#------------------------------------------------------------------------------ #$Date: 2021-05-04 00:52:28 +0300 (Tue, 04 May 2021) $ #$Revision: 264805 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/51/86/4518686.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_4518686 loop_ _publ_author_name 'Zou, Hang' 'Zhang, Jing' 'Wu, Changmeng' 'He, Benzhao' 'Hu, Yubing' 'Sung, Herman H. Y.' 'Kwok, Ryan T. K.' 'Lam, Jacky W. Y.' 'Zheng, Lei' 'Tang, Ben Zhong' _publ_section_title ; Making Aggregation-Induced Emission Luminogen More Valuable by Gold: Enhancing Anticancer Efficacy by Suppressing Thioredoxin Reductase Activity ; _journal_name_full 'ACS Nano' _journal_paper_doi 10.1021/acsnano.1c02882 _journal_year 2021 _chemical_formula_moiety 'C35 H20 Au F5 N4 S' _chemical_formula_sum 'C35 H20 Au F5 N4 S' _chemical_formula_weight 820.58 _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 _audit_creation_date 2019-02-01 _audit_creation_method ; Olex2 1.2-beta (compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506) ; _cell_angle_alpha 111.821(5) _cell_angle_beta 100.122(4) _cell_angle_gamma 103.297(5) _cell_formula_units_Z 2 _cell_length_a 8.7359(4) _cell_length_b 13.6139(8) _cell_length_c 13.9957(8) _cell_measurement_temperature 100(2) _cell_volume 1439.58(16) _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 2014/4 (Sheldrick, 2014)' _diffrn_ambient_temperature 100.15 _diffrn_measured_fraction_theta_full 0.986 _diffrn_measured_fraction_theta_max 0.982 _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54184 _diffrn_reflns_av_R_equivalents 0.0396 _diffrn_reflns_av_unetI/netI 0.0576 _diffrn_reflns_Laue_measured_fraction_full 0.986 _diffrn_reflns_Laue_measured_fraction_max 0.982 _diffrn_reflns_limit_h_max 8 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_number 7884 _diffrn_reflns_point_group_measured_fraction_full 0.986 _diffrn_reflns_point_group_measured_fraction_max 0.982 _diffrn_reflns_theta_full 66.500 _diffrn_reflns_theta_max 67.488 _diffrn_reflns_theta_min 3.554 _exptl_absorpt_coefficient_mu 10.866 _exptl_crystal_density_diffrn 1.893 _exptl_crystal_F_000 796 _refine_diff_density_max 2.076 _refine_diff_density_min -1.052 _refine_diff_density_rms 0.150 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 0.994 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 415 _refine_ls_number_reflns 5106 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 0.994 _refine_ls_R_factor_all 0.0400 _refine_ls_R_factor_gt 0.0350 _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^)+(0.0484P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0836 _refine_ls_wR_factor_ref 0.0862 _reflns_Friedel_coverage 0.000 _reflns_number_gt 4610 _reflns_number_total 5106 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file nn1c02882_si_001.cif _cod_data_source_block zjing24cult _cod_original_cell_volume 1439.58(15) _cod_database_code 4518686 _shelx_shelxl_version_number 2018/3 _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. ; _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups 2.a Aromatic/amide H refined with riding coordinates: C18(H18), C1(H1), C2(H2), C3(H3), C4(H4), C5(H5), C8(H8), C9(H9), C10(H10), C11(H11), C12(H12), C14(H14), C15(H15), C17(H17), C20(H20), C21(H21), C28(H28), C29(H29), C26(H26), C27(H27) ; _shelx_res_file ; TITL zjing24cult_a.res in P-1 zjing24cult.res created by SHELXL-2018/3 at 12:30:35 on 01-Feb-2019 REM Old TITL zjing24CuLT in P-1 #2 REM SHELXT solution in P-1 REM R1 0.075, Rweak 0.009, Alpha 0.039, Orientation as input REM Formula found by SHELXT: C36 N3 O5 Cl Au CELL 1.54184 8.7359 13.6139 13.9957 111.821 100.122 103.297 ZERR 2 0.0004 0.0008 0.0008 0.005 0.004 0.005 LATT 1 SFAC C H Au F N S UNIT 70 40 2 10 8 2 L.S. 10 PLAN 2 TEMP -173 CONF BOND $H list 4 MORE -1 fmap 2 acta 133 OMIT 0 135 OMIT 0 -1 4 OMIT 1 -1 4 OMIT 1 -13 13 OMIT 3 0 4 OMIT 8 -4 5 OMIT -3 -11 2 REM REM REM WGHT 0.048400 FVAR 0.25461 AU1 3 0.113612 0.603439 0.408169 11.00000 0.01741 0.02084 = 0.02476 0.01346 0.00588 0.00916 S1 6 0.760628 0.486089 0.869779 11.00000 0.03350 0.01695 = 0.02665 0.00659 -0.00374 0.00911 F1 4 -0.173244 0.529965 0.197302 11.00000 0.02686 0.02174 = 0.02921 0.00875 0.00005 0.00345 F2 4 -0.330763 0.646920 0.125632 11.00000 0.02500 0.04360 = 0.03267 0.01898 -0.00523 0.00761 F3 4 -0.226523 0.875109 0.230166 11.00000 0.03510 0.03955 = 0.03925 0.02633 0.01071 0.02367 F4 4 0.035813 0.982822 0.407580 11.00000 0.04333 0.01967 = 0.03111 0.01217 0.01457 0.01407 F5 4 0.179223 0.865863 0.490173 11.00000 0.02702 0.02338 = 0.02639 0.00971 -0.00248 0.00467 N1 5 0.771697 -0.123010 0.830788 11.00000 0.02165 0.02173 = 0.02745 0.01583 0.01433 0.01267 N2 5 0.738644 0.355735 0.838005 11.00000 0.02582 0.01572 = 0.01987 0.00729 0.00304 0.00967 N3 5 0.629746 0.476631 0.766567 11.00000 0.02159 0.01845 = 0.02007 0.00446 0.00072 0.00545 N4 5 0.219531 0.511271 0.469243 11.00000 0.01479 0.01849 = 0.02561 0.01123 0.00697 0.00641 C18 1 0.835511 0.058286 0.821922 11.00000 0.01426 0.01709 = 0.01781 0.00666 0.00294 0.00459 AFIX 43 H18 2 0.945505 0.079633 0.864283 11.00000 -1.20000 AFIX 0 C1 1 0.652936 -0.077588 0.980699 11.00000 0.01746 0.01845 = 0.02049 0.00687 0.00399 0.00781 AFIX 43 H1 2 0.701474 -0.000402 0.999674 11.00000 -1.20000 AFIX 0 C2 1 0.559555 -0.110813 1.041633 11.00000 0.02353 0.03328 = 0.01848 0.01245 0.00776 0.01561 AFIX 43 H2 2 0.544428 -0.055956 1.101874 11.00000 -1.20000 AFIX 0 C3 1 0.489348 -0.222788 1.014703 11.00000 0.01915 0.03524 = 0.02573 0.02117 0.00753 0.01292 AFIX 43 H3 2 0.425698 -0.245020 1.056093 11.00000 -1.20000 AFIX 0 C4 1 0.512046 -0.302743 0.927003 11.00000 0.01812 0.01785 = 0.02403 0.00947 0.00094 0.00221 AFIX 43 H4 2 0.465595 -0.379834 0.909220 11.00000 -1.20000 AFIX 0 C5 1 0.602524 -0.270630 0.864904 11.00000 0.01763 0.02256 = 0.01945 0.00922 0.00601 0.00976 AFIX 43 H5 2 0.615230 -0.325730 0.803718 11.00000 -1.20000 AFIX 0 C6 1 0.674326 -0.157742 0.892552 11.00000 0.01382 0.02160 = 0.02322 0.01360 0.00466 0.00870 C8 1 0.975403 -0.202974 0.883488 11.00000 0.01805 0.02053 = 0.02038 0.00973 0.00689 0.00811 AFIX 43 H8 2 0.921995 -0.215242 0.933547 11.00000 -1.20000 AFIX 0 C9 1 1.113124 -0.236377 0.871740 11.00000 0.01738 0.01932 = 0.02675 0.00644 -0.00005 0.00801 AFIX 43 H9 2 1.152872 -0.271498 0.913446 11.00000 -1.20000 AFIX 0 C10 1 1.191775 -0.218246 0.799177 11.00000 0.01600 0.02303 = 0.03056 0.01235 0.00767 0.01033 AFIX 43 H10 2 1.284958 -0.241476 0.790391 11.00000 -1.20000 AFIX 0 C11 1 1.133532 -0.165856 0.739294 11.00000 0.01988 0.02349 = 0.02476 0.01129 0.01228 0.00858 AFIX 43 H11 2 1.189125 -0.151595 0.690892 11.00000 -1.20000 AFIX 0 C12 1 0.996039 -0.134391 0.749387 11.00000 0.01744 0.02179 = 0.02251 0.01045 0.00678 0.00649 AFIX 43 H12 2 0.955750 -0.100655 0.706382 11.00000 -1.20000 AFIX 0 C7 1 0.915393 -0.151723 0.822403 11.00000 0.01229 0.01306 = 0.01973 0.00264 0.00061 0.00197 C13 1 0.728244 -0.046782 0.794345 11.00000 0.01846 0.02441 = 0.02142 0.01149 0.00919 0.01242 C14 1 0.567522 -0.078735 0.727683 11.00000 0.01814 0.01454 = 0.02303 0.01016 0.00772 0.00425 AFIX 43 H14 2 0.493307 -0.151400 0.705763 11.00000 -1.20000 AFIX 0 C15 1 0.517760 -0.004820 0.694219 11.00000 0.01676 0.01796 = 0.01898 0.00854 0.00816 0.00794 AFIX 43 H15 2 0.408227 -0.027032 0.650770 11.00000 -1.20000 AFIX 0 C16 1 0.623733 0.101509 0.722395 11.00000 0.02177 0.01155 = 0.01903 0.00209 0.00978 0.00804 C17 1 0.784862 0.133275 0.788589 11.00000 0.02302 0.01916 = 0.02093 0.01078 0.01136 0.00977 AFIX 43 H17 2 0.859062 0.205946 0.810516 11.00000 -1.20000 AFIX 0 C19 1 0.567165 0.177513 0.682831 11.00000 0.01057 0.01953 = 0.01959 0.00885 0.00528 0.00861 C20 1 0.451031 0.137095 0.584994 11.00000 0.01671 0.01904 = 0.02157 0.00909 0.00657 0.00837 AFIX 43 H20 2 0.410024 0.058506 0.542503 11.00000 -1.20000 AFIX 0 C21 1 0.389141 0.205054 0.543912 11.00000 0.01899 0.02265 = 0.01588 0.00803 0.00587 0.00809 AFIX 43 H21 2 0.308405 0.170243 0.475929 11.00000 -1.20000 AFIX 0 C22 1 0.441704 0.320578 0.598995 11.00000 0.01629 0.02224 = 0.02226 0.01380 0.01054 0.00992 C23 1 0.562489 0.366958 0.701076 11.00000 0.01922 0.02007 = 0.02123 0.01031 0.01171 0.00911 C24 1 0.625698 0.297523 0.741989 11.00000 0.01857 0.02028 = 0.01998 0.00963 0.00992 0.00960 C28 1 0.268237 0.542562 0.576076 11.00000 0.02247 0.01716 = 0.01786 0.00792 0.00466 0.00783 AFIX 43 H28 2 0.249923 0.607403 0.622541 11.00000 -1.20000 AFIX 0 C29 1 0.343270 0.485063 0.621113 11.00000 0.02001 0.02051 = 0.01924 0.00857 0.00522 0.00975 AFIX 43 H29 2 0.377003 0.511172 0.697005 11.00000 -1.20000 AFIX 0 C25 1 0.369552 0.389006 0.555582 11.00000 0.01156 0.02087 = 0.02282 0.01087 0.00330 0.00449 C26 1 0.318972 0.356374 0.445324 11.00000 0.02223 0.01978 = 0.02578 0.01219 0.01068 0.01231 AFIX 43 H26 2 0.335613 0.291550 0.397456 11.00000 -1.20000 AFIX 0 C27 1 0.245503 0.417058 0.405531 11.00000 0.02729 0.02385 = 0.02064 0.01291 0.00868 0.01222 AFIX 43 H27 2 0.210966 0.392267 0.329827 11.00000 -1.20000 AFIX 0 C31 1 -0.121251 0.642200 0.254441 11.00000 0.01677 0.02230 = 0.02502 0.01200 0.00532 0.00681 C32 1 -0.203911 0.700922 0.215246 11.00000 0.01273 0.03296 = 0.02327 0.01490 0.00186 0.00661 C33 1 -0.151731 0.816281 0.268739 11.00000 0.01942 0.03504 = 0.02868 0.02270 0.01231 0.01701 C34 1 -0.021179 0.870365 0.360579 11.00000 0.02387 0.02341 = 0.02445 0.01170 0.01403 0.01126 C35 1 0.054199 0.809264 0.400156 11.00000 0.01600 0.02447 = 0.02167 0.01156 0.00558 0.00677 C30 1 0.009113 0.692642 0.349720 11.00000 0.01569 0.02208 = 0.01959 0.01082 0.00730 0.01031 HKLF 4 REM zjing24cult_a.res in P-1 REM wR2 = 0.0862, GooF = S = 0.994, Restrained GooF = 0.994 for all data REM R1 = 0.0350 for 4610 Fo > 4sig(Fo) and 0.0400 for all 5106 data REM 415 parameters refined using 0 restraints END WGHT 0.0484 0.0000 REM Highest difference peak 2.076, deepest hole -1.052, 1-sigma level 0.150 Q1 1 0.1344 0.6177 0.4810 11.00000 0.05 2.08 Q2 1 0.0832 0.5901 0.3414 11.00000 0.05 1.99 ; _shelx_res_checksum 99560 _shelx_hkl_file ; -10 -2 5 9.08 2.26 -10 -2 6 63.38 5.06 -10 -2 7 165.80 8.59 -10 -2 8 100.99 6.42 -10 -1 4 75.89 5.79 -10 -1 5 34.59 4.14 -10 -1 6 6.04 2.32 -10 -1 7 18.06 3.37 -10 -1 8 99.42 6.77 -10 -1 9 109.93 6.42 -10 0 3 167.38 9.23 -10 0 4 149.64 9.04 -10 0 5 82.21 6.85 -10 0 6 40.86 5.05 -10 0 7 12.56 3.25 -10 0 8 39.83 4.56 -10 0 9 92.93 5.83 -10 1 -1 213.43 9.03 -10 1 0 69.69 5.70 -10 1 1 30.01 4.38 -10 1 2 11.44 3.07 -10 1 3 73.76 6.64 -10 1 3 75.52 6.68 -10 1 4 139.18 9.22 -10 1 5 180.07 10.87 -10 1 6 141.60 9.69 -10 1 7 34.43 4.71 -10 1 8 -0.59 1.94 -10 2 -2 -1.01 1.42 -10 2 -1 73.05 5.71 -10 2 0 71.96 6.38 -10 2 1 214.61 11.76 -10 2 2 176.59 10.49 -10 2 3 -0.14 2.55 -10 2 3 1.52 2.84 -10 2 4 11.63 3.59 -10 2 4 7.98 2.80 -10 2 5 55.00 6.54 -10 2 6 228.28 12.94 -10 2 7 112.82 8.31 -10 2 8 26.74 3.64 -10 3 -2 97.35 6.30 -10 3 -1 -0.04 2.07 -10 3 0 3.37 2.43 -10 3 1 79.07 7.10 -10 3 2 324.61 14.63 -10 3 3 140.76 8.87 -10 3 3 166.84 10.89 -10 3 4 46.10 6.33 -10 3 4 32.44 4.16 -10 3 5 25.28 4.96 -10 3 6 104.02 8.61 -10 3 7 165.82 9.50 -10 4 -3 160.98 7.72 -10 4 -2 209.29 10.34 -10 4 -1 43.41 5.18 -10 4 0 1.72 2.48 -10 4 1 3.56 2.37 -10 4 2 112.21 7.87 -10 4 3 218.19 10.82 -10 4 4 172.05 9.10 -10 4 4 214.67 13.05 -10 4 5 50.33 6.53 -10 5 -3 29.58 3.56 -10 5 -2 237.62 11.45 -10 5 -1 164.39 9.82 -10 5 0 64.13 6.09 -10 5 1 0.60 1.94 -10 5 2 44.98 4.76 -10 5 3 177.97 9.06 -10 6 -4 44.56 3.71 -10 6 -3 14.42 2.81 -10 6 -2 37.56 4.62 -10 6 -1 232.08 11.40 -10 6 0 270.87 12.29 -10 6 1 134.89 7.94 -10 6 2 1.39 1.46 -10 7 -4 178.24 7.99 -10 7 -3 50.20 4.65 -10 7 -2 11.94 2.70 -10 7 -1 4.36 2.16 -10 7 0 135.68 7.61 -10 7 1 168.27 8.07 -10 8 -3 133.47 7.16 -10 8 -2 45.56 4.29 -10 8 -1 12.88 2.44 -9 -5 6 55.25 4.20 -9 -5 7 16.79 2.66 -9 -5 8 8.65 2.27 -9 -5 9 77.17 5.74 -9 -5 10 133.09 7.30 -9 -4 1 71.61 5.18 -9 -4 2 34.87 3.83 -9 -4 3 2.06 1.56 -9 -4 4 4.20 1.63 -9 -4 5 134.08 7.62 -9 -4 6 132.45 7.84 -9 -4 7 89.83 6.62 -9 -4 8 46.86 5.09 -9 -4 9 0.49 2.00 -9 -4 10 37.95 4.31 -9 -4 11 103.97 6.19 -9 -3 -1 2.22 1.25 -9 -3 0 9.50 2.38 -9 -3 1 76.42 6.06 -9 -3 2 94.23 6.80 -9 -3 3 113.12 7.23 -9 -3 3 93.13 6.60 -9 -3 4 28.53 4.05 -9 -3 5 4.72 2.26 -9 -3 6 84.32 6.92 -9 -3 7 235.13 12.30 -9 -3 8 114.46 8.51 -9 -3 9 6.93 2.78 -9 -3 10 7.56 2.55 -9 -3 11 51.58 4.54 -9 -2 -2 98.06 5.95 -9 -2 -1 92.47 6.66 -9 -2 0 1.22 1.93 -9 -2 1 83.09 6.78 -9 -2 2 37.28 4.64 -9 -2 2 43.08 5.67 -9 -2 2 53.04 5.52 -9 -2 3 252.58 12.41 -9 -2 4 72.89 6.59 -9 -2 5 3.14 2.60 -9 -2 6 20.16 4.17 -9 -2 7 74.54 7.27 -9 -2 8 335.76 16.23 -9 -2 9 156.00 10.26 -9 -2 10 12.01 2.97 -9 -2 11 6.48 2.06 -9 -1 -3 31.42 3.40 -9 -1 -2 91.76 6.75 -9 -1 -1 288.05 11.52 -9 -1 -1 186.19 11.43 -9 -1 0 97.82 7.58 -9 -1 0 91.63 7.74 -9 -1 1 9.25 3.42 -9 -1 1 18.23 3.67 -9 -1 1 8.49 2.82 -9 -1 2 2.33 1.61 -9 -1 2 3.56 3.06 -9 -1 2 1.68 2.30 -9 -1 3 127.84 10.00 -9 -1 3 117.47 8.74 -9 -1 4 241.79 13.72 -9 -1 4 230.15 12.81 -9 -1 5 48.45 6.06 -9 -1 6 2.41 2.55 -9 -1 7 15.49 4.29 -9 -1 8 36.36 5.68 -9 -1 9 164.01 10.61 -9 -1 10 290.87 13.10 -9 -1 11 68.96 5.05 -9 0 -4 42.54 3.81 -9 0 -2 3.41 2.23 -9 0 -2 6.59 2.16 -9 0 -1 133.05 9.76 -9 0 -1 178.46 10.21 -9 0 0 274.93 14.58 -9 0 0 248.81 13.53 -9 0 1 50.24 5.73 -9 0 1 59.26 7.21 -9 0 1 73.04 7.28 -9 0 2 43.13 6.48 -9 0 2 41.43 5.65 -9 0 3 36.11 5.73 -9 0 3 34.96 5.31 -9 0 4 191.53 12.25 -9 0 4 210.57 12.62 -9 0 5 147.26 10.81 -9 0 5 130.66 9.95 -9 0 6 147.73 11.24 -9 0 7 41.21 6.29 -9 0 8 22.44 4.79 -9 0 9 42.83 5.54 -9 0 10 155.46 8.73 -9 1 -4 92.19 6.43 -9 1 -3 40.66 5.03 -9 1 -3 51.65 4.63 -9 1 -2 10.41 3.41 -9 1 -2 17.18 3.63 -9 1 -1 52.60 6.33 -9 1 -1 74.38 7.36 -9 1 0 165.83 10.60 -9 1 0 179.46 12.33 -9 1 0 206.88 12.41 -9 1 1 246.80 14.17 -9 1 1 224.72 14.20 -9 1 2 246.91 14.04 -9 1 2 247.41 14.49 -9 1 3 42.10 6.25 -9 1 3 47.85 6.40 -9 1 4 46.54 6.48 -9 1 4 37.59 5.74 -9 1 5 85.48 8.62 -9 1 5 73.44 7.36 -9 1 6 256.77 15.62 -9 1 7 180.06 12.76 -9 1 8 30.57 5.16 -9 1 9 5.20 2.60 -9 1 10 8.78 2.03 -9 2 -5 29.78 3.46 -9 2 -4 88.35 6.98 -9 2 -4 113.97 6.62 -9 2 -3 112.44 8.72 -9 2 -3 163.29 9.41 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5.26 1 -16 5 216.00 10.88 1 -16 6 153.80 8.74 1 -16 7 12.30 2.83 1 -16 8 1.67 1.71 1 -16 9 93.24 5.96 1 -15 0 84.19 5.00 1 -15 1 162.37 8.85 1 -15 2 84.53 7.45 1 -15 3 -0.13 3.34 1 -15 4 27.83 4.89 1 -15 5 126.06 9.15 1 -15 6 236.13 12.37 1 -15 7 121.09 8.47 1 -15 8 87.79 7.04 1 -15 8 77.38 7.32 1 -15 9 9.59 3.19 1 -15 9 7.82 2.43 1 -15 10 103.69 7.17 1 -15 10 96.86 7.42 1 -15 11 121.78 7.66 1 -15 12 262.29 10.72 1 -14 -1 10.23 2.59 1 -14 0 36.61 4.88 1 -14 1 145.71 10.60 1 -14 2 157.56 11.66 1 -14 3 16.10 4.84 1 -14 4 13.60 4.57 1 -14 5 71.79 7.51 1 -14 6 218.06 12.76 1 -14 6 210.75 12.64 1 -14 7 311.65 15.53 1 -14 7 300.65 15.58 1 -14 8 227.93 12.78 1 -14 8 213.52 13.06 1 -14 9 38.34 5.89 1 -14 9 40.00 5.38 1 -14 10 4.77 2.98 1 -14 10 -5.16 2.69 1 -14 11 51.97 6.34 1 -14 12 217.53 11.79 1 -14 13 130.25 7.94 1 -14 14 112.16 6.31 1 -13 -2 149.40 8.39 1 -13 -1 29.75 4.71 1 -13 0 24.06 5.19 1 -13 1 21.61 5.12 1 -13 2 190.00 13.67 1 -13 3 247.65 15.07 1 -13 4 91.63 8.78 1 -13 5 25.06 5.20 1 -13 6 9.04 3.78 1 -13 7 100.53 9.09 1 -13 8 508.63 21.21 1 -13 8 460.24 21.27 1 -13 9 121.24 9.34 1 -13 9 115.16 10.35 1 -13 10 48.60 5.66 1 -13 10 58.40 8.08 1 -13 11 -1.62 3.87 1 -13 12 42.23 6.15 1 -13 13 420.83 17.82 1 -13 14 174.55 9.41 1 -13 15 101.66 5.90 1 -12 -3 69.40 5.94 1 -12 -2 173.50 11.08 1 -12 -1 108.71 10.02 1 -12 0 136.82 12.23 1 -12 1 23.64 6.23 1 -12 2 1.40 3.75 1 -12 3 24.17 5.28 1 -12 4 134.82 10.73 1 -12 5 57.91 7.21 1 -12 6 88.79 8.87 1 -12 7 46.31 6.46 1 -12 8 141.48 11.35 1 -12 8 153.00 10.92 1 -12 9 222.48 12.87 1 -12 9 234.64 15.35 1 -12 10 29.10 6.34 1 -12 11 155.92 13.14 1 -12 12 1.50 3.92 1 -12 13 14.39 4.06 1 -12 14 121.04 8.48 1 -12 15 272.33 11.48 1 -11 -6 99.88 6.37 1 -11 -5 57.90 5.88 1 -11 -4 72.39 7.75 1 -11 -4 83.81 6.71 1 -11 -3 0.42 3.23 1 -11 -3 4.06 2.75 1 -11 -2 84.70 8.87 1 -11 -2 107.89 10.02 1 -11 -1 120.55 11.65 1 -11 0 533.69 25.53 1 -11 1 206.37 14.54 1 -11 2 1.15 3.47 1 -11 2 -5.50 3.77 1 -11 3 36.90 7.22 1 -11 3 43.01 6.50 1 -11 4 235.36 18.47 1 -11 4 225.18 13.63 1 -11 5 56.53 9.11 1 -11 5 53.08 6.97 1 -11 6 100.08 11.98 1 -11 6 117.01 9.71 1 -11 7 185.63 12.04 1 -11 8 41.87 5.89 1 -11 9 135.36 9.77 1 -11 9 147.09 12.04 1 -11 10 242.71 16.50 1 -11 11 388.85 21.68 1 -11 12 15.84 4.75 1 -11 13 32.82 5.81 1 -11 14 0.56 2.38 1 -11 15 165.19 9.10 1 -11 16 80.66 5.21 1 -10 -8 18.35 2.52 1 -10 -7 0.00 2.11 1 -10 -6 138.07 9.26 1 -10 -5 111.46 9.74 1 -10 -4 196.46 14.36 1 -10 -4 275.90 14.21 1 -10 -3 73.24 8.68 1 -10 -3 89.05 9.09 1 -10 -2 15.96 4.50 1 -10 -2 17.18 5.19 1 -10 -1 54.23 10.47 1 -10 -1 60.91 8.59 1 -10 -1 61.21 14.94 1 -10 0 275.44 17.17 1 -10 0 279.75 22.33 1 -10 1 461.28 21.43 1 -10 1 470.11 28.06 1 -10 2 443.96 20.34 1 -10 2 487.41 27.49 1 -10 3 101.19 11.76 1 -10 3 92.01 8.25 1 -10 4 368.46 22.70 1 -10 4 349.27 16.94 1 -10 5 391.86 23.08 1 -10 5 352.97 16.88 1 -10 6 335.22 21.28 1 -10 6 331.61 16.09 1 -10 7 720.71 33.86 1 -10 7 754.86 26.87 1 -10 8 49.45 8.91 1 -10 8 69.48 6.94 1 -10 9 6.34 5.05 1 -10 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1 -6 -7 77.11 8.46 1 -6 -6 126.58 11.43 1 -6 -6 126.05 19.26 1 -6 -5 413.57 21.10 1 -6 -5 385.57 31.62 1 -6 -4 296.53 23.09 1 -6 -3 4.07 3.37 1 -6 -2 8.25 3.76 1 -6 -1 311.65 17.41 1 -6 0 531.85 22.86 1 -6 1 273.00 15.05 1 -6 2 4.94 2.64 1 -6 3 53.47 6.47 1 -6 10 521.55 23.52 1 -6 11 585.49 24.76 1 -6 12 94.92 8.94 1 -6 13 20.53 4.62 1 -6 14 42.15 5.55 1 -6 15 7.06 2.59 1 -5 -13 12.60 2.14 1 -5 -12 6.23 2.53 1 -5 -11 115.41 8.69 1 -5 -10 302.99 15.56 1 -5 -9 765.86 28.29 1 -5 -8 170.61 11.91 1 -5 -7 -1.49 3.49 1 -5 -7 7.16 5.15 1 -5 -6 66.81 13.94 1 -5 -6 70.00 7.94 1 -5 -5 576.30 36.17 1 -5 -4 525.52 29.00 1 -5 -3 545.29 25.89 1 -5 -2 161.90 11.92 1 -5 -1 104.50 8.77 1 -5 0 592.48 22.70 1 -5 1 1031.92 32.69 1 -5 2 1361.27 39.70 1 -5 10 136.56 10.73 1 -5 11 306.91 16.20 1 -5 12 432.19 19.44 1 -5 13 266.04 14.30 1 -5 14 16.43 3.80 1 -5 15 32.24 4.37 1 -4 -13 131.03 7.79 1 -4 -12 0.56 2.68 1 -4 -11 12.71 4.03 1 -4 -10 6.89 3.62 1 -4 -9 618.29 24.84 1 -4 -8 336.71 17.09 1 -4 -8 365.15 28.43 1 -4 -7 110.75 9.21 1 -4 -7 100.54 14.77 1 -4 -6 62.00 12.72 1 -4 -5 82.30 12.62 1 -4 -4 640.06 30.43 1 -4 -3 802.73 30.78 1 -4 -2 1184.48 37.17 1 -4 -1 0.86 2.16 1 -4 0 4.85 2.66 1 -4 1 374.93 15.16 1 -4 10 2.39 3.11 1 -4 11 6.13 3.38 1 -4 12 262.14 14.40 1 -4 13 173.90 11.29 1 -4 14 51.05 5.92 1 -3 -14 58.37 4.68 1 -3 -13 156.99 9.71 1 -3 -12 23.29 4.98 1 -3 -12 18.91 4.10 1 -3 -11 18.42 4.80 1 -3 -10 -0.10 3.30 1 -3 -9 122.97 9.84 1 -3 -9 122.96 16.46 1 -3 -8 300.20 15.23 1 -3 -8 311.98 24.96 1 -3 -7 342.97 25.61 1 -3 -6 389.50 28.55 1 -3 -5 192.81 18.11 1 -3 -4 282.33 17.94 1 -3 -3 822.33 29.25 1 -3 -2 1509.19 42.33 1 -3 -1 862.65 26.14 1 -3 0 284.69 11.92 1 -3 10 124.50 9.67 1 -3 11 37.27 5.48 1 -3 12 6.28 2.76 1 -2 -14 -3.59 2.73 1 -2 -14 -6.42 2.01 1 -2 -13 108.44 8.80 1 -2 -13 89.26 7.84 1 -2 -12 203.90 13.29 1 -2 -11 48.24 7.10 1 -2 -10 56.57 7.15 1 -2 -9 23.90 7.12 1 -2 -8 231.94 20.09 1 -2 -7 475.03 28.33 1 -2 -6 872.32 41.64 1 -2 -5 442.67 26.05 1 -2 -4 168.58 12.79 1 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460.90 18.77 3 -1 -3 715.67 22.39 3 -1 -2 1254.61 32.99 3 -1 -1 25.38 2.98 3 0 -16 1.93 1.58 3 0 -15 0.41 2.29 3 0 -14 62.48 6.92 3 0 -5 12.63 4.70 3 0 -5 13.49 3.31 3 0 -4 156.44 10.65 3 0 -4 162.44 7.74 3 0 -3 227.95 9.27 3 0 -2 864.66 21.71 3 0 -1 643.16 17.27 3 1 -16 83.95 6.07 3 1 -15 47.71 5.65 3 2 -16 62.50 5.56 3 3 -17 15.74 2.83 3 3 -16 80.18 6.40 4 -16 1 47.35 4.27 4 -16 2 47.04 4.61 4 -16 3 169.77 8.65 4 -16 4 119.10 6.87 4 -16 5 6.78 1.76 4 -16 6 17.13 3.33 4 -16 7 57.76 5.24 4 -16 8 107.77 7.24 4 -16 9 93.15 6.51 4 -16 10 63.41 4.76 4 -15 -1 166.10 8.61 4 -15 0 27.22 4.34 4 -15 1 8.43 3.18 4 -15 2 4.90 3.26 4 -15 3 154.37 9.32 4 -15 4 224.16 11.08 4 -15 5 128.83 7.85 4 -15 7 0.22 2.26 4 -15 8 49.86 5.73 4 -15 9 167.50 10.40 4 -15 10 220.03 11.70 4 -15 11 96.59 6.60 4 -14 -3 2.04 1.78 4 -14 -2 2.03 2.31 4 -14 -1 97.89 8.71 4 -14 0 220.28 13.78 4 -14 1 92.03 8.77 4 -14 2 36.10 5.43 4 -14 3 9.48 3.52 4 -14 4 46.67 5.51 4 -14 5 187.25 10.72 4 -14 8 9.03 3.80 4 -14 9 13.96 4.12 4 -14 10 168.81 11.39 4 -14 11 160.37 10.15 4 -14 12 62.63 5.22 4 -13 -5 192.13 8.06 4 -13 -4 77.92 6.08 4 -13 -3 12.62 3.51 4 -13 -2 102.02 9.91 4 -13 -1 28.96 6.74 4 -13 0 317.99 18.47 4 -13 1 145.72 11.55 4 -13 2 360.98 17.85 4 -13 3 103.89 9.00 4 -13 4 4.97 3.24 4 -13 5 80.18 7.38 4 -13 9 21.65 5.04 4 -13 10 87.22 8.75 4 -13 11 104.82 8.86 4 -13 12 174.02 9.71 4 -13 13 142.06 7.11 4 -12 -6 8.39 2.25 4 -12 -5 11.84 3.14 4 -12 -4 188.07 11.93 4 -12 -3 253.10 16.04 4 -12 -2 134.83 13.11 4 -12 -1 3.21 4.89 4 -12 0 4.15 4.85 4 -12 1 148.99 11.88 4 -12 2 420.48 19.99 4 -12 3 255.82 14.63 4 -12 4 122.60 9.83 4 -12 9 363.64 18.43 4 -12 10 0.85 3.38 4 -12 11 0.75 2.74 4 -12 12 108.80 8.08 4 -12 13 211.57 9.55 4 -11 -7 113.45 6.82 4 -11 -6 33.78 4.60 4 -11 -5 10.31 3.83 4 -11 -4 7.71 4.49 4 -11 -3 83.31 10.90 4 -11 -2 392.20 23.42 4 -11 -1 481.66 24.98 4 -11 0 12.40 4.36 4 -11 1 5.99 3.49 4 -11 2 88.85 9.14 4 -11 3 246.16 14.43 4 -11 9 586.11 24.81 4 -11 10 170.49 12.71 4 -11 11 36.28 6.09 4 -11 12 -0.23 2.37 4 -11 13 136.97 7.63 4 -10 -8 50.56 4.95 4 -10 -7 215.85 11.65 4 -10 -6 422.64 18.96 4 -10 -5 125.48 10.84 4 -10 -4 6.71 4.72 4 -10 -3 1.54 4.78 4 -10 -2 410.75 23.98 4 -10 -1 657.31 29.23 4 -10 0 301.13 23.26 4 -10 0 292.81 16.97 4 -10 1 162.41 16.74 4 -10 1 143.62 11.19 4 -10 2 30.95 8.11 4 -10 2 28.40 4.99 4 -10 3 253.85 21.29 4 -10 3 228.44 13.56 4 -10 4 371.22 26.35 4 -10 5 803.21 40.46 4 -10 6 86.22 12.72 4 -10 9 271.06 16.10 4 -10 10 259.35 16.17 4 -10 11 122.51 10.43 4 -10 12 53.55 5.95 4 -9 -9 59.83 5.23 4 -9 -8 10.93 3.26 4 -9 -7 26.75 5.02 4 -9 -6 312.71 17.35 4 -9 -2 29.16 7.19 4 -9 -1 194.53 17.67 4 -9 0 999.84 43.00 4 -9 0 941.11 33.77 4 -9 1 905.05 40.29 4 -9 1 845.10 30.14 4 -9 2 102.89 12.69 4 -9 3 17.84 6.04 4 -9 4 58.21 9.51 4 -9 5 395.34 25.87 4 -9 6 287.30 22.29 4 -9 7 253.71 21.89 4 -9 9 66.00 8.18 4 -9 10 121.42 11.38 4 -9 11 214.06 13.49 4 -9 12 307.61 14.17 4 -8 -10 148.03 8.16 4 -8 -9 46.28 5.51 4 -8 -4 507.28 33.53 4 -8 -3 519.51 31.39 4 -8 -2 1.05 2.83 4 -8 -1 24.17 5.86 4 -8 0 91.95 11.35 4 -8 1 732.53 33.92 4 -8 2 691.44 33.04 4 -8 3 221.26 17.64 4 -8 4 16.71 5.16 4 -8 5 188.84 16.80 4 -8 8 250.60 15.01 4 -8 9 14.49 4.71 4 -8 10 15.19 4.80 4 -7 -11 1.57 1.67 4 -7 -10 11.98 3.10 4 -7 -10 11.73 3.09 4 -7 -9 100.46 8.01 4 -7 -8 246.85 13.94 4 -7 -5 13.51 6.13 4 -7 -4 211.91 19.52 4 -7 -3 863.86 39.61 4 -7 -2 682.89 32.72 4 -7 -1 150.53 13.89 4 -7 0 62.52 8.50 4 -7 1 397.49 22.48 4 -7 2 464.69 24.55 4 -7 3 516.26 26.60 4 -7 4 266.63 18.94 4 -7 8 687.19 27.16 4 -6 -12 52.30 4.70 4 -6 -11 150.67 9.39 4 -6 -11 175.38 10.06 4 -6 -10 7.62 3.05 4 -6 -9 41.45 5.75 4 -6 -8 100.79 9.02 4 -6 -7 272.16 15.46 4 -6 -6 87.39 14.29 4 -6 -5 86.43 12.79 4 -6 -4 6.81 3.95 4 -6 -3 534.90 27.74 4 -6 -2 406.09 22.69 4 -6 -1 204.86 15.05 4 -6 0 707.45 30.06 4 -6 1 101.27 10.08 4 -6 2 237.19 15.94 4 -5 -13 52.52 4.59 4 -5 -12 63.50 6.17 4 -5 -11 134.03 9.85 4 -5 -10 40.78 5.77 4 -5 -9 5.66 3.10 4 -5 -8 90.39 8.55 4 -5 -7 293.65 28.70 4 -5 -6 89.27 13.59 4 -5 -5 101.69 12.35 4 -5 -4 132.96 12.57 4 -5 -3 555.21 26.19 4 -5 -2 231.12 15.33 4 -5 -1 732.21 29.47 4 -5 0 1422.26 45.83 4 -5 1 364.49 18.92 4 -4 -14 12.27 2.34 4 -4 -13 13.60 3.24 4 -4 -12 35.48 5.36 4 -4 -11 86.90 8.64 4 -4 -10 266.69 14.85 4 -4 -8 0.47 4.34 4 -4 -7 216.62 23.29 4 -4 -6 213.79 19.87 4 -4 -5 320.08 21.02 4 -4 -4 572.92 26.25 4 -4 -3 96.36 9.32 4 -4 -2 33.46 5.39 4 -4 -1 315.66 16.55 4 -4 0 585.18 23.73 4 -4 1 923.60 32.52 4 -3 -14 129.69 7.73 4 -3 -13 8.82 3.33 4 -3 -12 8.09 3.73 4 -3 -7 2.85 4.60 4 -3 -6 170.77 17.34 4 -3 -5 418.52 23.19 4 -3 -4 720.37 28.31 4 -3 -3 265.20 14.45 4 -3 -2 25.96 4.43 4 -3 -1 150.91 10.13 4 -3 0 323.64 15.40 4 -2 -15 111.36 6.35 4 -2 -14 114.24 8.10 4 -2 -13 97.31 8.54 4 -2 -7 354.55 25.80 4 -2 -6 280.67 21.37 4 -2 -5 63.64 8.49 4 -2 -4 489.16 21.00 4 -2 -3 327.11 14.99 4 -2 -2 819.00 26.30 4 -2 -1 145.04 8.89 4 -2 0 107.72 7.86 4 -1 -15 7.11 2.45 4 -1 -14 40.96 5.38 4 -1 -6 180.77 15.05 4 -1 -5 6.33 3.97 4 -1 -4 152.79 9.92 4 -1 -3 76.73 5.82 4 -1 -2 469.45 16.00 4 -1 -1 696.24 21.49 4 0 -16 46.84 3.98 4 0 -15 26.72 4.12 4 1 -16 131.17 7.31 4 2 -16 62.26 5.39 5 -16 6 11.50 2.41 5 -16 7 2.71 2.00 5 -16 8 67.01 5.12 5 -15 -1 24.51 3.47 5 -15 0 115.68 7.73 5 -15 1 128.29 8.16 5 -15 2 62.01 5.45 5 -15 3 1.94 1.85 5 -15 7 158.70 9.34 5 -15 8 5.67 2.51 5 -15 9 39.03 4.75 5 -15 10 81.03 5.83 5 -14 -3 53.95 4.68 5 -14 -2 8.08 3.05 5 -14 -1 3.91 3.13 5 -14 0 82.43 7.91 5 -14 1 248.08 13.26 5 -14 2 101.31 7.77 5 -14 3 166.42 9.65 5 -14 8 123.33 9.08 5 -14 9 9.92 3.36 5 -14 10 4.15 2.64 5 -14 11 89.28 6.01 5 -13 -5 0.67 1.38 5 -13 -4 268.74 12.11 5 -13 -3 152.46 10.47 5 -13 -2 79.70 8.70 5 -13 -1 57.94 7.69 5 -13 0 83.84 8.75 5 -13 1 56.34 6.86 5 -13 2 330.53 15.83 5 -13 3 424.09 17.96 5 -13 8 162.31 11.08 5 -13 9 183.27 11.77 5 -13 10 12.57 3.66 5 -13 11 39.14 4.60 5 -12 -6 59.74 4.89 5 -12 -5 2.14 2.51 5 -12 -4 17.62 4.59 5 -12 -3 139.33 11.96 5 -12 -2 233.72 16.47 5 -12 -1 272.98 17.28 5 -12 0 239.35 15.27 5 -12 1 6.18 3.87 5 -12 2 520.04 21.68 5 -12 3 156.97 10.63 5 -12 8 307.01 15.93 5 -12 9 299.41 15.86 5 -12 10 159.97 11.00 5 -12 11 67.00 6.21 5 -11 -7 77.92 5.94 5 -11 -6 147.27 9.54 5 -11 -5 122.89 10.07 5 -11 -4 1.31 4.72 5 -11 -3 11.69 5.83 5 -11 -2 56.65 9.13 5 -11 -1 26.85 6.54 5 -11 0 92.57 9.61 5 -11 1 62.23 7.50 5 -11 2 16.35 4.69 5 -11 8 27.24 5.01 5 -11 9 145.14 11.07 5 -11 10 223.58 13.47 5 -11 11 111.78 7.94 5 -10 -8 0.35 1.93 5 -10 -7 15.24 3.84 5 -10 -6 98.49 9.29 5 -10 -5 279.13 17.49 5 -10 -4 77.58 10.67 5 -10 -3 15.92 7.02 5 -10 -2 63.16 9.79 5 -10 -1 162.56 13.32 5 -10 0 0.63 4.00 5 -10 1 275.11 15.49 5 -10 8 76.68 7.98 5 -10 9 50.10 6.66 5 -10 10 161.97 11.34 5 -9 -9 206.15 10.43 5 -9 -8 38.96 5.64 5 -9 -7 49.95 6.62 5 -9 -1 28.76 7.73 5 -9 0 59.73 9.79 5 -9 0 67.15 7.69 5 -9 1 432.71 27.28 5 -9 1 391.79 18.73 5 -9 2 248.77 20.43 5 -9 3 146.87 15.81 5 -9 4 188.25 18.03 5 -9 5 239.21 20.30 5 -9 8 232.21 14.13 5 -9 9 46.18 6.68 5 -8 -10 46.34 4.99 5 -8 -9 84.39 7.58 5 -8 -3 596.88 34.11 5 -8 -2 584.59 32.42 5 -8 -1 34.61 7.32 5 -8 0 69.56 10.22 5 -8 1 91.99 11.80 5 -8 2 669.25 33.97 5 -8 3 147.83 14.79 5 -8 4 147.44 15.18 5 -8 5 144.53 15.34 5 -8 6 85.44 12.82 5 -7 -11 19.32 3.40 5 -7 -5 -3.23 4.58 5 -7 -4 1.51 2.51 5 -7 -3 194.12 17.59 5 -7 -2 598.79 31.08 5 -7 -1 387.62 23.78 5 -7 0 316.67 21.05 5 -7 1 -5.35 3.39 5 -7 2 191.05 16.21 5 -7 3 324.01 21.67 5 -7 4 817.39 37.63 5 -6 -11 132.40 7.87 5 -6 -10 81.05 6.81 5 -6 -6 409.13 32.13 5 -6 -5 177.11 17.93 5 -6 -4 109.28 12.97 5 -6 -3 10.97 4.92 5 -6 -2 316.16 20.27 5 -6 -1 428.09 23.79 5 -6 0 188.78 15.17 5 -6 1 166.41 14.28 5 -6 2 5.49 3.74 5 -6 3 19.27 5.34 5 -5 -12 67.52 5.69 5 -5 -11 121.92 8.55 5 -5 -10 82.32 7.53 5 -5 -9 97.64 8.48 5 -5 -6 219.20 22.49 5 -5 -5 329.03 23.47 5 -5 -4 173.31 15.19 5 -5 -3 119.59 11.91 5 -5 -2 38.83 6.71 5 -5 -1 572.91 26.59 5 -5 0 1320.12 45.90 5 -5 1 361.91 20.54 5 -5 2 107.17 10.96 5 -4 -13 11.20 2.60 5 -4 -12 6.52 2.87 5 -4 -11 1.62 2.62 5 -4 -5 312.57 21.10 5 -4 -4 676.58 29.83 5 -4 -3 551.90 25.06 5 -4 -2 319.42 17.60 5 -4 -1 4.12 2.57 5 -4 0 408.46 20.57 5 -4 1 668.81 28.16 5 -3 -14 101.11 6.30 5 -3 -13 213.04 11.25 5 -3 -12 132.65 9.85 5 -3 -2 465.26 20.15 5 -3 -1 330.54 16.51 5 -3 0 51.57 6.44 5 -3 1 109.48 9.75 5 -2 -14 70.64 5.86 5 -2 -13 63.47 6.64 5 -1 -15 29.68 3.52 5 -1 -14 1.07 2.25 5 0 -15 95.99 6.60 5 1 -16 19.67 2.84 5 2 -16 -1.27 2.06 6 -15 6 101.93 6.67 6 -15 7 172.03 8.79 6 -15 8 80.26 5.60 6 -14 -2 29.71 3.93 6 -14 -1 12.35 3.34 6 -14 0 6.40 2.61 6 -14 1 50.71 5.11 6 -14 7 187.61 10.28 6 -14 8 134.96 8.55 6 -14 9 100.52 6.75 6 -13 -4 9.12 2.57 6 -13 -3 123.66 8.78 6 -13 -2 65.41 7.17 6 -13 -1 117.42 9.46 6 -13 0 84.26 7.61 6 -13 1 14.09 3.48 6 -13 8 143.95 9.52 6 -13 9 108.04 7.91 6 -12 -6 75.40 5.19 6 -12 -5 74.70 6.40 6 -12 -4 18.89 4.55 6 -12 -3 3.92 3.95 6 -12 -2 71.98 8.46 6 -12 -1 240.87 14.59 6 -12 0 213.41 12.93 6 -12 1 95.65 8.05 6 -12 8 18.61 4.02 6 -12 9 75.47 6.98 6 -11 -7 18.34 3.03 6 -11 -6 32.45 4.70 6 -11 -5 248.72 14.23 6 -11 -4 150.70 12.51 6 -11 -3 2.73 4.57 6 -11 -2 -3.19 4.27 6 -11 -1 135.31 11.35 6 -11 0 202.33 12.91 6 -11 8 30.43 4.80 6 -10 -8 30.31 4.00 6 -10 -7 3.32 2.99 6 -10 -6 1.01 3.62 6 -10 -5 248.60 16.18 6 -10 -4 295.46 19.36 6 -10 -3 88.73 11.24 6 -10 -2 26.19 6.66 6 -10 -1 9.71 3.88 6 -10 0 136.75 10.72 6 -10 7 390.91 17.68 6 -9 -9 235.03 10.94 6 -9 -8 182.57 10.81 6 -8 -10 1.92 2.06 6 -8 -2 532.50 31.85 6 -8 -1 628.08 34.19 6 -8 0 107.57 13.37 6 -8 1 107.80 13.15 6 -8 2 233.27 19.99 6 -8 3 320.46 23.89 6 -7 -11 83.49 6.08 6 -7 -2 309.07 22.58 6 -7 -1 435.03 26.63 6 -7 0 619.05 32.65 6 -7 1 112.10 13.10 6 -7 2 2.52 3.35 6 -7 3 17.77 6.17 6 -7 4 597.31 32.83 6 -6 -12 2.71 1.66 6 -6 0 630.40 31.27 6 -6 1 709.83 34.03 6 -6 2 267.92 19.66 6 -6 3 0.18 1.70 6 -6 4 26.62 6.35 6 -4 -12 44.94 4.60 6 -4 -11 -0.23 2.22 6 -3 -13 22.79 3.36 6 -3 -12 188.19 10.36 6 -2 -14 -1.55 1.71 6 -2 -13 86.10 6.68 6 -1 -14 69.50 5.59 6 0 -15 81.69 5.44 7 -14 6 -0.01 1.88 7 -13 -3 4.86 2.23 7 -13 -2 41.65 4.77 7 -13 -1 134.20 8.05 7 -13 6 84.81 6.34 7 -13 7 29.73 3.75 7 -12 -5 89.18 6.02 7 -12 -4 242.01 12.07 7 -12 -3 92.84 8.02 7 -12 -2 1.11 2.55 7 -12 -1 110.80 8.26 7 -12 6 225.62 11.52 7 -11 -7 9.75 2.01 7 -11 -6 5.66 2.63 7 -11 -5 49.61 5.87 7 -11 -4 79.72 8.14 7 -11 -3 156.56 11.62 7 -11 -2 240.10 13.95 7 -11 -1 10.67 3.26 7 -10 -8 110.92 6.28 7 -10 -7 70.00 5.96 7 -10 -6 2.73 3.28 7 -10 -5 26.26 5.66 7 -10 -4 22.09 5.61 7 -10 -3 26.58 6.17 7 -10 -2 189.83 12.86 7 -9 -9 -4.60 1.98 7 -9 -8 138.82 8.60 7 -9 -7 144.76 10.12 7 -8 -10 49.06 4.30 7 -7 -11 63.14 4.65 8 -11 -5 3.83 2.10 8 -11 -4 39.28 4.70 8 -11 -3 90.80 6.89 8 -10 -6 32.06 4.14 8 -10 -5 7.20 3.16 8 -10 -4 4.26 2.69 8 -10 -3 66.11 6.34 8 -9 -8 -0.01 1.81 8 -9 -7 152.74 9.11 8 -9 -6 179.71 11.42 8 -9 -5 118.35 9.79 8 -9 -4 70.78 7.52 8 -8 -9 68.18 5.05 8 -7 -10 31.47 3.38 9 -7 -8 141.08 7.95 TITL zjing24CuLT in P1 REM P1 (#1 in standard setting) CELL 1.54184 8.735860 13.613862 13.995702 111.8214 100.1218 103.2965 ZERR 6.00 0.000421 0.000811 0.000764 0.0053 0.0043 0.0046 LATT -1 SFAC C H N O UNIT 66.00 60.00 6.00 6.00 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2014/4 (Sheldrick, 2014)' ; _shelx_hkl_checksum 90345 _olex2_submission_special_instructions 'No special instructions were received' 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 Au1 Au 0.11361(2) 0.60344(2) 0.40817(2) 0.01932(8) Uani 1 1 d . . . . . S1 S 0.76063(17) 0.48609(11) 0.86978(11) 0.0282(3) Uani 1 1 d . . . . . F1 F -0.1732(4) 0.5300(3) 0.1973(3) 0.0286(7) Uani 1 1 d . . . . . F2 F -0.3308(4) 0.6469(3) 0.1256(3) 0.0355(8) Uani 1 1 d . . . . . F3 F -0.2265(4) 0.8751(3) 0.2302(3) 0.0328(7) Uani 1 1 d . . . . . F4 F 0.0358(4) 0.9828(3) 0.4076(3) 0.0297(7) Uani 1 1 d . . . . . F5 F 0.1792(4) 0.8659(3) 0.4902(3) 0.0280(7) Uani 1 1 d . . . . . N1 N 0.7717(5) -0.1230(4) 0.8308(4) 0.0199(9) Uani 1 1 d . . . . . N2 N 0.7386(5) 0.3557(3) 0.8380(4) 0.0205(9) Uani 1 1 d . . . . . N3 N 0.6297(5) 0.4766(4) 0.7666(4) 0.0222(9) Uani 1 1 d . . . . . N4 N 0.2195(5) 0.5113(3) 0.4692(4) 0.0187(8) Uani 1 1 d . . . . . C18 C 0.8355(6) 0.0583(4) 0.8219(4) 0.0170(9) Uani 1 1 d . . . . . H18 H 0.945505 0.079633 0.864283 0.020 Uiso 1 1 calc R . . . . C1 C 0.6529(6) -0.0776(4) 0.9807(4) 0.0191(10) Uani 1 1 d . . . . . H1 H 0.701474 -0.000402 0.999674 0.023 Uiso 1 1 calc R . . . . C2 C 0.5596(6) -0.1108(5) 1.0416(4) 0.0232(11) Uani 1 1 d . . . . . H2 H 0.544428 -0.055956 1.101874 0.028 Uiso 1 1 calc R . . . . C3 C 0.4893(6) -0.2228(5) 1.0147(4) 0.0232(11) Uani 1 1 d . . . . . H3 H 0.425698 -0.245020 1.056093 0.028 Uiso 1 1 calc R . . . . C4 C 0.5120(6) -0.3027(4) 0.9270(4) 0.0213(10) Uani 1 1 d . . . . . H4 H 0.465595 -0.379834 0.909220 0.026 Uiso 1 1 calc R . . . . C5 C 0.6025(6) -0.2706(4) 0.8649(4) 0.0191(10) Uani 1 1 d . . . . . H5 H 0.615230 -0.325730 0.803718 0.023 Uiso 1 1 calc R . . . . C6 C 0.6743(6) -0.1577(4) 0.8926(4) 0.0178(10) Uani 1 1 d . . . . . C8 C 0.9754(6) -0.2030(4) 0.8835(4) 0.0188(10) Uani 1 1 d . . . . . H8 H 0.921995 -0.215242 0.933547 0.023 Uiso 1 1 calc R . . . . C9 C 1.1131(6) -0.2364(4) 0.8717(4) 0.0228(11) Uani 1 1 d . . . . . H9 H 1.152872 -0.271498 0.913446 0.027 Uiso 1 1 calc R . . . . C10 C 1.1918(6) -0.2182(4) 0.7992(4) 0.0221(10) Uani 1 1 d . . . . . H10 H 1.284958 -0.241476 0.790391 0.026 Uiso 1 1 calc R . . . . C11 C 1.1335(6) -0.1659(4) 0.7393(4) 0.0213(10) Uani 1 1 d . . . . . H11 H 1.189125 -0.151595 0.690892 0.026 Uiso 1 1 calc R . . . . C12 C 0.9960(6) -0.1344(4) 0.7494(4) 0.0201(10) Uani 1 1 d . . . . . H12 H 0.955750 -0.100655 0.706382 0.024 Uiso 1 1 calc R . . . . C7 C 0.9154(6) -0.1517(4) 0.8224(4) 0.0174(10) Uani 1 1 d . . . . . C13 C 0.7282(6) -0.0468(4) 0.7943(4) 0.0194(10) Uani 1 1 d . . . . . C14 C 0.5675(6) -0.0787(4) 0.7277(4) 0.0179(10) Uani 1 1 d . . . . . H14 H 0.493307 -0.151400 0.705763 0.021 Uiso 1 1 calc R . . . . C15 C 0.5178(6) -0.0048(4) 0.6942(4) 0.0169(9) Uani 1 1 d . . . . . H15 H 0.408227 -0.027032 0.650770 0.020 Uiso 1 1 calc R . . . . C16 C 0.6237(6) 0.1015(4) 0.7224(4) 0.0178(10) Uani 1 1 d . . . . . C17 C 0.7849(6) 0.1333(4) 0.7886(4) 0.0191(10) Uani 1 1 d . . . . . H17 H 0.859062 0.205946 0.810516 0.023 Uiso 1 1 calc R . . . . C19 C 0.5672(5) 0.1775(4) 0.6828(4) 0.0156(9) Uani 1 1 d . . . . . C20 C 0.4510(6) 0.1371(4) 0.5850(4) 0.0184(10) Uani 1 1 d . . . . . H20 H 0.410024 0.058506 0.542503 0.022 Uiso 1 1 calc R . . . . C21 C 0.3891(6) 0.2051(4) 0.5439(4) 0.0189(10) Uani 1 1 d . . . . . H21 H 0.308405 0.170243 0.475929 0.023 Uiso 1 1 calc R . . . . C22 C 0.4417(6) 0.3206(4) 0.5990(4) 0.0175(10) Uani 1 1 d . . . . . C23 C 0.5625(6) 0.3670(4) 0.7011(4) 0.0184(10) Uani 1 1 d . . . . . C24 C 0.6257(6) 0.2975(4) 0.7420(4) 0.0181(10) Uani 1 1 d . . . . . C28 C 0.2682(6) 0.5426(4) 0.5761(4) 0.0189(10) Uani 1 1 d . . . . . H28 H 0.249923 0.607403 0.622541 0.023 Uiso 1 1 calc R . . . . C29 C 0.3433(6) 0.4851(4) 0.6211(4) 0.0194(10) Uani 1 1 d . . . . . H29 H 0.377003 0.511172 0.697005 0.023 Uiso 1 1 calc R . . . . C25 C 0.3696(6) 0.3890(4) 0.5556(4) 0.0183(10) Uani 1 1 d . . . . . C26 C 0.3190(6) 0.3564(4) 0.4453(4) 0.0203(10) Uani 1 1 d . . . . . H26 H 0.335613 0.291550 0.397456 0.024 Uiso 1 1 calc R . . . . C27 C 0.2455(6) 0.4171(4) 0.4055(4) 0.0219(10) Uani 1 1 d . . . . . H27 H 0.210966 0.392267 0.329827 0.026 Uiso 1 1 calc R . . . . C31 C -0.1213(6) 0.6422(4) 0.2544(4) 0.0208(10) Uani 1 1 d . . . . . C32 C -0.2039(6) 0.7009(5) 0.2152(4) 0.0227(11) Uani 1 1 d . . . . . C33 C -0.1517(6) 0.8163(5) 0.2687(4) 0.0226(11) Uani 1 1 d . . . . . C34 C -0.0212(6) 0.8704(4) 0.3606(4) 0.0218(10) Uani 1 1 d . . . . . C35 C 0.0542(6) 0.8093(4) 0.4002(4) 0.0201(10) Uani 1 1 d . . . . . C30 C 0.0091(6) 0.6926(4) 0.3497(4) 0.0174(10) 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 Au1 0.01741(12) 0.02084(12) 0.02476(12) 0.01346(9) 0.00588(8) 0.00916(8) S1 0.0335(7) 0.0169(6) 0.0267(7) 0.0066(5) -0.0037(6) 0.0091(5) F1 0.0269(16) 0.0217(16) 0.0292(17) 0.0088(14) 0.0001(13) 0.0035(13) F2 0.0250(16) 0.044(2) 0.0327(18) 0.0190(16) -0.0052(14) 0.0076(15) F3 0.0351(17) 0.0395(19) 0.0393(19) 0.0263(16) 0.0107(15) 0.0237(15) F4 0.0433(19) 0.0197(16) 0.0311(17) 0.0122(14) 0.0146(15) 0.0141(14) F5 0.0270(16) 0.0234(16) 0.0264(16) 0.0097(13) -0.0025(13) 0.0047(13) N1 0.022(2) 0.022(2) 0.027(2) 0.0158(19) 0.0143(19) 0.0127(18) N2 0.026(2) 0.016(2) 0.020(2) 0.0073(17) 0.0030(18) 0.0097(17) N3 0.022(2) 0.018(2) 0.020(2) 0.0045(18) 0.0007(18) 0.0054(17) N4 0.0148(19) 0.018(2) 0.026(2) 0.0112(18) 0.0070(17) 0.0064(16) C18 0.014(2) 0.017(2) 0.018(2) 0.0067(19) 0.0029(19) 0.0046(18) C1 0.017(2) 0.018(2) 0.020(2) 0.007(2) 0.0040(19) 0.0078(19) C2 0.024(3) 0.033(3) 0.018(2) 0.012(2) 0.008(2) 0.016(2) C3 0.019(2) 0.035(3) 0.026(3) 0.021(2) 0.008(2) 0.013(2) C4 0.018(2) 0.018(2) 0.024(3) 0.009(2) 0.001(2) 0.0022(19) C5 0.018(2) 0.023(3) 0.019(2) 0.009(2) 0.0060(19) 0.010(2) C6 0.014(2) 0.022(2) 0.023(2) 0.014(2) 0.0047(19) 0.0087(19) C8 0.018(2) 0.021(2) 0.020(2) 0.010(2) 0.007(2) 0.0081(19) C9 0.017(2) 0.019(3) 0.027(3) 0.006(2) 0.000(2) 0.008(2) C10 0.016(2) 0.023(3) 0.031(3) 0.012(2) 0.008(2) 0.010(2) C11 0.020(2) 0.023(3) 0.025(3) 0.011(2) 0.012(2) 0.009(2) C12 0.017(2) 0.022(3) 0.023(2) 0.010(2) 0.007(2) 0.006(2) C7 0.012(2) 0.013(2) 0.020(2) 0.0026(19) 0.0006(19) 0.0020(18) C13 0.018(2) 0.024(3) 0.021(2) 0.011(2) 0.009(2) 0.012(2) C14 0.018(2) 0.015(2) 0.023(2) 0.010(2) 0.008(2) 0.0043(19) C15 0.017(2) 0.018(2) 0.019(2) 0.009(2) 0.0082(19) 0.0079(19) C16 0.022(2) 0.012(2) 0.019(2) 0.0021(19) 0.010(2) 0.0080(19) C17 0.023(2) 0.019(2) 0.021(2) 0.011(2) 0.011(2) 0.010(2) C19 0.011(2) 0.020(2) 0.020(2) 0.009(2) 0.0053(18) 0.0086(18) C20 0.017(2) 0.019(2) 0.022(2) 0.009(2) 0.007(2) 0.0084(19) C21 0.019(2) 0.023(3) 0.016(2) 0.008(2) 0.0059(19) 0.008(2) C22 0.016(2) 0.022(2) 0.022(2) 0.014(2) 0.011(2) 0.0099(19) C23 0.019(2) 0.020(2) 0.021(2) 0.010(2) 0.012(2) 0.009(2) C24 0.019(2) 0.020(2) 0.020(2) 0.010(2) 0.010(2) 0.010(2) C28 0.022(2) 0.017(2) 0.018(2) 0.008(2) 0.005(2) 0.008(2) C29 0.020(2) 0.021(3) 0.019(2) 0.009(2) 0.005(2) 0.010(2) C25 0.012(2) 0.021(2) 0.023(2) 0.011(2) 0.0033(19) 0.0045(19) C26 0.022(2) 0.020(2) 0.026(3) 0.012(2) 0.011(2) 0.012(2) C27 0.027(3) 0.024(3) 0.021(2) 0.013(2) 0.009(2) 0.012(2) C31 0.017(2) 0.022(3) 0.025(3) 0.012(2) 0.005(2) 0.007(2) C32 0.013(2) 0.033(3) 0.023(3) 0.015(2) 0.002(2) 0.007(2) C33 0.019(2) 0.035(3) 0.029(3) 0.023(2) 0.012(2) 0.017(2) C34 0.024(3) 0.023(3) 0.024(3) 0.012(2) 0.014(2) 0.011(2) C35 0.016(2) 0.024(3) 0.022(2) 0.012(2) 0.006(2) 0.007(2) C30 0.016(2) 0.022(3) 0.020(2) 0.011(2) 0.007(2) 0.0103(19) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 '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' Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C30 Au1 N4 179.40(17) . . ? N2 S1 N3 100.9(2) . . ? C7 N1 C6 120.4(4) . . ? C7 N1 C13 122.9(4) . . ? C13 N1 C6 116.0(4) . . ? C24 N2 S1 106.6(3) . . ? C23 N3 S1 106.0(4) . . ? C28 N4 Au1 121.0(3) . . ? C28 N4 C27 116.5(4) . . ? C27 N4 Au1 122.5(4) . . ? C13 C18 H18 119.4 . . ? C13 C18 C17 121.2(5) . . ? C17 C18 H18 119.4 . . ? C2 C1 H1 120.1 . . ? C6 C1 H1 120.1 . . ? C6 C1 C2 119.7(5) . . ? C1 C2 H2 119.8 . . ? C3 C2 C1 120.4(5) . . ? C3 C2 H2 119.8 . . ? C2 C3 H3 120.1 . . ? C2 C3 C4 119.7(5) . . ? C4 C3 H3 120.1 . . ? C3 C4 H4 119.8 . . ? C3 C4 C5 120.3(5) . . ? C5 C4 H4 119.8 . . ? C4 C5 H5 120.1 . . ? C6 C5 C4 119.9(5) . . ? C6 C5 H5 120.1 . . ? C1 C6 N1 119.5(4) . . ? C1 C6 C5 119.9(5) . . ? C5 C6 N1 120.6(5) . . ? C9 C8 H8 119.7 . . ? C7 C8 H8 119.7 . . ? C7 C8 C9 120.6(5) . . ? C8 C9 H9 120.1 . . ? C10 C9 C8 119.9(5) . . ? C10 C9 H9 120.1 . . ? C9 C10 H10 120.2 . . ? C9 C10 C11 119.6(5) . . ? C11 C10 H10 120.2 . . ? C10 C11 H11 119.7 . . ? C12 C11 C10 120.7(5) . . ? C12 C11 H11 119.7 . . ? C11 C12 H12 119.8 . . ? C11 C12 C7 120.5(5) . . ? C7 C12 H12 119.8 . . ? C8 C7 N1 120.4(4) . . ? C8 C7 C12 118.7(4) . . ? C12 C7 N1 120.8(5) . . ? C18 C13 N1 123.0(5) . . ? C18 C13 C14 118.6(5) . . ? C14 C13 N1 118.3(5) . . ? C13 C14 H14 119.9 . . ? C15 C14 C13 120.2(4) . . ? C15 C14 H14 119.9 . . ? C14 C15 H15 119.1 . . ? C14 C15 C16 121.8(5) . . ? C16 C15 H15 119.1 . . ? C15 C16 C17 118.0(5) . . ? C15 C16 C19 120.2(5) . . ? C17 C16 C19 121.7(4) . . ? C18 C17 C16 120.2(5) . . ? C18 C17 H17 119.9 . . ? C16 C17 H17 119.9 . . ? C20 C19 C16 121.5(4) . . ? C20 C19 C24 114.8(4) . . ? C24 C19 C16 123.7(4) . . ? C19 C20 H20 117.9 . . ? C19 C20 C21 124.2(5) . . ? C21 C20 H20 117.9 . . ? C20 C21 H21 118.7 . . ? C22 C21 C20 122.5(5) . . ? C22 C21 H21 118.7 . . ? C21 C22 C23 115.6(4) . . ? C21 C22 C25 121.1(5) . . ? C23 C22 C25 123.2(5) . . ? N3 C23 C22 124.9(5) . . ? N3 C23 C24 113.5(5) . . ? C22 C23 C24 121.6(5) . . ? N2 C24 C19 125.6(5) . . ? N2 C24 C23 113.1(4) . . ? C23 C24 C19 121.3(5) . . ? N4 C28 H28 118.4 . . ? N4 C28 C29 123.2(5) . . ? C29 C28 H28 118.4 . . ? C28 C29 H29 120.0 . . ? C28 C29 C25 120.0(5) . . ? C25 C29 H29 120.0 . . ? C29 C25 C22 122.4(5) . . ? C29 C25 C26 117.0(5) . . ? C26 C25 C22 120.6(5) . . ? C25 C26 H26 119.8 . . ? C27 C26 C25 120.3(5) . . ? C27 C26 H26 119.8 . . ? N4 C27 C26 123.0(5) . . ? N4 C27 H27 118.5 . . ? C26 C27 H27 118.5 . . ? F1 C31 C32 116.9(5) . . ? F1 C31 C30 119.5(4) . . ? C32 C31 C30 123.7(5) . . ? F2 C32 C31 120.5(5) . . ? F2 C32 C33 120.5(5) . . ? C33 C32 C31 119.1(5) . . ? F3 C33 C32 120.1(5) . . ? F3 C33 C34 120.2(5) . . ? C34 C33 C32 119.7(5) . . ? F4 C34 C33 119.1(5) . . ? F4 C34 C35 121.0(5) . . ? C33 C34 C35 119.9(5) . . ? F5 C35 C34 117.4(5) . . ? F5 C35 C30 119.0(5) . . ? C34 C35 C30 123.5(5) . . ? C31 C30 Au1 122.1(4) . . ? C35 C30 Au1 123.8(4) . . ? C35 C30 C31 114.1(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 Au1 N4 2.053(4) . ? Au1 C30 1.991(5) . ? S1 N2 1.616(4) . ? S1 N3 1.620(4) . ? F1 C31 1.351(6) . ? F2 C32 1.339(6) . ? F3 C33 1.341(6) . ? F4 C34 1.345(6) . ? F5 C35 1.335(6) . ? N1 C6 1.439(6) . ? N1 C7 1.409(6) . ? N1 C13 1.410(7) . ? N2 C24 1.338(7) . ? N3 C23 1.343(7) . ? N4 C28 1.348(7) . ? N4 C27 1.359(7) . ? C18 H18 0.9500 . ? C18 C13 1.385(7) . ? C18 C17 1.395(7) . ? C1 H1 0.9500 . ? C1 C2 1.400(7) . ? C1 C6 1.386(7) . ? C2 H2 0.9500 . ? C2 C3 1.380(8) . ? C3 H3 0.9500 . ? C3 C4 1.386(8) . ? C4 H4 0.9500 . ? C4 C5 1.391(7) . ? C5 H5 0.9500 . ? C5 C6 1.391(7) . ? C8 H8 0.9500 . ? C8 C9 1.395(7) . ? C8 C7 1.395(7) . ? C9 H9 0.9500 . ? C9 C10 1.385(8) . ? C10 H10 0.9500 . ? C10 C11 1.390(7) . ? C11 H11 0.9500 . ? C11 C12 1.377(7) . ? C12 H12 0.9500 . ? C12 C7 1.397(7) . ? C13 C14 1.410(7) . ? C14 H14 0.9500 . ? C14 C15 1.379(7) . ? C15 H15 0.9500 . ? C15 C16 1.392(7) . ? C16 C17 1.411(7) . ? C16 C19 1.479(7) . ? C17 H17 0.9500 . ? C19 C20 1.379(7) . ? C19 C24 1.441(7) . ? C20 H20 0.9500 . ? C20 C21 1.413(7) . ? C21 H21 0.9500 . ? C21 C22 1.386(7) . ? C22 C23 1.430(7) . ? C22 C25 1.480(7) . ? C23 C24 1.434(7) . ? C28 H28 0.9500 . ? C28 C29 1.377(7) . ? C29 H29 0.9500 . ? C29 C25 1.387(7) . ? C25 C26 1.391(7) . ? C26 H26 0.9500 . ? C26 C27 1.366(7) . ? C27 H27 0.9500 . ? C31 C32 1.383(7) . ? C31 C30 1.404(7) . ? C32 C33 1.383(8) . ? C33 C34 1.375(8) . ? C34 C35 1.378(7) . ? C35 C30 1.398(7) . ? 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 Au1 N4 C28 C29 -178.5(4) . . . . ? Au1 N4 C27 C26 178.6(4) . . . . ? S1 N2 C24 C19 -179.8(4) . . . . ? S1 N2 C24 C23 -0.7(5) . . . . ? S1 N3 C23 C22 -178.9(4) . . . . ? S1 N3 C23 C24 -0.1(5) . . . . ? F1 C31 C32 F2 1.0(7) . . . . ? F1 C31 C32 C33 -177.8(4) . . . . ? F1 C31 C30 Au1 -3.2(6) . . . . ? F1 C31 C30 C35 178.5(4) . . . . ? F2 C32 C33 F3 -1.0(7) . . . . ? F2 C32 C33 C34 -179.9(5) . . . . ? F3 C33 C34 F4 -3.6(7) . . . . ? F3 C33 C34 C35 179.5(4) . . . . ? F4 C34 C35 F5 3.9(7) . . . . ? F4 C34 C35 C30 -174.5(4) . . . . ? F5 C35 C30 Au1 3.2(7) . . . . ? F5 C35 C30 C31 -178.6(4) . . . . ? N1 C13 C14 C15 177.1(4) . . . . ? N2 S1 N3 C23 -0.3(4) . . . . ? N3 S1 N2 C24 0.6(4) . . . . ? N3 C23 C24 N2 0.5(6) . . . . ? N3 C23 C24 C19 179.7(4) . . . . ? N4 C28 C29 C25 -1.0(8) . . . . ? C18 C13 C14 C15 -2.2(7) . . . . ? C1 C2 C3 C4 0.2(8) . . . . ? C2 C1 C6 N1 -179.5(4) . . . . ? C2 C1 C6 C5 0.2(7) . . . . ? C2 C3 C4 C5 -1.2(8) . . . . ? C3 C4 C5 C6 1.7(8) . . . . ? C4 C5 C6 N1 178.5(4) . . . . ? C4 C5 C6 C1 -1.2(7) . . . . ? C6 N1 C7 C8 -7.3(7) . . . . ? C6 N1 C7 C12 169.6(5) . . . . ? C6 N1 C13 C18 120.3(5) . . . . ? C6 N1 C13 C14 -59.0(6) . . . . ? C6 C1 C2 C3 0.3(8) . . . . ? C8 C9 C10 C11 0.6(8) . . . . ? C9 C8 C7 N1 176.9(5) . . . . ? C9 C8 C7 C12 -0.1(7) . . . . ? C9 C10 C11 C12 -1.7(8) . . . . ? C10 C11 C12 C7 1.9(8) . . . . ? C11 C12 C7 N1 -178.0(5) . . . . ? C11 C12 C7 C8 -1.0(7) . . . . ? C7 N1 C6 C1 118.5(5) . . . . ? C7 N1 C6 C5 -61.2(7) . . . . ? C7 N1 C13 C18 -50.4(7) . . . . ? C7 N1 C13 C14 130.3(5) . . . . ? C7 C8 C9 C10 0.3(8) . . . . ? C13 N1 C6 C1 -52.5(6) . . . . ? C13 N1 C6 C5 127.8(5) . . . . ? C13 N1 C7 C8 163.0(5) . . . . ? C13 N1 C7 C12 -20.0(7) . . . . ? C13 C18 C17 C16 -2.3(7) . . . . ? C13 C14 C15 C16 1.5(7) . . . . ? C14 C15 C16 C17 -1.1(7) . . . . ? C14 C15 C16 C19 178.5(4) . . . . ? C15 C16 C17 C18 1.5(7) . . . . ? C15 C16 C19 C20 -30.8(7) . . . . ? C15 C16 C19 C24 148.6(5) . . . . ? C16 C19 C20 C21 178.4(4) . . . . ? C16 C19 C24 N2 1.1(8) . . . . ? C16 C19 C24 C23 -178.0(4) . . . . ? C17 C18 C13 N1 -176.7(5) . . . . ? C17 C18 C13 C14 2.6(7) . . . . ? C17 C16 C19 C20 148.8(5) . . . . ? C17 C16 C19 C24 -31.8(7) . . . . ? C19 C16 C17 C18 -178.2(4) . . . . ? C19 C20 C21 C22 0.6(8) . . . . ? C20 C19 C24 N2 -179.5(5) . . . . ? C20 C19 C24 C23 1.4(6) . . . . ? C20 C21 C22 C23 -0.4(7) . . . . ? C20 C21 C22 C25 -177.6(4) . . . . ? C21 C22 C23 N3 179.7(5) . . . . ? C21 C22 C23 C24 0.9(7) . . . . ? C21 C22 C25 C29 143.5(5) . . . . ? C21 C22 C25 C26 -34.0(7) . . . . ? C22 C23 C24 N2 179.4(4) . . . . ? C22 C23 C24 C19 -1.4(7) . . . . ? C22 C25 C26 C27 176.9(5) . . . . ? C23 C22 C25 C29 -33.4(7) . . . . ? C23 C22 C25 C26 149.1(5) . . . . ? C24 C19 C20 C21 -1.0(7) . . . . ? C28 N4 C27 C26 -0.9(7) . . . . ? C28 C29 C25 C22 -176.8(4) . . . . ? C28 C29 C25 C26 0.8(7) . . . . ? C29 C25 C26 C27 -0.7(7) . . . . ? C25 C22 C23 N3 -3.3(7) . . . . ? C25 C22 C23 C24 178.0(4) . . . . ? C25 C26 C27 N4 0.8(8) . . . . ? C27 N4 C28 C29 1.1(7) . . . . ? C31 C32 C33 F3 177.8(4) . . . . ? C31 C32 C33 C34 -1.2(8) . . . . ? C32 C31 C30 Au1 175.6(4) . . . . ? C32 C31 C30 C35 -2.7(7) . . . . ? C32 C33 C34 F4 175.3(4) . . . . ? C32 C33 C34 C35 -1.6(7) . . . . ? C33 C34 C35 F5 -179.3(4) . . . . ? C33 C34 C35 C30 2.3(8) . . . . ? C34 C35 C30 Au1 -178.4(4) . . . . ? C34 C35 C30 C31 -0.2(7) . . . . ? C30 C31 C32 F2 -177.8(5) . . . . ? C30 C31 C32 C33 3.4(8) . . . . ?