -7 20.97 5.87 7 3 -6 1.25 2.63 7 3 -5 1.57 3.15 7 3 -4 65.26 10.04 7 3 -3 -5.95 3.89 7 3 -3 -1.18 3.01 7 3 -2 179.76 14.26 7 3 -2 186.90 16.01 7 3 -1 88.29 10.71 7 3 -1 77.28 12.27 7 3 0 362.35 20.74 7 3 0 330.67 23.51 7 3 1 3.08 2.52 7 3 1 3.28 3.24 7 3 2 21.97 6.60 7 3 2 18.25 4.77 7 3 3 5.75 3.44 7 3 4 40.36 6.82 7 3 4 45.26 7.12 7 3 5 138.22 10.93 7 3 5 121.89 12.85 7 3 6 26.60 4.71 7 3 6 26.63 5.87 7 3 7 154.33 14.97 7 3 8 30.76 7.15 7 3 9 326.73 22.40 7 3 10 12.05 4.79 7 3 11 46.23 9.34 7 3 12 1.28 3.71 7 3 13 7.32 4.94 7 3 14 130.11 16.00 7 4 -12 37.72 9.12 7 4 -11 49.25 10.23 7 4 -10 46.21 9.44 7 4 -9 3.10 3.07 7 4 -8 30.29 7.26 7 4 -7 2.07 3.30 7 4 -6 31.04 7.29 7 4 -5 86.22 11.42 7 4 -4 43.89 8.24 7 4 -3 95.88 11.73 7 4 -2 92.37 11.62 7 4 -1 50.00 10.32 7 4 -1 46.32 5.97 7 4 0 10.45 5.30 7 4 0 4.66 2.03 7 4 1 80.33 8.09 7 4 1 89.42 12.24 7 4 2 0.77 2.56 7 4 2 1.86 2.19 7 4 3 52.87 7.32 7 4 4 187.85 14.37 7 4 5 3.43 2.43 7 4 6 181.93 15.25 7 4 7 40.90 8.69 7 4 8 51.77 8.94 7 4 9 4.25 3.62 7 4 10 -0.11 2.74 7 4 11 -2.22 3.74 7 4 12 4.26 4.51 7 4 13 415.63 27.87 7 4 14 -3.64 4.84 7 5 -11 24.87 6.97 7 5 -10 5.64 3.97 7 5 -9 116.44 14.26 7 5 -8 1.84 3.31 7 5 -7 1.10 2.52 7 5 -6 63.05 10.61 7 5 -5 51.00 9.00 7 5 -4 4.57 3.00 7 5 -3 98.45 12.43 7 5 -2 94.04 12.23 7 5 -1 33.86 8.71 7 5 0 143.88 10.21 7 5 0 138.18 16.61 7 5 1 5.56 3.77 7 5 1 1.42 2.01 7 5 2 105.71 13.92 7 5 2 103.72 9.70 7 5 3 212.33 14.30 7 5 4 3.65 2.78 7 5 5 115.92 11.35 7 5 6 8.56 3.61 7 5 7 61.72 9.27 7 5 8 2.90 3.59 7 5 9 50.68 8.97 7 5 10 113.05 13.53 7 5 11 107.65 13.21 7 5 12 70.26 10.79 7 5 13 11.91 5.72 7 5 14 2.84 3.53 7 6 -11 0.57 3.26 7 6 -10 80.10 12.99 7 6 -9 1.88 3.40 7 6 -8 18.68 6.11 7 6 -7 3.19 3.73 7 6 -6 46.04 9.18 7 6 -5 162.62 16.92 7 6 -4 12.12 4.61 7 6 -3 375.26 24.73 7 6 -2 2.33 3.29 7 6 -1 76.04 13.05 7 6 0 22.11 6.81 7 6 1 235.51 12.84 7 6 1 257.29 21.71 7 6 2 0.20 3.01 7 6 2 -0.40 2.60 7 6 3 17.58 4.05 7 6 4 549.16 23.19 7 6 5 79.53 9.55 7 6 6 25.61 5.76 7 6 7 5.82 3.09 7 6 8 249.48 18.59 7 6 9 9.77 4.38 7 6 10 10.28 4.38 7 6 11 -5.14 4.54 7 6 12 20.69 6.70 7 6 13 87.96 12.61 7 7 -10 8.55 4.79 7 7 -9 30.95 8.60 7 7 -8 74.67 12.11 7 7 -7 20.25 6.70 7 7 -6 209.23 19.91 7 7 -5 51.65 9.71 7 7 -4 24.86 6.64 7 7 -3 4.75 4.01 7 7 -2 156.88 16.50 7 7 -1 13.50 5.56 7 7 0 3.92 3.51 7 7 1 132.14 9.73 7 7 1 157.12 17.35 7 7 2 36.51 8.37 7 7 2 32.03 5.67 7 7 3 148.41 16.93 7 7 3 134.83 10.68 7 7 4 25.04 5.52 7 7 5 135.86 12.04 7 7 6 0.90 2.85 7 7 7 40.42 6.83 7 7 8 147.08 13.74 7 7 9 0.94 3.36 7 7 10 29.50 6.86 7 7 11 4.31 3.01 7 7 12 330.86 23.96 7 7 13 -5.07 4.56 7 8 -9 215.24 21.57 7 8 -8 3.48 3.32 7 8 -7 10.58 4.96 7 8 -6 31.78 8.44 7 8 -5 14.74 5.97 7 8 -4 29.80 7.70 7 8 -3 3.06 3.24 7 8 -2 280.20 22.47 7 8 -1 2.67 3.13 7 8 0 19.54 7.55 7 8 1 3.47 3.39 7 8 2 278.10 14.99 7 8 2 307.41 24.91 7 8 3 8.44 4.74 7 8 3 9.43 3.46 7 8 4 20.06 4.25 7 8 4 26.73 7.58 7 8 5 19.19 5.01 7 8 6 7.38 3.42 7 8 7 92.01 10.87 7 8 8 24.51 6.14 7 8 9 172.24 15.61 7 8 10 26.96 6.64 7 8 11 188.31 17.42 7 8 12 43.85 8.83 7 9 -8 16.97 6.87 7 9 -7 -4.50 4.60 7 9 -6 2.76 3.21 7 9 -5 17.18 5.75 7 9 -4 2.93 3.94 7 9 -3 94.62 13.11 7 9 -2 -6.28 4.54 7 9 -1 23.79 7.12 7 9 0 2.93 4.35 7 9 1 22.72 7.84 7 9 2 19.87 6.73 7 9 3 28.44 7.62 7 9 4 37.84 6.50 7 9 4 43.66 10.14 7 9 5 4.28 3.36 7 9 6 200.23 15.32 7 9 7 6.68 3.99 7 9 8 71.32 9.85 7 9 9 8.29 3.58 7 9 10 -5.07 4.56 7 10 -6 16.93 6.18 7 10 -5 3.10 3.52 7 10 -4 87.48 14.18 7 10 -3 5.60 4.04 7 10 -2 3.42 2.80 7 10 -1 -0.84 3.22 7 10 0 26.52 8.05 7 10 1 61.31 13.35 7 10 2 57.46 12.18 7 10 3 95.08 14.85 7 10 4 18.46 6.90 7 10 5 22.54 5.02 7 10 5 32.01 9.09 7 10 6 9.18 4.33 7 10 7 1.63 3.38 7 10 8 0.23 2.91 7 10 9 28.87 6.67 7 11 -4 -4.00 4.87 7 11 -3 114.01 15.60 7 11 -2 5.02 3.20 7 11 -1 37.01 9.22 7 11 0 62.51 11.59 7 11 1 14.43 7.11 7 11 2 5.84 5.12 7 11 3 14.18 7.54 7 11 4 9.55 4.96 7 11 5 -7.91 6.69 7 11 6 130.78 17.71 -8 6 3 100.44 13.63 -8 6 2 21.19 7.47 -8 6 1 -4.44 4.80 -8 6 0 12.04 5.00 -8 6 -1 9.15 4.52 -8 6 -2 11.07 5.88 -8 6 -3 15.00 5.68 -8 6 -4 78.95 13.29 -8 6 -5 11.82 5.29 -8 5 5 14.72 5.12 -8 5 4 25.36 7.22 -8 5 3 1.43 3.13 -8 5 2 -0.05 3.34 -8 5 1 0.91 2.74 -8 5 0 4.51 4.53 -8 5 -1 27.73 7.55 -8 5 -2 99.23 14.61 -8 5 -3 16.93 6.57 -8 5 -4 2.67 4.34 -8 5 -5 3.56 4.39 -8 5 -6 1.24 3.80 -8 5 -7 7.53 5.04 8 -5 7 -2.18 4.39 -8 4 7 -3.97 3.84 8 -4 -7 -2.71 5.87 -8 4 6 -3.11 4.12 8 -4 -6 2.29 4.87 -8 4 5 14.46 4.65 8 -4 -5 21.87 7.56 -8 4 4 9.74 4.69 8 -4 -4 12.57 6.44 8 -4 -3 80.68 13.40 -8 4 3 88.39 12.36 -8 4 2 0.58 2.67 -8 4 1 59.87 9.77 -8 4 0 5.97 3.59 -8 4 -1 149.42 16.52 -8 4 -2 5.72 3.76 -8 4 -3 7.89 4.81 -8 4 -4 8.21 5.24 -8 4 -5 13.12 5.68 -8 4 -6 23.78 7.57 8 -4 6 18.35 8.40 8 -4 7 8.40 7.23 8 -4 8 35.62 10.13 8 -4 9 16.80 8.35 -8 3 8 19.24 5.47 8 -3 -8 26.62 8.96 -8 3 7 24.14 6.01 8 -3 -7 23.79 7.53 8 -3 -6 163.41 19.39 -8 3 6 137.79 13.85 8 -3 -5 -0.02 3.38 -8 3 5 0.22 2.92 8 -3 -4 168.97 19.27 -8 3 4 164.15 15.27 -8 3 3 15.48 5.24 8 -3 -3 2.84 3.29 -8 3 2 69.87 9.98 8 -3 -2 66.16 11.84 -8 3 1 17.87 5.93 8 -3 -1 7.42 4.00 -8 3 0 17.16 5.76 -8 3 -1 120.65 14.12 -8 3 -2 39.40 8.56 -8 3 -3 190.94 18.07 -8 3 -4 101.74 13.51 8 -3 5 246.29 24.93 -8 3 -5 248.36 20.99 8 -3 6 10.11 6.56 8 -3 7 14.10 5.80 8 -3 8 29.41 9.41 8 -3 9 -1.41 4.96 8 -3 10 45.39 11.97 8 -2 -9 98.00 14.84 8 -2 -8 32.91 8.71 -8 2 7 26.23 5.73 8 -2 -7 42.02 9.52 8 -2 -6 107.03 14.60 -8 2 6 98.00 11.07 8 -2 -5 104.18 14.13 -8 2 5 102.36 11.74 -8 2 4 4.24 3.10 8 -2 -4 8.42 3.95 -8 2 3 21.98 5.07 8 -2 -3 33.60 8.78 8 -2 -2 212.93 20.19 -8 2 2 196.05 16.45 8 -2 -1 12.97 5.40 -8 2 1 17.93 5.44 8 -2 0 126.66 15.18 -8 2 0 116.71 13.45 -8 2 -1 1.61 2.52 8 -2 1 3.54 3.47 -8 2 -2 19.36 6.04 -8 2 -3 0.47 2.82 8 -2 4 514.16 34.38 -8 2 -4 475.57 27.71 8 -2 5 411.56 30.79 8 -2 6 0.31 3.75 8 -2 7 87.95 15.19 8 -2 8 19.43 6.56 8 -2 9 100.35 16.40 8 -2 10 16.98 9.28 8 -2 11 113.80 18.98 8 -1 -9 10.34 5.80 8 -1 -8 5.42 4.93 8 -1 -7 80.15 13.23 -8 1 6 57.75 7.84 8 -1 -6 75.86 12.75 -8 1 5 56.47 7.74 8 -1 -5 82.16 12.95 8 -1 -4 189.68 18.82 8 -1 -4 185.84 14.06 -8 1 4 182.69 14.74 8 -1 -3 204.83 19.17 8 -1 -3 194.93 14.34 -8 1 3 199.89 15.99 -8 1 2 10.90 3.56 8 -1 -2 11.25 3.77 8 -1 -2 13.19 4.65 -8 1 1 51.80 8.28 8 -1 -1 57.80 8.41 8 -1 -1 61.92 10.56 -8 1 0 10.85 4.94 8 -1 0 5.81 4.03 8 -1 0 2.65 2.50 8 -1 1 55.16 10.81 8 -1 1 72.59 11.39 -8 1 -1 82.17 11.25 -8 1 -2 66.22 9.61 8 -1 2 63.87 10.61 8 -1 2 76.06 11.10 -8 1 -3 -1.76 3.52 8 -1 3 -4.49 4.58 8 -1 3 7.15 4.08 8 -1 3 3.27 4.06 8 -1 4 230.54 21.61 8 -1 5 19.99 6.32 8 -1 6 56.76 11.52 8 -1 7 -2.63 5.91 8 -1 8 267.31 26.09 8 -1 9 9.64 5.94 8 -1 10 -0.02 4.55 8 -1 11 143.62 18.78 8 -1 12 21.75 8.03 8 0 -10 4.18 4.95 8 0 -9 6.74 4.81 8 0 -9 6.02 3.82 8 0 -8 61.88 12.31 8 0 -8 45.55 8.07 8 0 -7 74.08 13.11 8 0 -7 50.86 8.39 8 0 -6 107.67 11.66 8 0 -6 142.65 17.42 -8 0 5 51.04 7.90 8 0 -5 59.18 8.63 8 0 -5 69.99 11.93 -8 0 4 -2.31 3.95 8 0 -4 -3.37 4.02 8 0 -4 3.21 3.87 -8 0 3 19.32 4.94 8 0 -3 25.48 5.75 8 0 -3 33.66 8.04 8 0 -2 43.87 7.50 8 0 -2 48.86 9.16 -8 0 2 52.38 9.41 -8 0 1 53.79 8.63 8 0 -1 56.36 9.92 8 0 -1 61.89 9.02 -8 0 0 18.40 5.23 8 0 0 17.69 6.65 8 0 0 19.57 5.66 8 0 1 199.60 17.32 8 0 1 152.21 17.75 8 0 1 139.11 16.97 -8 0 -1 154.27 14.33 8 0 2 -3.88 4.98 8 0 2 -4.29 4.07 8 0 2 1.51 2.69 8 0 3 14.48 6.50 8 0 3 12.31 5.35 8 0 3 13.85 4.93 8 0 4 11.27 5.81 8 0 4 3.88 3.34 8 0 5 25.85 8.09 8 0 6 -6.87 6.41 8 0 7 29.27 9.61 8 0 8 156.87 19.22 8 0 9 53.83 11.72 8 0 10 113.99 16.07 8 0 11 -2.01 5.21 8 0 12 44.79 10.09 8 1 -10 18.15 5.56 8 1 -9 80.69 11.27 8 1 -8 6.58 4.09 8 1 -7 -0.69 2.68 8 1 -6 -3.95 4.18 8 1 -5 14.51 4.33 -8 -1 4 49.33 7.39 8 1 -4 56.01 8.81 -8 -1 3 18.32 4.56 8 1 -3 16.06 5.06 8 1 -3 23.89 7.10 8 1 -2 172.19 17.69 8 1 -2 147.63 13.98 8 1 -2 143.18 15.07 -8 -1 2 143.51 12.79 8 1 -1 113.69 14.06 8 1 -1 104.23 12.68 8 1 -1 101.60 13.38 8 1 0 34.26 7.50 8 1 0 18.83 7.33 8 1 0 37.52 8.04 8 1 1 13.49 5.82 8 1 1 11.19 4.63 8 1 1 10.43 5.68 8 1 2 -5.65 5.58 8 1 2 0.20 3.70 8 1 2 -0.08 2.24 8 1 3 11.73 5.00 8 1 3 14.75 4.72 8 1 4 2.41 3.85 8 1 4 -0.44 3.39 8 1 5 25.95 5.98 8 1 5 42.34 10.66 8 1 6 -3.34 6.04 8 1 7 84.11 13.52 8 1 8 56.64 10.22 8 1 9 54.00 9.59 8 1 10 -0.07 4.31 8 1 11 3.62 4.64 8 1 12 -2.60 3.90 8 2 -10 26.53 7.48 8 2 -9 -2.86 3.80 8 2 -8 -0.08 2.97 8 2 -7 15.08 4.82 8 2 -6 11.85 4.35 8 2 -5 49.29 8.86 8 2 -4 6.35 3.69 8 2 -3 11.71 4.79 8 2 -3 13.58 5.11 8 2 -2 98.43 12.18 8 2 -2 89.43 11.56 8 2 -1 15.52 5.50 8 2 -1 12.09 5.20 8 2 0 6.88 3.53 8 2 0 11.87 6.62 8 2 1 56.24 10.27 8 2 1 47.62 10.27 8 2 1 67.02 10.44 8 2 2 -4.69 3.55 8 2 2 -2.01 3.10 8 2 2 -0.44 3.84 8 2 3 71.57 9.80 8 2 3 65.83 11.19 8 2 4 37.55 6.71 8 2 4 41.19 8.92 8 2 5 126.30 14.81 8 2 5 117.24 11.73 8 2 6 4.42 4.15 8 2 7 161.94 16.55 8 2 8 59.24 10.62 8 2 9 5.58 4.98 8 2 10 -0.70 4.46 8 2 11 0.74 3.65 8 2 12 149.23 18.04 8 2 13 46.26 10.69 8 3 -10 4.94 4.79 8 3 -9 19.07 6.27 8 3 -8 0.06 3.80 8 3 -7 58.45 9.88 8 3 -6 2.32 2.52 8 3 -5 156.41 15.79 8 3 -4 29.69 7.27 8 3 -3 126.82 13.95 8 3 -2 99.56 12.90 8 3 -1 7.78 5.08 8 3 -1 5.30 3.49 8 3 0 70.40 12.99 8 3 0 79.64 10.61 8 3 1 33.79 8.74 8 3 1 33.96 6.39 8 3 2 212.88 21.00 8 3 2 243.11 18.47 8 3 3 22.14 7.29 8 3 3 37.71 7.96 8 3 3 37.24 8.09 8 3 4 147.22 13.53 8 3 4 147.20 14.52 8 3 5 164.30 13.23 8 3 5 162.00 16.01 8 3 6 40.97 8.61 8 3 7 84.14 12.05 8 3 8 -0.14 2.90 8 3 9 193.61 18.78 8 3 10 33.69 8.50 8 3 11 125.59 16.64 8 3 12 53.43 11.01 8 4 -10 9.55 5.08 8 4 -9 32.43 8.53 8 4 -8 208.91 19.84 8 4 -7 3.82 3.90 8 4 -6 14.42 4.99 8 4 -5 172.29 17.37 8 4 -4 11.16 4.90 8 4 -3 35.70 7.57 8 4 -2 9.12 4.58 8 4 -1 317.83 25.17 8 4 0 5.69 4.65 8 4 0 1.19 2.20 8 4 1 79.83 12.94 8 4 1 83.51 9.65 8 4 2 153.86 17.37 8 4 2 152.86 13.14 8 4 3 6.05 5.09 8 4 3 2.64 3.11 8 4 4 164.61 14.73 8 4 5 29.06 6.01 8 4 5 28.58 5.88 8 4 6 239.48 18.86 8 4 7 166.42 16.25 8 4 8 108.65 13.57 8 4 9 61.33 10.99 8 4 10 52.11 10.18 8 4 11 69.36 11.71 8 4 12 8.39 4.34 8 5 -9 11.08 5.78 8 5 -8 200.08 20.14 8 5 -7 29.11 8.02 8 5 -6 158.00 17.39 8 5 -5 1.73 3.41 8 5 -4 14.62 5.47 8 5 -3 117.76 14.57 8 5 -2 108.73 14.12 8 5 -1 340.54 26.58 8 5 0 16.74 6.74 8 5 1 154.44 12.57 8 5 1 159.78 18.73 8 5 2 33.38 8.59 8 5 2 30.16 4.93 8 5 3 45.12 10.56 8 5 3 41.72 6.78 8 5 4 16.45 5.00 8 5 5 313.46 20.50 8 5 6 6.98 4.47 8 5 7 7.49 4.99 8 5 8 153.80 15.64 8 5 9 113.69 14.10 8 5 10 122.05 15.23 8 5 11 62.90 11.16 8 5 12 133.09 16.02 8 6 -8 -2.48 4.73 8 6 -7 6.88 4.97 8 6 -6 1.89 3.33 8 6 -5 22.83 7.05 8 6 -4 -2.36 4.01 8 6 -3 46.27 9.96 8 6 -2 414.36 27.95 8 6 -1 20.34 6.86 8 6 0 23.80 7.42 8 6 1 -5.07 5.08 8 6 2 31.00 8.80 8 6 2 34.36 6.04 8 6 3 3.35 4.95 8 6 3 0.64 2.66 8 6 4 5.06 3.65 8 6 5 -4.91 3.88 8 6 6 5.45 4.12 8 6 7 165.31 15.47 8 6 8 16.74 4.83 8 6 9 150.90 15.72 8 6 10 32.96 8.28 8 6 11 11.49 5.67 8 7 -8 2.12 4.07 8 7 -7 10.47 6.09 8 7 -6 14.29 5.71 8 7 -5 79.03 13.13 8 7 -4 42.82 9.67 8 7 -3 57.68 10.44 8 7 -2 0.35 4.12 8 7 -1 12.27 5.27 8 7 0 6.44 5.52 8 7 1 20.40 7.45 8 7 2 136.92 17.99 8 7 3 4.02 4.52 8 7 3 -1.67 2.67 8 7 4 81.72 9.51 8 7 4 82.75 13.59 8 7 5 42.30 7.14 8 7 6 36.01 7.18 8 7 7 17.25 6.15 8 7 8 18.81 5.76 8 7 9 15.31 5.15 8 7 10 -1.37 3.63 8 8 -6 1.92 3.51 8 8 -5 66.13 12.17 8 8 -4 1.29 3.09 8 8 -3 -2.14 2.77 8 8 -2 36.89 9.23 8 8 -1 24.23 7.77 8 8 0 88.56 16.09 8 8 1 84.04 14.97 8 8 2 63.84 12.58 8 8 3 4.98 3.47 8 8 4 14.26 5.95 8 8 4 14.65 4.84 8 8 5 2.58 3.91 8 8 5 -2.96 4.08 8 8 6 -1.76 3.32 8 8 7 56.58 8.86 8 8 8 -7.22 3.87 8 8 9 74.40 10.62 8 9 -5 75.49 13.38 8 9 -4 0.56 3.22 8 9 -3 55.21 10.84 8 9 -2 0.06 3.77 8 9 -1 108.80 15.67 8 9 0 27.94 9.21 8 9 1 15.26 6.97 8 9 2 161.83 20.44 8 9 3 30.81 8.91 8 9 4 14.11 6.01 8 9 5 2.57 3.89 8 9 6 178.42 15.10 8 9 7 -0.55 3.38 8 9 8 47.99 8.80 8 10 -2 8.59 4.74 8 10 -1 18.76 7.40 8 10 0 24.69 8.00 8 10 1 27.43 10.41 8 10 2 88.12 15.99 8 10 3 62.98 13.14 8 10 4 4.91 4.22 8 10 5 48.05 11.53 -9 4 1 17.40 7.13 -9 4 0 33.89 8.35 -9 4 -1 0.67 3.47 -9 4 -2 32.85 8.74 -9 4 -3 -2.23 3.46 -9 3 3 18.17 5.57 9 -3 -3 17.83 7.09 -9 3 2 11.98 4.44 9 -3 -2 13.07 6.62 -9 3 1 47.17 9.37 -9 3 0 5.67 4.21 -9 3 -1 2.03 3.54 -9 3 -2 39.01 8.62 -9 3 -3 85.98 13.33 -9 3 -4 22.26 7.18 9 -3 4 36.81 10.60 9 -3 5 -8.53 6.12 9 -3 6 29.55 9.12 9 -2 -5 8.42 6.07 -9 2 4 -2.84 5.27 9 -2 -4 -0.11 4.15 -9 2 3 2.55 3.12 9 -2 -3 5.73 3.99 -9 2 2 33.55 7.26 9 -2 -2 52.09 11.78 -9 2 1 20.85 5.60 9 -2 -1 16.75 6.37 9 -2 0 100.54 15.36 -9 2 0 101.80 13.28 -9 2 -1 30.30 8.43 -9 2 -2 2.67 3.41 -9 2 -3 5.40 4.28 9 -2 3 7.25 5.58 9 -2 4 21.82 9.16 9 -2 5 -5.13 6.63 9 -2 6 21.06 7.55 9 -2 7 30.12 10.03 9 -1 -6 12.78 6.44 9 -1 -5 -2.06 4.79 -9 1 4 7.74 5.01 9 -1 -4 5.74 4.64 -9 1 3 67.96 10.08 9 -1 -3 76.25 12.84 -9 1 2 3.11 4.27 9 -1 -2 -0.14 3.91 9 -1 -1 237.57 22.90 -9 1 1 194.31 17.51 -9 1 0 0.81 3.27 9 -1 0 0.03 3.35 -9 1 -1 5.24 2.98 9 -1 1 -0.94 4.77 9 -1 1 7.83 4.74 9 -1 2 -3.18 4.55 9 -1 2 0.94 3.11 9 -1 3 2.69 3.81 9 -1 4 18.65 6.99 9 -1 5 17.40 7.65 9 -1 6 -10.62 7.30 9 -1 7 34.09 10.61 9 -1 8 181.77 24.17 9 0 -6 148.84 19.12 9 0 -5 4.69 3.91 9 0 -4 103.31 15.12 -9 0 3 6.48 4.04 9 0 -3 6.80 4.99 9 0 -2 137.16 16.83 9 0 -2 132.30 14.07 -9 0 2 98.55 11.34 -9 0 1 65.26 9.52 9 0 -1 72.24 12.75 9 0 -1 88.66 13.23 9 0 -1 80.68 11.30 9 0 0 -5.38 6.24 9 0 0 -3.92 3.97 9 0 0 8.81 5.45 9 0 1 30.82 8.34 9 0 1 29.48 7.90 9 0 1 16.95 7.03 9 0 2 10.82 6.03 9 0 2 6.80 5.11 9 0 2 2.36 4.68 9 0 3 174.84 18.18 9 0 3 157.58 18.92 9 0 3 128.08 16.88 9 0 4 7.93 6.12 9 0 4 2.72 3.54 9 0 5 87.86 15.19 9 0 6 12.14 6.75 9 0 7 33.60 9.75 9 0 8 23.98 8.93 9 0 9 3.18 4.18 9 1 -7 121.79 18.12 9 1 -6 -3.00 4.35 9 1 -6 -6.83 6.48 9 1 -5 124.58 17.66 9 1 -5 95.77 12.55 9 1 -4 42.85 7.95 9 1 -4 59.58 11.74 9 1 -3 -2.02 4.48 9 1 -3 -2.00 4.54 9 1 -2 137.32 16.88 9 1 -2 123.46 13.78 9 1 -2 140.26 16.02 9 1 -1 -0.73 4.05 9 1 -1 3.66 4.03 9 1 -1 -3.46 4.64 9 1 0 4.22 3.66 9 1 0 12.54 5.10 9 1 1 2.25 4.63 9 1 1 1.20 4.78 9 1 1 -3.09 3.77 9 1 2 437.48 27.67 9 1 2 380.66 28.12 9 1 2 334.71 28.64 9 1 3 7.15 5.05 9 1 3 6.53 3.57 9 1 3 1.79 3.66 9 1 4 -3.47 4.17 9 1 4 -1.17 3.02 9 1 4 5.43 6.35 9 1 5 68.84 14.33 9 1 6 31.58 8.85 9 1 7 50.22 11.28 9 1 8 -6.07 7.54 9 1 9 151.63 18.82 9 1 10 8.32 5.32 9 2 -7 2.36 3.61 9 2 -6 71.02 11.37 9 2 -5 161.24 16.58 9 2 -4 1.55 3.65 9 2 -3 26.52 6.65 9 2 -2 1.22 3.64 9 2 -2 5.53 4.50 9 2 -1 74.63 11.47 9 2 -1 87.80 13.54 9 2 -1 94.75 14.14 9 2 0 -2.45 5.67 9 2 0 3.60 3.26 9 2 0 8.37 5.81 9 2 1 6.29 5.12 9 2 1 12.14 6.05 9 2 1 12.70 5.58 9 2 2 102.04 13.11 9 2 2 74.06 14.27 9 2 2 102.56 15.90 9 2 3 2.62 3.48 9 2 3 9.40 5.16 9 2 3 -2.75 5.28 9 2 4 24.23 6.49 9 2 4 19.06 7.35 9 2 4 31.29 8.57 9 2 5 -0.03 4.96 9 2 6 299.73 24.50 9 2 7 50.29 9.94 9 2 8 14.78 6.40 9 2 9 84.05 13.62 9 2 10 76.99 13.55 9 3 -7 103.65 14.39 9 3 -6 5.63 4.79 9 3 -5 14.38 4.82 9 3 -4 54.84 10.96 9 3 -3 6.78 4.04 9 3 -2 -2.70 4.19 9 3 -1 112.77 14.89 9 3 0 -1.64 5.91 9 3 0 -10.64 5.93 9 3 1 3.34 3.04 9 3 1 -3.53 5.10 9 3 1 -0.55 3.12 9 3 2 17.06 5.99 9 3 2 14.61 6.83 9 3 2 25.71 6.69 9 3 3 2.31 2.85 9 3 3 3.18 3.47 9 3 3 5.75 4.12 9 3 4 28.06 8.92 9 3 4 29.58 7.14 9 3 4 31.27 7.34 9 3 5 96.23 13.16 9 3 6 50.98 9.89 9 3 7 9.07 5.13 9 3 8 94.17 13.59 9 3 9 4.40 4.21 9 3 10 88.99 14.22 9 4 -6 0.49 4.24 9 4 -5 -4.03 4.87 9 4 -4 22.60 8.36 9 4 -3 106.92 14.07 9 4 -2 27.99 7.66 9 4 -1 22.66 7.63 9 4 0 1.97 4.87 9 4 1 79.86 14.91 9 4 2 -0.10 3.78 9 4 2 0.74 3.53 9 4 3 -5.09 4.56 9 4 3 -0.04 4.31 9 4 3 1.47 2.85 9 4 4 -0.24 3.60 9 4 4 1.21 3.11 9 4 5 28.04 7.21 9 4 6 18.96 5.87 9 4 7 56.12 10.12 9 4 8 6.05 4.56 9 4 9 8.56 5.48 9 5 -6 1.24 3.99 9 5 -5 3.60 4.14 9 5 -4 65.73 12.16 9 5 -3 -4.00 5.48 9 5 -2 126.80 16.63 9 5 -1 6.67 4.79 9 5 0 15.61 8.41 9 5 1 14.94 6.70 9 5 2 9.29 5.45 9 5 3 27.03 8.97 9 5 3 31.62 7.74 9 5 4 10.84 6.86 9 5 4 14.98 4.50 9 5 5 147.35 15.15 9 5 6 3.45 3.79 9 5 7 12.42 4.90 9 5 8 1.72 4.14 9 5 9 10.66 4.08 9 6 -5 100.65 15.62 9 6 -4 2.53 4.59 9 6 -3 14.60 4.56 9 6 -2 149.88 18.42 9 6 -1 3.59 5.39 9 6 0 55.04 13.61 9 6 1 57.54 13.22 9 6 2 84.25 15.65 9 6 3 -0.73 4.05 9 6 4 71.08 14.03 9 6 4 69.25 9.68 9 6 5 24.08 8.42 9 6 5 30.93 7.83 9 6 6 26.81 6.50 9 6 7 102.94 13.14 9 6 8 2.80 3.75 9 7 -4 16.28 7.65 9 7 -3 83.45 14.14 9 7 -2 1.99 4.05 9 7 -1 41.80 10.06 9 7 0 7.00 3.71 9 7 1 1.47 5.27 9 7 2 7.06 5.64 9 7 3 91.09 15.98 9 7 4 75.75 14.56 9 7 5 88.58 15.95 9 7 6 52.05 8.59 9 7 7 0.09 3.00 9 8 -2 20.60 7.86 9 8 -1 40.47 9.69 9 8 0 10.11 6.32 9 8 1 7.92 6.11 9 8 2 -0.32 4.07 9 8 3 112.63 17.66 9 8 4 37.45 10.63 9 8 5 -0.48 3.59 10 1 0 3.61 3.99 10 1 1 -3.01 5.04 10 1 1 0.25 3.65 10 1 2 34.61 10.92 10 1 2 56.18 11.90 10 1 3 4.80 6.01 10 1 3 5.04 5.64 10 2 -1 46.65 9.82 10 2 -1 49.56 11.09 10 2 0 14.49 6.63 10 2 0 2.82 4.55 10 2 1 21.09 8.91 10 2 1 18.95 6.92 10 2 2 2.53 5.58 10 2 2 13.19 6.12 10 2 2 -6.89 6.16 10 2 3 1.64 4.65 10 2 3 1.45 5.10 10 2 4 9.05 6.27 10 2 4 5.55 5.23 10 3 -1 3.90 5.45 10 3 -1 5.70 4.74 10 3 0 31.10 8.69 10 3 0 29.46 8.91 10 3 1 53.16 13.46 10 3 1 96.51 14.77 10 3 2 11.33 5.54 10 3 2 9.49 6.84 10 3 3 42.50 11.73 10 3 3 46.90 10.10 10 3 4 2.88 4.67 10 3 4 -0.02 3.86 10 4 0 200.96 22.64 10 4 1 5.92 7.18 10 4 1 -0.49 5.51 10 4 2 33.01 11.34 10 4 3 8.59 5.84 0 0 0 0.00 0.00 TITL 3d' in P-1 REM P-1 (#2 in standard setting) CELL 0.71073 8.095373 11.366003 15.465506 87.8217 85.3092 80.1136 ZERR 26.00 0.000565 0.000701 0.000817 0.0046 0.0050 0.0056 LATT 1 SFAC C H S As UNIT 26.00 26.00 26.00 26.00 SIZE 0.06 0.13 0.61 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 12754 _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 ; _oxdiff_exptl_absorpt_empirical_full_max 1.671 _oxdiff_exptl_absorpt_empirical_full_min 0.656 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 As1 As 0.27084(5) 0.58314(3) 0.49709(2) 0.02374(12) Uani 1 1 d . . . . . As2 As 0.42314(5) 0.19194(3) 0.05775(2) 0.02212(12) Uani 1 1 d . . . . . S3 S 0.02907(13) 0.45315(9) 0.19765(6) 0.0237(2) Uani 1 1 d . . . . . S4 S 0.67583(13) 0.28864(9) 0.28332(6) 0.0254(2) Uani 1 1 d . . . . . S1 S 0.43213(13) 0.62448(9) 0.21747(6) 0.0257(2) Uani 1 1 d . . . . . S2 S 0.23592(14) 0.23292(9) 0.38908(6) 0.0286(2) Uani 1 1 d . . . . . C3 C 0.3276(5) 0.4362(3) 0.3122(2) 0.0199(8) Uani 1 1 d . . . . . C34 C 0.7311(5) 0.1448(3) 0.1513(2) 0.0207(8) Uani 1 1 d . . . . . C18 C 0.2363(5) 0.3012(3) 0.0983(2) 0.0184(8) Uani 1 1 d . . . . . C1 C 0.3452(5) 0.6255(3) 0.3851(2) 0.0206(8) Uani 1 1 d . . . . . C22 C 0.5618(5) 0.2101(3) 0.1453(2) 0.0201(8) Uani 1 1 d . . . . . C20 C 0.3584(5) 0.3639(3) 0.2305(2) 0.0207(8) Uani 1 1 d . . . . . C2 C 0.3614(5) 0.5520(3) 0.3126(2) 0.0213(8) Uani 1 1 d . . . . . C4 C 0.2715(5) 0.3811(3) 0.3890(2) 0.0225(8) Uani 1 1 d . . . . . C11 C 0.3950(5) 0.7412(3) 0.3627(2) 0.0236(9) Uani 1 1 d . . . . . C28 C 0.0800(5) 0.3260(3) 0.0572(2) 0.0200(8) Uani 1 1 d . . . . . C19 C 0.2288(5) 0.3658(3) 0.1755(2) 0.0192(8) Uani 1 1 d . . . . . C29 C 0.8084(5) 0.1792(3) 0.2222(2) 0.0222(8) Uani 1 1 d . . . . . C21 C 0.5135(5) 0.2908(3) 0.2139(2) 0.0218(8) Uani 1 1 d . . . . . C5 C 0.2404(5) 0.4307(3) 0.4720(2) 0.0205(8) Uani 1 1 d . . . . . C17 C 0.1832(5) 0.3456(4) 0.5354(2) 0.0240(9) Uani 1 1 d . . . . . C27 C 0.0390(5) 0.2817(3) -0.0208(2) 0.0225(8) Uani 1 1 d . . . . . H27 H 0.120004 0.227175 -0.053677 0.027 Uiso 1 1 calc R U . . . C24 C -0.2041(5) 0.4447(3) 0.0743(3) 0.0259(9) Uani 1 1 d . . . . . H24 H -0.286171 0.499838 0.106068 0.031 Uiso 1 1 calc R U . . . C23 C -0.0438(5) 0.4078(3) 0.1035(2) 0.0207(8) Uani 1 1 d . . . . . C10 C 0.4018(5) 0.8353(3) 0.4171(3) 0.0299(10) Uani 1 1 d . . . . . H10 H 0.370183 0.828703 0.477363 0.036 Uiso 1 1 calc R U . . . C33 C 0.8213(5) 0.0538(3) 0.0986(2) 0.0249(9) Uani 1 1 d . . . . . H33 H 0.771449 0.027547 0.050889 0.030 Uiso 1 1 calc R U . . . C30 C 0.9718(5) 0.1287(4) 0.2388(3) 0.0273(9) Uani 1 1 d . . . . . H30 H 1.023311 0.154446 0.286128 0.033 Uiso 1 1 calc R U . . . C25 C -0.2395(5) 0.3986(3) -0.0021(2) 0.0249(9) Uani 1 1 d . . . . . H25 H -0.347592 0.422132 -0.023110 0.030 Uiso 1 1 calc R U . . . C26 C -0.1190(5) 0.3179(3) -0.0490(2) 0.0261(9) Uani 1 1 d . . . . . H26 H -0.146509 0.287483 -0.101388 0.031 Uiso 1 1 calc R U . . . C6 C 0.4436(5) 0.7531(3) 0.2738(2) 0.0246(9) Uani 1 1 d . . . . . C12 C 0.1717(5) 0.2363(4) 0.4996(2) 0.0271(9) Uani 1 1 d . . . . . C32 C 0.9820(5) 0.0031(4) 0.1163(3) 0.0284(9) Uani 1 1 d . . . . . H32 H 1.042194 -0.058773 0.080716 0.034 Uiso 1 1 calc R U . . . C7 C 0.4973(5) 0.8569(4) 0.2392(3) 0.0320(10) Uani 1 1 d . . . . . H7 H 0.530612 0.863820 0.179141 0.038 Uiso 1 1 calc R U . . . C31 C 1.0580(5) 0.0405(4) 0.1853(3) 0.0303(10) Uani 1 1 d . . . . . H31 H 1.169958 0.005129 0.195783 0.036 Uiso 1 1 calc R U . . . C16 C 0.1387(5) 0.3615(4) 0.6247(2) 0.0292(10) Uani 1 1 d . . . . . H16 H 0.146817 0.434443 0.650753 0.035 Uiso 1 1 calc R U . . . C8 C 0.5007(6) 0.9491(4) 0.2944(3) 0.0363(11) Uani 1 1 d . . . . . H8 H 0.534790 1.020883 0.272010 0.044 Uiso 1 1 calc R U . . . C15 C 0.0829(6) 0.2700(4) 0.6744(3) 0.0395(12) Uani 1 1 d . . . . . H15 H 0.053030 0.280216 0.734638 0.047 Uiso 1 1 calc R U . . . C9 C 0.4542(6) 0.9373(4) 0.3835(3) 0.0367(11) Uani 1 1 d . . . . . H9 H 0.459196 1.000784 0.420874 0.044 Uiso 1 1 calc R U . . . C13 C 0.1152(6) 0.1439(4) 0.5494(3) 0.0369(11) Uani 1 1 d . . . . . H13 H 0.107861 0.070196 0.524197 0.044 Uiso 1 1 calc R U . . . C14 C 0.0704(6) 0.1629(4) 0.6364(3) 0.0417(12) Uani 1 1 d . . . . . H14 H 0.030023 0.101661 0.671178 0.050 Uiso 1 1 calc R U . . . 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 As1 0.0325(2) 0.0254(2) 0.0135(2) -0.00572(16) -0.00346(17) -0.00363(19) As2 0.0261(2) 0.0261(2) 0.0148(2) -0.00728(16) -0.00341(16) -0.00391(18) S3 0.0279(5) 0.0258(5) 0.0171(5) -0.0051(4) 0.0001(4) -0.0037(4) S4 0.0295(6) 0.0309(5) 0.0177(5) -0.0061(4) -0.0056(4) -0.0075(5) S1 0.0335(6) 0.0269(5) 0.0172(5) -0.0014(4) -0.0007(4) -0.0070(5) S2 0.0429(6) 0.0256(5) 0.0198(5) -0.0031(4) -0.0027(5) -0.0124(5) C3 0.023(2) 0.024(2) 0.0124(17) -0.0037(15) -0.0034(15) -0.0027(17) C34 0.025(2) 0.0226(19) 0.0158(18) 0.0007(15) -0.0018(16) -0.0091(17) C18 0.026(2) 0.0170(18) 0.0133(17) -0.0027(14) 0.0010(15) -0.0071(16) C1 0.022(2) 0.024(2) 0.0162(18) -0.0039(15) -0.0059(16) -0.0021(17) C22 0.022(2) 0.024(2) 0.0156(18) -0.0023(15) -0.0009(15) -0.0086(17) C20 0.030(2) 0.0220(19) 0.0114(17) -0.0026(15) 0.0000(16) -0.0086(17) C2 0.022(2) 0.027(2) 0.0142(18) -0.0022(15) -0.0027(16) -0.0025(17) C4 0.027(2) 0.023(2) 0.0181(19) -0.0064(16) -0.0035(16) -0.0034(17) C11 0.024(2) 0.021(2) 0.025(2) -0.0006(16) -0.0074(17) -0.0007(17) C28 0.026(2) 0.0182(18) 0.0163(18) 0.0011(14) 0.0004(16) -0.0077(16) C19 0.027(2) 0.0161(18) 0.0152(17) -0.0023(14) 0.0017(16) -0.0069(16) C29 0.029(2) 0.0209(19) 0.0183(19) 0.0000(15) -0.0008(17) -0.0088(17) C21 0.027(2) 0.026(2) 0.0155(18) -0.0017(15) -0.0017(16) -0.0117(18) C5 0.023(2) 0.025(2) 0.0142(17) -0.0027(15) -0.0029(15) -0.0040(17) C17 0.019(2) 0.033(2) 0.0186(19) 0.0044(16) -0.0054(16) -0.0018(18) C27 0.029(2) 0.0214(19) 0.0184(19) -0.0023(15) -0.0025(17) -0.0081(17) C24 0.026(2) 0.024(2) 0.027(2) 0.0034(17) 0.0005(18) -0.0060(18) C23 0.030(2) 0.0197(19) 0.0135(17) 0.0007(14) 0.0003(16) -0.0090(17) C10 0.038(3) 0.026(2) 0.027(2) -0.0048(17) -0.0102(19) -0.005(2) C33 0.030(2) 0.025(2) 0.022(2) 0.0007(16) -0.0021(17) -0.0099(18) C30 0.029(2) 0.033(2) 0.022(2) 0.0048(17) -0.0077(18) -0.0104(19) C25 0.024(2) 0.029(2) 0.024(2) 0.0075(17) -0.0064(17) -0.0094(18) C26 0.034(2) 0.027(2) 0.0199(19) 0.0049(16) -0.0068(17) -0.0104(19) C6 0.024(2) 0.025(2) 0.025(2) -0.0003(16) -0.0049(17) -0.0030(18) C12 0.030(2) 0.030(2) 0.021(2) 0.0031(17) -0.0035(17) -0.0028(19) C32 0.028(2) 0.028(2) 0.028(2) 0.0021(17) 0.0000(18) -0.0036(19) C7 0.032(2) 0.027(2) 0.037(2) 0.0035(19) -0.003(2) -0.0053(19) C31 0.026(2) 0.033(2) 0.032(2) 0.0124(19) -0.0052(19) -0.0053(19) C16 0.032(2) 0.032(2) 0.021(2) -0.0003(17) 0.0006(18) 0.001(2) C8 0.040(3) 0.029(2) 0.043(3) 0.006(2) -0.008(2) -0.014(2) C15 0.046(3) 0.041(3) 0.026(2) 0.006(2) 0.003(2) 0.003(2) C9 0.050(3) 0.023(2) 0.041(3) -0.0050(19) -0.015(2) -0.008(2) C13 0.044(3) 0.032(2) 0.035(2) 0.005(2) -0.001(2) -0.009(2) C14 0.050(3) 0.041(3) 0.032(2) 0.017(2) 0.003(2) -0.008(2) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 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' As As 0.0499 2.0058 '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' loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist 0 2 1 0.0195 0 -2 -1 0.0360 0 0 -1 0.0163 0 0 1 0.0879 -1 0 0 0.3122 1 0 0 0.2731 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 C5 As1 C1 96.44(16) . . ? C18 As2 C22 97.38(16) . . ? C23 S3 C19 91.88(18) . . ? C29 S4 C21 91.54(18) . . ? C6 S1 C2 91.98(18) . . ? C12 S2 C4 91.60(18) . . ? C2 C3 C20 121.4(3) . . ? C2 C3 C4 120.5(3) . . ? C4 C3 C20 118.1(3) . . ? C29 C34 C22 112.4(3) . . ? C29 C34 C33 118.3(4) . . ? C33 C34 C22 129.3(4) . . ? C28 C18 As2 124.2(3) . . ? C19 C18 As2 123.8(3) . . ? C19 C18 C28 111.9(3) . . ? C2 C1 As1 125.1(3) . . ? C2 C1 C11 112.0(3) . . ? C11 C1 As1 122.9(3) . . ? C34 C22 As2 124.6(3) . . ? C21 C22 As2 123.5(3) . . ? C21 C22 C34 111.9(3) . . ? C19 C20 C3 120.0(3) . . ? C21 C20 C3 119.0(3) . . ? C21 C20 C19 120.9(3) . . ? C3 C2 S1 121.9(3) . . ? C3 C2 C1 126.4(3) . . ? C1 C2 S1 111.7(3) . . ? C3 C4 S2 120.4(3) . . ? C3 C4 C5 127.2(3) . . ? C5 C4 S2 112.4(3) . . ? C10 C11 C1 128.8(4) . . ? C10 C11 C6 118.8(3) . . ? C6 C11 C1 112.4(3) . . ? C27 C28 C18 129.0(3) . . ? C27 C28 C23 118.3(4) . . ? C23 C28 C18 112.7(3) . . ? C18 C19 S3 111.5(3) . . ? C20 C19 S3 121.6(3) . . ? C20 C19 C18 126.8(3) . . ? C34 C29 S4 112.3(3) . . ? C30 C29 S4 126.1(3) . . ? C30 C29 C34 121.6(4) . . ? C22 C21 S4 111.8(3) . . ? C20 C21 S4 120.7(3) . . ? C20 C21 C22 127.5(4) . . ? C4 C5 As1 124.4(3) . . ? C4 C5 C17 111.0(3) . . ? C17 C5 As1 124.6(3) . . ? C12 C17 C5 113.2(3) . . ? C12 C17 C16 118.6(4) . . ? C16 C17 C5 128.2(4) . . ? C26 C27 C28 119.6(4) . . ? C25 C24 C23 118.0(4) . . ? C28 C23 S3 111.9(3) . . ? C24 C23 S3 126.2(3) . . ? C24 C23 C28 121.8(4) . . ? C9 C10 C11 120.0(4) . . ? C32 C33 C34 119.7(4) . . ? C31 C30 C29 118.8(4) . . ? C24 C25 C26 121.1(4) . . ? C27 C26 C25 121.2(4) . . ? C11 C6 S1 111.9(3) . . ? C7 C6 S1 126.7(3) . . ? C7 C6 C11 121.4(4) . . ? C17 C12 S2 111.8(3) . . ? C13 C12 S2 126.2(3) . . ? C13 C12 C17 122.0(4) . . ? C33 C32 C31 121.2(4) . . ? C8 C7 C6 118.4(4) . . ? C30 C31 C32 120.4(4) . . ? C15 C16 C17 119.6(4) . . ? C7 C8 C9 120.5(4) . . ? C16 C15 C14 120.4(4) . . ? C10 C9 C8 120.9(4) . . ? C14 C13 C12 117.9(4) . . ? C13 C14 C15 121.6(4) . . ? 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 As1 C1 1.860(4) . ? As1 C5 1.852(4) . ? As2 C18 1.866(4) . ? As2 C22 1.868(4) . ? S3 C19 1.761(4) . ? S3 C23 1.742(4) . ? S4 C29 1.748(4) . ? S4 C21 1.761(4) . ? S1 C2 1.762(4) . ? S1 C6 1.750(4) . ? S2 C4 1.757(4) . ? S2 C12 1.745(4) . ? C3 C20 1.514(5) . ? C3 C2 1.390(5) . ? C3 C4 1.400(5) . ? C34 C22 1.450(5) . ? C34 C29 1.405(5) . ? C34 C33 1.406(5) . ? C18 C28 1.443(5) . ? C18 C19 1.418(5) . ? C1 C2 1.407(5) . ? C1 C11 1.462(5) . ? C22 C21 1.414(5) . ? C20 C19 1.400(5) . ? C20 C21 1.392(5) . ? C4 C5 1.407(5) . ? C11 C10 1.397(5) . ? C11 C6 1.407(5) . ? C28 C27 1.409(5) . ? C28 C23 1.413(5) . ? C29 C30 1.389(6) . ? C5 C17 1.455(5) . ? C17 C12 1.399(6) . ? C17 C16 1.410(5) . ? C27 C26 1.376(6) . ? C24 C23 1.400(6) . ? C24 C25 1.381(5) . ? C10 C9 1.371(5) . ? C33 C32 1.374(6) . ? C30 C31 1.380(6) . ? C25 C26 1.394(5) . ? C6 C7 1.399(5) . ? C12 C13 1.398(5) . ? C32 C31 1.390(6) . ? C7 C8 1.382(6) . ? C16 C15 1.385(6) . ? C8 C9 1.406(6) . ? C15 C14 1.394(7) . ? C13 C14 1.379(6) . ? 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 -0.0000 2.0000 1.0000 0.0188 0.1322 0.0073 0.0000 -2.0000 -1.0000 -0.0188 -0.1322 -0.0073 0.0000 0.0000 -1.0000 -0.0452 -0.0086 0.0010 -0.0000 -0.0000 1.0000 0.0452 0.0086 -0.0010 -1.0000 0.0000 -0.0000 0.0068 0.0110 0.0883 1.0000 -0.0000 0.0000 -0.0068 -0.0110 -0.0883