#------------------------------------------------------------------------------ #$Date: 2019-12-12 12:00:01 +0200 (Thu, 12 Dec 2019) $ #$Revision: 245010 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/65/1556522.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_1556522 loop_ _publ_author_name 'Lanoe, P.-H.' 'Najjari, B.' 'Hallez, F.' 'Gontard, G.' 'Amouri, H.' _publ_section_title ; N-Heterocyclic Carbene Coinage Metal Complexes Containing Naphthalimide Chromophore: Design, Structure, and Photophysical Properties ; _journal_name_full Inorganics _journal_page_first 58 _journal_paper_doi 10.3390/inorganics5030058 _journal_volume 5 _journal_year 2017 _chemical_formula_moiety 'C20 H19 Au Cl N3 O2' _chemical_formula_sum 'C20 H19 Au Cl N3 O2' _chemical_formula_weight 565.80 _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 _atom_sites_solution_secondary difmap _cell_angle_alpha 69.669(1) _cell_angle_beta 70.888(1) _cell_angle_gamma 76.465(1) _cell_formula_units_Z 2 _cell_length_a 9.3874(2) _cell_length_b 9.8339(2) _cell_length_c 12.0913(2) _cell_measurement_reflns_used 9178 _cell_measurement_temperature 200(1) _cell_measurement_theta_max 30.51 _cell_measurement_theta_min 2.23 _cell_volume 979.82(3) _computing_cell_refinement 'Bruker SAINT' _computing_data_collection 'Bruker APEX2' _computing_data_reduction 'Bruker SAINT' _computing_molecular_graphics 'SXGRAPH (Farrugia, 2012)' _computing_publication_material 'WinGX publication routines (Farrugia, 2012)' _computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)' _computing_structure_solution 'SHELXT-2014/5 (Sheldrick, 2014)' _diffrn_ambient_temperature 200(1) _diffrn_detector_area_resol_mean 8.3333 _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 0.996 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_monochromator 'curved graphite' _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0187 _diffrn_reflns_av_unetI/netI 0.0151 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 0.996 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_number 29802 _diffrn_reflns_point_group_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 0.996 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 30.575 _diffrn_reflns_theta_min 2.229 _exptl_absorpt_coefficient_mu 7.663 _exptl_absorpt_correction_T_max 0.844 _exptl_absorpt_correction_T_min 0.355 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; R.H. Blessing, Acta Cryst. (1995), A51, 33-38 ; _exptl_crystal_colour yellow _exptl_crystal_density_diffrn 1.918 _exptl_crystal_density_method 'not measured' _exptl_crystal_description prism _exptl_crystal_F_000 544 _exptl_crystal_size_max 0.25 _exptl_crystal_size_mid 0.15 _exptl_crystal_size_min 0.05 _refine_diff_density_max 2.071 _refine_diff_density_min -0.594 _refine_diff_density_rms 0.114 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.089 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 246 _refine_ls_number_reflns 5978 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.089 _refine_ls_R_factor_all 0.0240 _refine_ls_R_factor_gt 0.0209 _refine_ls_shift/su_max 0.004 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0281P)^2^+0.8168P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0508 _refine_ls_wR_factor_ref 0.0520 _reflns_number_gt 5540 _reflns_number_total 5978 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file Inorganics-2017-5-58.cif _cod_data_source_block bn2 _cod_database_code 1556522 _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_res_file ; shelx.res created by SHELXL-2014/7 TITL bn2 in P-1 CELL 0.71073 9.3874 9.8339 12.0913 69.669 70.888 76.465 ZERR 2.00 0.0002 0.0002 0.0002 0.001 0.001 0.001 LATT 1 SFAC C H N O CL AU UNIT 40 38 6 4 2 2 MERG 2 FMAP 2 PLAN 25 SIZE 0.050 0.150 0.250 ACTA L.S. 10 TEMP -73.00 WGHT 0.028100 0.827500 FVAR 0.13479 AU1 6 0.807707 0.534893 1.022800 11.00000 0.03155 0.02160 = 0.02618 -0.00504 -0.00827 -0.00661 CL1 5 0.784530 0.765336 1.037121 11.00000 0.04174 0.02608 = 0.04732 -0.01467 -0.00641 -0.00943 O1 4 0.858959 0.841768 0.342751 11.00000 0.04576 0.04623 = 0.03245 0.00942 -0.01267 -0.01927 O2 4 0.415860 0.653107 0.543548 11.00000 0.03256 0.07292 = 0.04142 0.00371 -0.01811 -0.01599 N1 3 0.789234 0.287610 0.936099 11.00000 0.03299 0.02097 = 0.02373 -0.00302 -0.00873 -0.00608 N2 3 0.842241 0.209581 1.108766 11.00000 0.03382 0.02239 = 0.02341 -0.00104 -0.00834 -0.00737 N3 3 0.639062 0.743607 0.441089 11.00000 0.03393 0.04173 = 0.02407 -0.00064 -0.01186 -0.00985 C1 1 0.815182 0.332200 1.020980 11.00000 0.02645 0.02295 = 0.02241 -0.00245 -0.00700 -0.00705 C2 1 0.836499 0.087868 1.078990 11.00000 0.04406 0.02061 = 0.03117 -0.00160 -0.01161 -0.00620 AFIX 43 H2 2 0.854007 -0.011409 1.125826 11.00000 -1.20000 AFIX 0 C3 1 0.801652 0.136043 0.971801 11.00000 0.04794 0.02161 = 0.03220 -0.00642 -0.01208 -0.00732 AFIX 43 H3 2 0.788061 0.077867 0.928567 11.00000 -1.20000 AFIX 0 C4 1 0.876845 0.204327 1.219331 11.00000 0.04920 0.03543 = 0.02673 -0.00123 -0.01685 -0.01021 AFIX 137 H4A 2 0.962072 0.258991 1.196867 11.00000 -1.50000 H4B 2 0.904418 0.102263 1.264155 11.00000 -1.50000 H4C 2 0.787312 0.248196 1.271319 11.00000 -1.50000 AFIX 0 C5 1 0.734444 0.380918 0.834055 11.00000 0.03056 0.02474 = 0.02224 -0.00536 -0.00740 -0.00612 C6 1 0.590099 0.372052 0.835095 11.00000 0.03225 0.03519 = 0.02737 -0.00045 -0.00643 -0.01429 AFIX 43 H6 2 0.530953 0.305360 0.902208 11.00000 -1.20000 AFIX 0 C7 1 0.529755 0.460772 0.737786 11.00000 0.02776 0.04346 = 0.03063 -0.00299 -0.00812 -0.01440 AFIX 43 H7 2 0.430245 0.453316 0.738744 11.00000 -1.20000 AFIX 0 C8 1 0.613610 0.558416 0.641062 11.00000 0.02620 0.03544 = 0.02463 -0.00436 -0.00786 -0.00961 C9 1 0.763335 0.567040 0.637198 11.00000 0.02538 0.02751 = 0.02173 -0.00489 -0.00611 -0.00788 C10 1 0.827513 0.476774 0.734420 11.00000 0.02578 0.02578 = 0.02176 -0.00578 -0.00641 -0.00667 C11 1 0.979757 0.483953 0.725692 11.00000 0.02644 0.03385 = 0.02583 -0.00738 -0.00951 -0.00665 AFIX 43 H11 2 1.024726 0.422864 0.789243 11.00000 -1.20000 AFIX 0 C12 1 1.062650 0.579293 0.625286 11.00000 0.02589 0.04323 = 0.03215 -0.01008 -0.00781 -0.01202 AFIX 43 H12 2 1.164775 0.583595 0.620089 11.00000 -1.20000 AFIX 0 C13 1 0.998303 0.670399 0.530312 11.00000 0.03160 0.03680 = 0.02882 -0.00468 -0.00459 -0.01550 AFIX 43 H13 2 1.056780 0.736461 0.462027 11.00000 -1.20000 AFIX 0 C14 1 0.851214 0.664635 0.535487 11.00000 0.02961 0.02853 = 0.02329 -0.00316 -0.00691 -0.00937 C15 1 0.786923 0.757581 0.432132 11.00000 0.03595 0.03342 = 0.02609 -0.00202 -0.01029 -0.00982 C16 1 0.546256 0.652728 0.541060 11.00000 0.03202 0.04360 = 0.02882 -0.00438 -0.01173 -0.00916 C17 1 0.573445 0.834173 0.338250 11.00000 0.04321 0.04948 = 0.02742 -0.00131 -0.01722 -0.00981 AFIX 23 H17A 2 0.496028 0.783207 0.335339 11.00000 -1.20000 H17B 2 0.654962 0.843738 0.260455 11.00000 -1.20000 AFIX 0 C18 1 0.500605 0.985504 0.347930 11.00000 0.05696 0.05429 = 0.04899 -0.00545 -0.02859 -0.00168 AFIX 23 H18A 2 0.580901 1.042528 0.336850 11.00000 -1.20000 H18B 2 0.431010 0.976764 0.431023 11.00000 -1.20000 AFIX 0 C19 1 0.411392 1.068406 0.253095 11.00000 0.08084 0.07307 = 0.06552 -0.00219 -0.04287 0.00980 AFIX 23 H19A 2 0.390687 1.173669 0.247581 11.00000 -1.20000 H19B 2 0.473384 1.058658 0.171737 11.00000 -1.20000 AFIX 0 C20 1 0.261902 1.009774 0.287127 11.00000 0.07425 0.15491 = 0.10465 -0.04531 -0.05851 0.02801 AFIX 137 H20A 2 0.282390 0.906288 0.290268 11.00000 -1.50000 H20B 2 0.206595 1.065475 0.225559 11.00000 -1.50000 H20C 2 0.200267 1.019729 0.367511 11.00000 -1.50000 AFIX 0 HKLF 4 REM bn2 in P-1 REM R1 = 0.0209 for 5540 Fo > 4sig(Fo) and 0.0240 for all 5978 data REM 246 parameters refined using 0 restraints END WGHT 0.0281 0.8274 REM Highest difference peak 2.071, deepest hole -0.594, 1-sigma level 0.114 Q1 1 0.8595 0.4766 0.9854 11.00000 0.05 2.07 Q2 1 0.7574 0.5966 1.0596 11.00000 0.05 1.63 Q3 1 0.7199 0.5471 1.0329 11.00000 0.05 1.45 Q4 1 0.5761 0.4014 0.9277 11.00000 0.05 1.12 Q5 1 0.4288 1.1994 0.2089 11.00000 0.05 0.97 Q6 1 0.8786 0.5564 1.0012 11.00000 0.05 0.97 Q7 1 0.7404 0.7968 1.0028 11.00000 0.05 0.75 Q8 1 0.4489 1.0085 0.2244 11.00000 0.05 0.58 Q9 1 0.8578 0.7773 1.0212 11.00000 0.05 0.55 Q10 1 0.7534 0.7451 1.0871 11.00000 0.05 0.49 Q11 1 0.6991 0.8065 1.0640 11.00000 0.05 0.48 Q12 1 0.5170 0.9221 0.3289 11.00000 0.05 0.46 Q13 1 0.6536 0.3931 0.8438 11.00000 0.05 0.44 Q14 1 0.7989 0.6154 0.5914 11.00000 0.05 0.41 Q15 1 0.5858 0.5001 0.6754 11.00000 0.05 0.41 Q16 1 0.9148 0.4652 0.7171 11.00000 0.05 0.41 Q17 1 0.5810 0.5979 0.5911 11.00000 0.05 0.40 Q18 1 1.0014 0.5371 0.6713 11.00000 0.05 0.39 Q19 1 0.9332 0.6457 0.5267 11.00000 0.05 0.39 Q20 1 0.6845 0.5609 0.6375 11.00000 0.05 0.38 Q21 1 0.8362 0.1449 1.1034 11.00000 0.05 0.38 Q22 1 0.6979 0.7744 0.4394 11.00000 0.05 0.38 Q23 1 0.8579 0.2607 1.0767 11.00000 0.05 0.37 Q24 1 1.0209 0.6309 0.5831 11.00000 0.05 0.36 Q25 1 0.3629 1.0602 0.2815 11.00000 0.05 0.36 ; _shelx_res_checksum 11854 _shelx_hkl_file ; -1 0 0 56.07 0.78 -1 0 0 57.40 0.78 -1 0 0 57.28 0.77 -1 0 0 56.12 0.78 -1 0 0 52.40 0.77 -1 0 0 56.70 0.78 1 0 0 56.39 0.78 1 0 0 56.50 0.77 1 0 0 59.41 0.89 1 0 0 56.98 0.78 -2 0 0 348.47 4.64 -2 0 0 358.20 4.64 -2 0 0 355.81 4.68 -2 0 0 357.96 4.66 -2 0 0 347.95 4.65 2 0 0 361.76 4.68 2 0 0 354.41 4.66 2 0 0 343.25 4.65 2 0 0 357.70 4.64 2 0 0 353.07 4.87 -3 0 0 664.69 8.90 -3 0 0 663.30 8.71 -3 0 0 681.42 8.73 -3 0 0 659.98 8.77 3 0 0 668.97 8.72 3 0 0 667.97 8.73 3 0 0 651.45 8.81 3 0 0 673.89 8.74 3 0 0 663.49 9.06 3 0 0 664.71 8.69 -4 0 0 7.19 0.24 -4 0 0 6.84 0.26 -4 0 0 7.07 0.26 -4 0 0 7.07 0.25 4 0 0 6.80 0.22 4 0 0 6.88 0.49 4 0 0 7.52 0.26 4 0 0 7.00 0.26 4 0 0 7.05 0.25 -5 0 0 395.45 5.39 -5 0 0 399.49 5.39 -5 0 0 394.46 5.36 -5 0 0 401.81 5.36 5 0 0 395.81 5.94 5 0 0 405.92 5.32 5 0 0 396.01 5.30 5 0 0 398.30 5.38 -6 0 0 39.93 0.82 -6 0 0 40.30 0.82 -6 0 0 40.73 0.88 -6 0 0 41.06 0.78 6 0 0 41.16 0.81 6 0 0 42.80 1.31 -7 0 0 27.35 0.70 -7 0 0 27.26 0.70 7 0 0 27.22 1.20 7 0 0 26.29 0.68 -8 0 0 52.30 1.12 -8 0 0 53.72 1.13 8 0 0 54.56 1.11 8 0 0 53.48 1.80 -9 0 0 0.40 0.31 -9 0 0 0.33 0.31 9 0 0 0.07 0.60 9 0 0 -0.10 0.28 -10 0 0 21.69 0.88 -10 0 0 21.24 0.86 10 0 0 22.49 0.85 10 0 0 23.08 1.64 -11 0 0 7.48 0.64 -11 0 0 6.83 0.67 -11 0 0 6.64 0.64 11 0 0 9.63 1.31 11 0 0 8.46 0.64 -12 0 0 0.74 0.53 -12 0 0 1.31 0.53 -12 0 0 0.96 0.51 12 0 0 1.30 0.49 12 0 0 1.77 1.07 12 -1 0 1.51 0.52 12 -1 0 1.79 1.05 -12 1 0 0.90 0.52 -12 1 0 1.85 0.59 -12 1 0 0.91 0.54 11 -1 0 6.34 1.16 11 -1 0 4.79 0.56 -11 1 0 5.58 0.64 -11 1 0 4.77 0.59 10 -1 0 15.75 0.79 10 -1 0 17.38 1.48 -10 1 0 14.24 0.77 -10 1 0 14.64 0.86 9 -1 0 -0.21 0.56 9 -1 0 0.02 0.28 -9 1 0 0.20 0.33 -9 1 0 0.19 0.32 8 -1 0 23.61 1.24 8 -1 0 25.02 0.76 -8 1 0 25.90 0.79 -8 1 0 25.05 0.79 7 -1 0 33.85 0.80 7 -1 0 34.84 1.31 -7 1 0 32.49 0.82 -7 1 0 34.17 0.82 6 -1 0 7.04 0.66 6 -1 0 6.05 0.36 6 -1 0 6.62 0.34 -6 1 0 5.80 0.32 -6 1 0 6.17 0.39 -6 1 0 6.10 0.37 5 -1 0 195.94 3.32 5 -1 0 199.56 2.88 5 -1 0 197.66 2.82 -5 1 0 198.91 2.85 -5 1 0 198.67 2.83 -5 1 0 195.49 2.82 4 -1 0 45.97 0.79 4 -1 0 45.52 0.88 4 -1 0 43.80 0.70 4 -1 0 45.14 1.11 4 -1 0 44.22 0.78 -4 1 0 44.47 0.76 -4 1 0 44.35 0.81 -4 1 0 43.72 0.78 -4 1 0 42.44 0.78 3 -1 0 77.76 1.26 3 -1 0 75.39 1.13 3 -1 0 74.97 1.43 3 -1 0 80.92 1.27 3 -1 0 75.73 1.16 -3 1 0 76.21 1.14 -3 1 0 76.47 1.18 -3 1 0 75.49 1.16 -3 1 0 77.10 1.17 2 -1 0 107.17 1.50 2 -1 0 107.48 1.52 2 -1 0 107.58 1.49 2 -1 0 106.30 1.72 2 -1 0 110.83 1.53 2 -1 0 106.62 1.61 -2 1 0 108.58 1.55 -2 1 0 103.91 1.51 -2 1 0 107.18 1.51 -2 1 0 110.59 1.54 1 -1 0 5.57 0.17 1 -1 0 6.22 0.24 1 -1 0 6.18 0.16 1 -1 0 5.71 0.16 1 -1 0 5.84 0.24 1 -1 0 5.68 0.18 -1 1 0 5.44 0.18 -1 1 0 5.82 0.17 -1 1 0 5.92 0.20 -1 1 0 5.72 0.16 0 -1 0 613.29 8.06 0 -1 0 601.06 8.25 0 -1 0 630.69 8.18 0 -1 0 586.52 8.16 0 -1 0 578.71 8.24 0 1 0 608.36 8.09 0 1 0 589.58 8.11 0 1 0 606.23 8.21 0 1 0 624.56 8.23 0 1 0 601.35 8.16 0 1 0 621.12 8.10 0 1 0 586.76 8.20 -1 -1 0 207.72 2.72 -1 -1 0 204.34 2.70 -1 -1 0 208.72 2.70 -1 -1 0 204.92 2.70 -1 -1 0 206.42 2.71 -1 -1 0 207.21 2.76 -1 -1 0 198.90 2.81 -1 -1 0 203.72 2.71 -1 -1 0 202.93 2.71 1 1 0 201.16 2.76 1 1 0 207.20 2.71 1 1 0 206.79 2.71 1 1 0 203.10 2.72 1 1 0 202.82 2.70 1 1 0 204.31 2.74 1 1 0 204.41 2.71 -2 -1 0 143.27 1.94 -2 -1 0 140.22 1.95 -2 -1 0 142.88 1.94 -2 -1 0 144.03 1.95 -2 -1 0 140.38 1.93 -2 -1 0 145.51 1.94 2 1 0 143.46 1.94 2 1 0 144.73 1.93 2 1 0 144.19 1.94 2 1 0 144.04 2.10 -3 -1 0 233.52 3.23 -3 -1 0 235.76 3.18 -3 -1 0 237.37 3.18 -3 -1 0 234.77 3.19 -3 -1 0 237.37 3.18 3 1 0 238.13 3.17 3 1 0 238.69 3.49 3 1 0 241.19 3.15 3 1 0 236.47 3.19 3 1 0 237.17 3.19 -4 -1 0 0.71 0.12 -4 -1 0 0.55 0.11 -4 -1 0 0.55 0.11 -4 -1 0 0.42 0.12 4 1 0 0.65 0.13 4 1 0 0.52 0.11 4 1 0 0.77 0.27 4 1 0 0.58 0.10 -5 -1 0 202.24 2.83 -5 -1 0 200.51 2.79 -5 -1 0 198.64 2.81 -5 -1 0 201.77 2.83 5 1 0 200.81 2.83 5 1 0 203.07 2.75 5 1 0 199.95 2.82 5 1 0 205.37 3.38 -6 -1 0 72.39 1.17 -6 -1 0 70.74 1.19 -6 -1 0 71.79 1.22 -6 -1 0 75.80 1.23 6 1 0 73.45 1.79 6 1 0 73.13 1.10 6 1 0 73.02 1.22 -7 -1 0 13.92 0.50 -7 -1 0 14.29 0.49 7 1 0 14.39 0.37 7 1 0 14.78 0.99 7 1 0 14.73 0.50 -8 -1 0 96.88 1.66 -8 -1 0 92.24 1.64 8 1 0 95.98 1.64 8 1 0 96.89 2.50 -9 -1 0 2.34 0.36 -9 -1 0 2.82 0.38 -9 -1 0 1.51 0.36 9 1 0 1.47 0.74 9 1 0 2.69 0.36 -10 -1 0 23.31 0.85 -10 -1 0 23.11 0.89 -10 -1 0 24.23 0.95 10 1 0 23.21 0.85 10 1 0 25.02 1.74 -11 -1 0 19.67 1.02 -11 -1 0 17.67 0.94 -11 -1 0 17.98 0.88 11 1 0 19.68 1.84 11 1 0 18.64 0.87 -12 -1 0 -0.40 0.46 -12 -1 0 0.70 0.46 -12 -1 0 0.72 0.50 12 1 0 -0.09 1.02 12 1 0 0.17 0.43 12 -2 0 1.89 1.09 12 -2 0 1.51 0.55 -12 2 0 1.51 0.59 -12 2 0 1.79 0.64 11 -2 0 3.59 0.55 11 -2 0 4.43 1.04 -11 2 0 2.92 0.55 -11 2 0 2.91 0.60 10 -2 0 21.31 1.54 10 -2 0 19.63 0.89 -10 2 0 20.49 0.97 -10 2 0 19.92 0.91 9 -2 0 0.55 0.34 9 -2 0 0.48 0.61 -9 2 0 0.48 0.36 -9 2 0 0.32 0.35 8 -2 0 20.92 0.73 8 -2 0 19.36 1.18 -8 2 0 19.51 0.73 -8 2 0 20.34 0.77 7 -2 0 41.92 1.45 7 -2 0 43.06 0.98 -7 2 0 44.81 1.04 -7 2 0 42.35 0.98 6 -2 0 3.44 0.35 6 -2 0 3.34 0.29 6 -2 0 3.18 0.50 -6 2 0 3.91 0.34 -6 2 0 3.46 0.31 -6 2 0 3.97 0.34 5 -2 0 110.12 1.65 5 -2 0 114.52 2.23 5 -2 0 114.53 1.79 5 -2 0 116.11 1.95 -5 2 0 112.78 1.79 -5 2 0 116.06 1.85 -5 2 0 113.53 1.80 4 -2 0 57.46 1.32 4 -2 0 58.13 1.01 4 -2 0 55.75 1.13 -4 2 0 58.15 1.03 -4 2 0 57.33 1.01 -4 2 0 56.79 1.05 3 -2 0 23.58 0.62 3 -2 0 22.38 0.70 3 -2 0 23.66 0.52 3 -2 0 22.84 0.46 -3 2 0 23.27 0.51 -3 2 0 22.79 0.56 -3 2 0 23.52 0.54 2 -2 0 193.21 2.80 2 -2 0 191.87 2.65 2 -2 0 191.95 2.87 2 -2 0 191.16 2.68 2 -2 0 192.48 2.67 -2 2 0 196.60 2.72 -2 2 0 190.32 2.68 -2 2 0 189.59 2.74 1 -2 0 3.84 0.20 1 -2 0 4.28 0.26 1 -2 0 3.57 0.28 1 -2 0 3.84 0.21 -1 2 0 3.99 0.25 -1 2 0 4.15 0.27 0 -2 0 163.51 2.28 0 -2 0 166.41 2.20 0 -2 0 156.53 2.29 0 -2 0 155.80 2.27 0 -2 0 160.56 2.27 0 2 0 157.92 2.31 0 2 0 163.02 2.22 0 2 0 162.09 2.29 -1 -2 0 69.89 1.04 -1 -2 0 68.95 1.02 -1 -2 0 68.25 0.99 -1 -2 0 68.56 1.04 -1 -2 0 68.61 1.04 -1 -2 0 69.49 1.01 -1 -2 0 67.00 1.05 -1 -2 0 68.12 1.01 1 2 0 66.44 1.05 1 2 0 67.50 1.04 1 2 0 67.43 1.06 1 2 0 67.44 0.99 -2 -2 0 7.01 0.21 -2 -2 0 6.55 0.22 -2 -2 0 6.50 0.22 -2 -2 0 6.74 0.19 -2 -2 0 7.02 0.21 -2 -2 0 6.74 0.22 -2 -2 0 6.69 0.20 2 2 0 6.82 0.22 2 2 0 6.69 0.21 2 2 0 7.26 0.23 2 2 0 6.93 0.28 2 2 0 7.73 0.27 2 2 0 6.76 0.21 2 2 0 6.75 0.20 -3 -2 0 263.57 3.57 -3 -2 0 256.66 3.55 -3 -2 0 262.62 3.55 -3 -2 0 264.08 3.56 -3 -2 0 263.06 3.55 -3 -2 0 265.91 3.57 3 2 0 263.08 3.56 3 2 0 270.22 3.55 3 2 0 259.40 3.55 3 2 0 261.55 3.55 3 2 0 261.34 3.79 3 2 0 264.45 3.56 3 2 0 265.76 3.57 -4 -2 0 4.94 0.24 -4 -2 0 4.85 0.22 -4 -2 0 4.88 0.21 -4 -2 0 4.86 0.24 -4 -2 0 4.90 0.21 4 2 0 5.24 0.24 4 2 0 4.90 0.22 4 2 0 4.93 0.20 4 2 0 5.86 0.46 -5 -2 0 23.86 0.54 -5 -2 0 24.75 0.52 -5 -2 0 25.17 0.51 -5 -2 0 26.21 0.57 -5 -2 0 23.83 0.53 5 2 0 25.28 0.90 5 2 0 25.21 0.49 5 2 0 24.73 0.54 -6 -2 0 84.40 1.37 -6 -2 0 85.24 1.32 -6 -2 0 86.81 1.39 -6 -2 0 85.59 1.42 -6 -2 0 82.31 1.35 6 2 0 83.97 1.97 6 2 0 84.01 1.27 6 2 0 84.67 1.37 -7 -2 0 0.02 0.19 -7 -2 0 -0.04 0.19 -7 -2 0 -0.17 0.18 7 2 0 -0.10 0.43 7 2 0 -0.23 0.17 -8 -2 0 63.31 1.29 -8 -2 0 65.66 1.25 -8 -2 0 64.56 1.25 8 2 0 64.64 2.06 8 2 0 65.17 1.23 -9 -2 0 15.93 0.68 -9 -2 0 16.71 0.67 -9 -2 0 17.69 0.75 9 2 0 16.42 0.66 9 2 0 16.58 1.39 -10 -2 0 7.31 0.61 -10 -2 0 7.39 0.69 -10 -2 0 6.26 0.53 10 2 0 7.23 1.17 10 2 0 6.10 0.50 -11 -2 0 21.96 0.91 -11 -2 0 21.01 0.94 -11 -2 0 22.69 1.03 11 2 0 23.92 1.97 11 2 0 22.62 0.91 -12 -2 0 0.68 0.48 -12 -2 0 0.15 0.45 -12 -2 0 0.08 0.47 12 2 0 0.39 0.44 12 2 0 0.08 1.00 11 -3 0 0.47 0.92 11 -3 0 0.57 0.50 -11 3 0 0.40 0.56 -11 3 0 0.09 0.53 10 -3 0 16.73 1.42 10 -3 0 15.54 0.92 -10 3 0 15.49 0.92 -10 3 0 16.19 1.00 9 -3 0 5.74 0.85 9 -3 0 5.65 0.54 -9 3 0 6.61 0.60 -9 3 0 5.49 0.58 8 -3 0 20.98 1.25 8 -3 0 23.98 0.83 -8 3 0 21.89 0.90 -8 3 0 21.54 0.83 7 -3 0 48.36 1.57 7 -3 0 48.98 1.11 -7 3 0 48.51 1.19 -7 3 0 50.01 1.13 6 -3 0 4.18 0.59 6 -3 0 3.60 0.44 6 -3 0 3.79 0.35 -6 3 0 3.25 0.35 -6 3 0 3.67 0.35 -6 3 0 3.08 0.36 5 -3 0 117.99 1.88 5 -3 0 113.54 2.26 5 -3 0 112.06 2.02 -5 3 0 114.77 1.95 -5 3 0 116.71 1.91 -5 3 0 114.84 1.87 4 -3 0 42.75 0.87 4 -3 0 43.24 1.00 4 -3 0 42.23 0.79 4 -3 0 43.25 1.12 -4 3 0 42.28 0.93 -4 3 0 42.62 0.88 -4 3 0 42.37 0.90 3 -3 0 76.43 1.22 3 -3 0 74.43 1.47 3 -3 0 75.08 1.27 3 -3 0 74.77 1.38 -3 3 0 75.45 1.35 -3 3 0 73.79 1.27 -3 3 0 75.26 1.31 2 -3 0 275.62 3.96 2 -3 0 274.55 3.99 2 -3 0 273.69 3.85 2 -3 0 280.09 3.82 -2 3 0 274.42 3.94 -2 3 0 280.30 3.90 -2 3 0 269.22 3.85 1 -3 0 9.06 0.34 1 -3 0 8.25 0.33 1 -3 0 8.79 0.39 1 -3 0 8.61 0.34 -1 3 0 7.69 0.37 -1 3 0 8.65 0.36 -1 3 0 8.04 0.36 0 -3 0 203.16 2.96 0 -3 0 205.96 2.94 0 -3 0 210.64 2.82 0 -3 0 203.14 2.93 0 3 0 206.42 2.86 0 3 0 206.94 2.97 0 3 0 204.59 2.96 -1 -3 0 223.44 3.11 -1 -3 0 223.81 3.18 -1 -3 0 224.95 3.15 -1 -3 0 223.68 3.11 -1 -3 0 225.93 3.11 -1 -3 0 220.82 3.15 -1 -3 0 226.66 3.11 1 3 0 223.38 3.17 1 3 0 223.69 3.15 1 3 0 222.19 3.12 1 3 0 222.29 3.08 -2 -3 0 31.44 0.59 -2 -3 0 32.30 0.60 -2 -3 0 31.56 0.63 -2 -3 0 32.00 0.60 -2 -3 0 31.14 0.65 -2 -3 0 28.33 0.62 -2 -3 0 32.16 0.56 -2 -3 0 32.30 0.58 2 3 0 31.56 0.67 2 3 0 32.65 0.56 2 3 0 32.07 0.62 2 3 0 31.61 0.65 2 3 0 31.75 0.58 -3 -3 0 254.68 3.49 -3 -3 0 249.97 3.44 -3 -3 0 254.00 3.45 -3 -3 0 250.28 3.42 -3 -3 0 248.48 3.49 3 3 0 250.06 3.42 3 3 0 248.61 3.59 3 3 0 255.80 3.46 3 3 0 254.56 3.48 -4 -3 0 62.21 1.10 -4 -3 0 61.61 1.05 -4 -3 0 62.06 1.05 -4 -3 0 62.38 1.00 -4 -3 0 60.86 1.01 4 3 0 62.10 1.03 4 3 0 63.92 1.04 4 3 0 61.37 1.26 4 3 0 61.44 1.02 4 3 0 62.62 1.02 -5 -3 0 40.85 0.86 -5 -3 0 41.27 0.80 -5 -3 0 41.48 0.81 -5 -3 0 40.98 0.78 -5 -3 0 41.89 0.75 -5 -3 0 41.75 0.75 5 3 0 39.94 1.08 5 3 0 41.15 0.79 5 3 0 40.85 0.78 -6 -3 0 90.32 1.40 -6 -3 0 89.07 1.50 -6 -3 0 88.09 1.45 -6 -3 0 91.97 1.48 6 3 0 89.99 1.46 6 3 0 89.06 1.46 6 3 0 88.30 1.92 -7 -3 0 0.64 0.22 -7 -3 0 0.60 0.21 -7 -3 0 0.59 0.22 7 3 0 0.00 0.41 7 3 0 0.55 0.21 -8 -3 0 36.46 0.89 -8 -3 0 37.39 0.89 -8 -3 0 38.14 0.95 8 3 0 37.71 0.88 8 3 0 37.24 1.46 -9 -3 0 15.12 0.65 -9 -3 0 15.07 0.66 -9 -3 0 16.06 0.72 9 3 0 14.76 0.65 9 3 0 14.15 1.18 -10 -3 0 3.32 0.47 -10 -3 0 3.15 0.44 -10 -3 0 4.02 0.46 10 3 0 3.91 0.45 10 3 0 2.79 0.83 -11 -3 0 15.03 0.82 -11 -3 0 17.24 0.90 -11 -3 0 17.03 0.92 11 3 0 16.65 0.84 11 3 0 15.51 1.46 -12 -3 0 -0.15 0.43 -12 -3 0 -0.35 0.46 -12 -3 0 0.49 0.48 12 3 0 -0.15 0.43 12 3 0 -0.24 0.91 11 -4 0 0.19 0.53 11 -4 0 0.81 0.94 -11 4 0 -0.40 0.54 -11 4 0 0.07 0.61 10 -4 0 13.13 0.96 10 -4 0 12.98 1.32 -10 4 0 12.76 0.95 -10 4 0 9.01 0.82 9 -4 0 22.09 1.45 9 -4 0 20.61 0.98 -9 4 0 20.44 0.98 -9 4 0 22.12 1.08 8 -4 0 2.76 0.67 8 -4 0 3.11 0.46 -8 4 0 2.42 0.47 -8 4 0 2.60 0.47 7 -4 0 68.59 1.91 7 -4 0 69.79 1.48 -7 4 0 67.97 1.56 -7 4 0 72.51 1.50 6 -4 0 8.11 0.74 6 -4 0 8.23 0.55 6 -4 0 7.59 0.60 -6 4 0 8.18 0.62 -6 4 0 8.38 0.55 -6 4 0 8.66 0.57 5 -4 0 68.42 1.65 5 -4 0 69.73 1.48 5 -4 0 70.27 1.35 5 -4 0 66.16 1.20 -5 4 0 69.49 1.44 -5 4 0 69.35 1.39 -5 4 0 70.26 1.36 4 -4 0 173.80 2.80 4 -4 0 174.63 2.95 4 -4 0 172.41 2.66 4 -4 0 171.13 2.56 -4 4 0 171.46 2.66 -4 4 0 170.67 2.71 -4 4 0 174.08 2.76 3 -4 0 3.82 0.35 3 -4 0 3.71 0.29 3 -4 0 3.63 0.31 3 -4 0 3.32 0.37 -3 4 0 3.28 0.35 -3 4 0 3.76 0.33 -3 4 0 3.36 0.31 2 -4 0 229.26 3.34 2 -4 0 229.74 3.39 2 -4 0 227.42 3.40 2 -4 0 223.98 3.27 -2 4 0 229.49 3.37 -2 4 0 228.41 3.34 -2 4 0 221.45 3.38 1 -4 0 86.47 1.53 1 -4 0 86.30 1.50 1 -4 0 86.64 1.48 1 -4 0 87.82 1.44 -1 4 0 85.89 1.52 -1 4 0 88.05 1.52 -1 4 0 89.30 1.53 0 -4 0 162.66 2.48 0 -4 0 167.15 2.33 0 -4 0 161.14 2.50 0 -4 0 166.23 2.49 0 4 0 164.35 2.51 0 4 0 164.65 2.51 0 4 0 165.66 2.39 -1 -4 0 370.92 5.10 -1 -4 0 364.98 5.14 -1 -4 0 363.42 5.07 -1 -4 0 372.69 5.08 -1 -4 0 363.11 5.07 -1 -4 0 369.42 5.04 -1 -4 0 371.87 5.14 1 4 0 362.81 5.12 1 4 0 370.10 5.04 1 4 0 371.98 5.06 1 4 0 365.92 5.12 -2 -4 0 12.68 0.45 -2 -4 0 13.11 0.38 -2 -4 0 12.10 0.41 -2 -4 0 12.79 0.41 -2 -4 0 12.43 0.42 -2 -4 0 12.71 0.41 -2 -4 0 12.16 0.39 2 4 0 11.84 0.43 2 4 0 12.48 0.42 2 4 0 12.52 0.36 2 4 0 12.68 0.45 -3 -4 0 289.67 4.02 -3 -4 0 292.07 3.97 -3 -4 0 287.09 4.00 -3 -4 0 285.63 4.07 -3 -4 0 295.42 4.08 3 4 0 284.47 3.99 3 4 0 289.08 4.04 3 4 0 294.19 4.08 3 4 0 291.33 3.95 -4 -4 0 79.58 1.29 -4 -4 0 81.75 1.32 -4 -4 0 81.62 1.36 -4 -4 0 81.57 1.37 4 4 0 80.97 1.32 4 4 0 80.38 1.42 4 4 0 80.74 1.34 4 4 0 81.71 1.27 -5 -4 0 46.62 0.90 -5 -4 0 47.23 0.87 -5 -4 0 47.06 0.93 -5 -4 0 48.09 0.95 5 4 0 46.87 0.90 5 4 0 47.50 1.10 5 4 0 49.02 0.92 -6 -4 0 185.26 2.78 -6 -4 0 187.67 2.72 -6 -4 0 188.61 2.73 -6 -4 0 189.89 2.85 -6 -4 0 191.78 2.82 6 4 0 189.04 2.79 6 4 0 191.35 2.80 6 4 0 190.17 3.15 -7 -4 0 4.75 0.39 -7 -4 0 3.94 0.35 -7 -4 0 3.61 0.33 7 4 0 3.90 0.43 7 4 0 4.13 0.35 7 4 0 3.03 0.50 -8 -4 0 36.05 0.96 -8 -4 0 35.62 0.89 -8 -4 0 36.02 0.91 8 4 0 36.39 1.31 8 4 0 37.03 0.89 -9 -4 0 26.63 0.85 -9 -4 0 27.60 0.85 -9 -4 0 28.53 0.93 9 4 0 29.55 1.34 9 4 0 27.24 0.84 -10 -4 0 5.34 0.54 -10 -4 0 5.72 0.53 -10 -4 0 6.06 0.52 10 4 0 5.04 0.48 10 4 0 5.36 0.88 -11 -4 0 22.53 1.03 -11 -4 0 20.15 0.95 -11 -4 0 20.91 0.90 11 4 0 21.21 1.50 11 4 0 22.55 0.92 -12 -4 0 -0.19 0.48 -12 -4 0 0.63 0.53 -12 -4 0 0.19 0.47 12 4 0 1.34 0.49 12 4 0 0.55 0.84 10 -5 0 8.53 1.18 10 -5 0 6.82 0.75 -10 5 0 8.79 0.91 -10 5 0 8.41 0.82 9 -5 0 18.32 1.05 9 -5 0 19.54 1.48 -9 5 0 18.05 1.18 -9 5 0 20.79 1.08 8 -5 0 0.33 0.40 8 -5 0 0.66 0.61 -8 5 0 0.89 0.51 -8 5 0 0.89 0.47 7 -5 0 23.08 1.21 7 -5 0 22.56 0.91 -7 5 0 22.94 1.02 -7 5 0 23.07 0.96 6 -5 0 21.74 0.94 6 -5 0 22.29 1.06 6 -5 0 20.85 0.82 -6 5 0 21.63 0.88 -6 5 0 22.49 0.95 5 -5 0 34.21 1.15 5 -5 0 35.13 0.97 5 -5 0 36.21 1.07 -5 5 0 34.57 1.06 -5 5 0 35.11 1.00 -5 5 0 35.40 1.00 4 -5 0 111.40 1.98 4 -5 0 112.10 1.86 4 -5 0 114.66 2.17 4 -5 0 112.62 2.07 -4 5 0 114.30 2.07 -4 5 0 112.43 2.02 -4 5 0 110.21 1.98 3 -5 0 8.22 0.44 3 -5 0 7.42 0.48 3 -5 0 9.44 0.52 3 -5 0 8.43 0.52 -3 5 0 8.09 0.53 -3 5 0 8.34 0.53 -3 5 0 8.73 0.55 2 -5 0 81.93 1.48 2 -5 0 80.98 1.50 2 -5 0 80.86 1.52 2 -5 0 81.50 1.56 -2 5 0 81.63 1.54 -2 5 0 80.45 1.54 -2 5 0 84.14 1.56 1 -5 0 134.90 2.22 1 -5 0 133.30 2.18 1 -5 0 133.81 2.08 1 -5 0 137.69 2.19 -1 5 0 130.22 2.19 -1 5 0 132.69 2.02 -1 5 0 132.10 2.20 0 -5 0 22.86 0.65 0 -5 0 23.45 0.52 0 -5 0 22.59 0.67 0 -5 0 23.19 0.67 0 -5 0 23.05 0.68 0 5 0 22.52 0.58 0 5 0 22.86 0.68 0 5 0 22.46 0.69 -1 -5 0 367.08 5.10 -1 -5 0 357.21 5.00 -1 -5 0 366.05 5.18 -1 -5 0 358.42 5.08 -1 -5 0 363.68 5.09 -1 -5 0 372.60 5.10 -1 -5 0 356.05 5.13 1 5 0 358.56 5.04 1 5 0 358.52 5.10 1 5 0 354.28 5.11 1 5 0 355.53 5.02 -2 -5 0 2.33 0.29 -2 -5 0 2.86 0.27 -2 -5 0 2.56 0.27 -2 -5 0 3.01 0.27 -2 -5 0 2.33 0.25 -2 -5 0 1.99 0.24 2 5 0 2.72 0.30 2 5 0 2.56 0.27 2 5 0 2.67 0.24 2 5 0 3.19 0.32 -3 -5 0 185.57 2.75 -3 -5 0 189.13 2.86 -3 -5 0 186.57 2.72 -3 -5 0 184.50 2.77 -3 -5 0 189.16 2.84 3 5 0 185.23 2.82 3 5 0 191.57 2.82 3 5 0 187.33 2.69 -4 -5 0 131.08 2.19 -4 -5 0 138.67 2.12 -4 -5 0 138.93 2.09 -4 -5 0 137.16 2.18 4 5 0 139.38 2.03 4 5 0 134.61 2.05 4 5 0 139.16 2.15 -5 -5 0 23.76 0.64 -5 -5 0 24.83 0.61 -5 -5 0 26.69 0.70 -5 -5 0 24.97 0.70 5 5 0 24.22 0.64 5 5 0 25.21 0.59 5 5 0 26.45 0.68 5 5 0 25.17 0.69 -6 -5 0 250.27 3.68 -6 -5 0 244.22 3.59 -6 -5 0 250.54 3.64 -6 -5 0 245.67 3.53 6 5 0 240.15 3.76 6 5 0 246.77 3.61 6 5 0 250.21 3.61 -7 -5 0 5.92 0.49 -7 -5 0 6.53 0.46 -7 -5 0 5.13 0.44 7 5 0 6.17 0.55 7 5 0 6.53 0.47 -8 -5 0 39.04 0.99 -8 -5 0 43.41 1.09 -8 -5 0 42.74 1.03 8 5 0 43.37 1.02 8 5 0 42.87 1.32 -9 -5 0 48.16 1.17 -9 -5 0 51.05 1.20 -9 -5 0 49.47 1.26 9 5 0 51.94 1.60 9 5 0 51.67 1.18 -10 -5 0 0.10 0.37 -10 -5 0 0.94 0.39 -10 -5 0 0.92 0.38 10 5 0 0.65 0.37 10 5 0 1.07 0.59 -11 -5 0 31.91 1.13 -11 -5 0 32.05 1.19 -11 -5 0 30.05 1.05 11 5 0 31.62 1.06 11 5 0 31.75 1.57 -12 -5 0 6.31 0.68 -12 -5 0 5.15 0.65 12 5 0 6.43 0.65 10 -6 0 5.53 1.10 10 -6 0 4.93 0.74 -10 6 0 6.21 0.78 -10 6 0 4.46 0.83 9 -6 0 11.22 1.17 9 -6 0 8.62 0.81 -9 6 0 7.86 0.87 -9 6 0 10.28 0.87 8 -6 0 1.39 0.51 8 -6 0 1.07 0.69 -8 6 0 1.21 0.55 -8 6 0 1.07 0.57 7 -6 0 6.65 0.64 7 -6 0 6.15 0.55 7 -6 0 7.78 0.86 -7 6 0 6.65 0.68 -7 6 0 7.37 0.73 6 -6 0 5.24 0.59 6 -6 0 5.85 0.52 6 -6 0 4.88 0.56 6 -6 0 6.30 0.73 -6 6 0 5.08 0.59 -6 6 0 4.62 0.59 5 -6 0 13.23 0.75 5 -6 0 14.13 0.73 5 -6 0 13.88 0.86 -5 6 0 14.17 0.83 -5 6 0 14.06 0.77 -5 6 0 14.07 0.76 4 -6 0 51.47 1.15 4 -6 0 53.65 1.31 4 -6 0 52.13 1.25 4 -6 0 52.99 1.34 -4 6 0 53.53 1.31 -4 6 0 54.22 1.33 -4 6 0 51.10 1.28 3 -6 0 0.61 0.31 3 -6 0 0.32 0.24 3 -6 0 0.38 0.27 3 -6 0 0.65 0.28 -3 6 0 0.23 0.31 -3 6 0 0.75 0.31 -3 6 0 0.40 0.32 2 -6 0 29.76 0.84 2 -6 0 29.35 0.87 2 -6 0 31.22 0.92 2 -6 0 30.67 0.83 -2 6 0 30.48 0.93 -2 6 0 30.21 0.89 -2 6 0 29.41 0.88 1 -6 0 86.93 1.64 1 -6 0 87.89 1.66 1 -6 0 86.72 1.50 1 -6 0 85.72 1.63 1 -6 0 87.58 1.62 -1 6 0 84.48 1.63 -1 6 0 86.67 1.65 -1 6 0 87.38 1.46 0 -6 0 10.73 0.53 0 -6 0 10.24 0.51 0 -6 0 10.64 0.37 0 -6 0 9.88 0.51 0 -6 0 10.32 0.51 0 6 0 10.30 0.53 0 6 0 9.04 0.53 0 6 0 10.48 0.43 -1 -6 0 139.97 2.31 -1 -6 0 142.53 2.33 -1 -6 0 142.38 2.32 -1 -6 0 142.91 2.36 -1 -6 0 142.67 2.31 1 6 0 142.64 2.32 1 6 0 140.73 2.22 1 6 0 134.75 2.33 1 6 0 139.12 2.27 -2 -6 0 60.14 1.19 -2 -6 0 60.62 1.28 -2 -6 0 59.16 1.21 -2 -6 0 60.42 1.23 -2 -6 0 59.98 1.18 2 6 0 58.91 1.22 2 6 0 61.29 1.23 2 6 0 60.69 1.27 2 6 0 60.22 1.15 -3 -6 0 47.71 1.08 -3 -6 0 49.04 0.97 -3 -6 0 48.44 1.04 -3 -6 0 49.33 1.12 -3 -6 0 48.47 1.01 3 6 0 48.25 1.08 3 6 0 50.49 1.16 3 6 0 47.78 0.94 3 6 0 49.36 1.05 -4 -6 0 103.03 1.83 -4 -6 0 101.16 1.70 -4 -6 0 101.87 1.82 -4 -6 0 99.25 1.74 4 6 0 103.50 1.78 4 6 0 102.79 1.75 4 6 0 102.57 1.63 -5 -6 0 3.18 0.33 -5 -6 0 3.12 0.35 -5 -6 0 3.27 0.29 -5 -6 0 2.93 0.33 5 6 0 3.40 0.30 5 6 0 3.36 0.29 5 6 0 2.93 0.33 -6 -6 0 79.64 1.48 -6 -6 0 77.56 1.51 -6 -6 0 79.91 1.55 6 6 0 76.84 1.44 6 6 0 78.93 1.48 6 6 0 78.50 1.36 -7 -6 0 43.38 1.03 -7 -6 0 43.02 1.06 -7 -6 0 43.25 1.10 7 6 0 42.09 1.09 7 6 0 42.90 1.02 -8 -6 0 2.84 0.38 -8 -6 0 2.28 0.37 -8 -6 0 1.93 0.36 8 6 0 2.80 0.39 8 6 0 2.40 0.46 -9 -6 0 34.71 1.03 -9 -6 0 33.91 1.09 -9 -6 0 34.19 1.03 9 6 0 34.34 1.00 -10 -6 0 1.18 0.42 -10 -6 0 1.57 0.42 -10 -6 0 0.99 0.40 10 6 0 1.71 0.43 -11 -6 0 10.79 0.80 -11 -6 0 11.24 0.93 -11 -6 0 9.46 0.73 11 6 0 11.58 0.82 9 -7 0 11.01 0.96 9 -7 0 9.27 1.17 -9 7 0 10.47 0.95 -9 7 0 8.34 0.96 8 -7 0 -0.50 0.64 8 -7 0 0.27 0.54 -8 7 0 -0.29 0.60 -8 7 0 0.20 0.57 7 -7 0 7.45 0.88 7 -7 0 8.17 0.77 -7 7 0 7.86 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-2 -16 7.57 0.55 0 -2 -16 7.89 1.05 0 2 16 7.23 0.71 0 2 16 8.12 0.64 -1 -2 -16 0.25 0.38 -1 -2 -16 -0.09 0.67 1 2 16 0.38 0.41 1 2 16 0.22 0.46 -2 -2 -16 12.17 0.78 -2 -2 -16 11.62 1.25 2 2 16 12.84 0.87 2 2 16 13.18 0.98 -3 -2 -16 2.78 0.50 -3 -2 -16 1.92 0.84 3 2 16 2.19 0.55 3 2 16 2.42 0.51 -4 -2 -16 6.35 0.63 -4 -2 -16 7.24 1.07 4 2 16 6.27 0.67 4 2 16 7.22 0.73 -5 -2 -16 14.89 1.41 -5 -2 -16 13.99 0.92 5 2 16 14.73 0.99 5 2 16 13.00 0.97 -6 -2 -16 1.42 0.50 -6 -2 -16 1.74 0.78 6 2 16 0.56 0.50 6 2 16 0.93 0.50 -7 -2 -16 11.65 0.95 7 2 16 10.92 0.98 7 2 16 10.04 0.86 0 -3 -16 14.12 1.27 0 -3 -16 12.61 0.69 0 3 16 12.73 0.83 0 3 16 13.59 0.98 -1 -3 -16 0.66 0.38 -1 -3 -16 0.62 0.66 1 3 16 1.20 0.44 1 3 16 0.89 0.50 -2 -3 -16 14.17 1.37 -2 -3 -16 11.51 0.76 2 3 16 13.02 0.94 2 3 16 13.49 0.87 -3 -3 -16 7.65 1.12 -3 -3 -16 8.31 0.65 3 3 16 8.40 0.76 3 3 16 8.59 0.71 -4 -3 -16 2.45 0.86 -4 -3 -16 2.17 0.48 4 3 16 2.19 0.55 4 3 16 2.53 0.52 -5 -3 -16 18.49 0.97 -5 -3 -16 15.68 1.49 5 3 16 16.66 1.01 5 3 16 18.50 1.03 -6 -3 -16 1.08 0.73 -6 -3 -16 1.38 0.49 6 3 16 1.82 0.52 6 3 16 1.58 0.54 -7 -3 -16 8.63 0.77 7 3 16 8.15 0.78 7 3 16 9.01 0.79 -8 -3 -16 9.47 0.83 8 3 16 8.35 0.80 8 3 16 8.54 0.83 0 -4 -16 15.14 1.47 0 -4 -16 16.52 0.75 0 4 16 15.80 0.91 0 4 16 17.34 1.02 -1 -4 -16 4.90 0.84 -1 -4 -16 4.71 0.51 1 4 16 3.88 0.62 1 4 16 4.92 0.57 -2 -4 -16 6.24 0.90 -2 -4 -16 6.32 0.57 2 4 16 7.84 0.67 2 4 16 7.15 0.73 -3 -4 -16 14.11 1.34 -3 -4 -16 16.85 0.87 3 4 16 17.58 0.96 3 4 16 15.09 0.99 -4 -4 -16 -0.29 0.68 -4 -4 -16 -0.24 0.40 4 4 16 0.24 0.45 4 4 16 -0.22 0.41 4 4 16 0.15 0.44 -5 -4 -16 19.21 0.98 -5 -4 -16 16.15 1.49 5 4 16 17.94 1.03 5 4 16 17.97 0.98 5 4 16 18.88 1.03 -6 -4 -16 9.20 0.75 6 4 16 8.66 0.77 6 4 16 8.62 0.76 -7 -4 -16 3.09 0.59 7 4 16 3.63 0.61 7 4 16 2.13 0.55 -8 -4 -16 8.22 0.81 8 4 16 8.24 0.81 8 4 16 7.99 0.77 0 -5 -16 14.50 0.75 0 5 16 15.92 0.94 0 5 16 13.63 1.06 -1 -5 -16 5.71 0.55 1 5 16 6.42 0.64 1 5 16 4.97 0.68 -2 -5 -16 4.91 0.96 -2 -5 -16 3.40 0.50 2 5 16 4.75 0.60 2 5 16 3.93 0.65 -3 -5 -16 18.48 0.91 -3 -5 -16 16.60 1.28 3 5 16 17.34 1.04 3 5 16 17.94 1.01 3 5 16 17.22 0.95 -4 -5 -16 -0.51 0.61 -4 -5 -16 0.30 0.42 4 5 16 -0.10 0.47 4 5 16 0.53 0.47 4 5 16 -0.03 0.44 -5 -5 -16 22.39 1.04 -5 -5 -16 23.26 1.57 5 5 16 22.16 1.07 5 5 16 22.52 1.13 5 5 16 24.34 1.13 -6 -5 -16 14.99 0.95 6 5 16 13.57 0.96 6 5 16 15.58 1.05 6 5 16 14.14 1.00 -7 -5 -16 1.78 0.54 7 5 16 1.65 0.53 7 5 16 1.60 0.56 7 5 16 1.57 0.56 -8 -5 -16 13.23 1.04 8 5 16 14.23 1.00 8 5 16 13.81 1.07 0 -6 -16 19.86 0.84 0 6 16 19.49 1.01 0 6 16 19.92 1.13 -1 -6 -16 7.45 0.59 1 6 16 9.51 0.75 1 6 16 6.08 0.73 -2 -6 -16 1.19 0.44 2 6 16 1.25 0.56 2 6 16 1.49 0.52 2 6 16 1.12 0.51 -3 -6 -16 14.34 0.87 3 6 16 14.04 1.02 3 6 16 14.53 0.95 3 6 16 13.85 0.97 -4 -6 -16 0.48 0.44 4 6 16 1.06 0.52 4 6 16 1.25 0.53 4 6 16 0.86 0.50 -5 -6 -16 11.95 1.13 -5 -6 -16 12.16 0.90 5 6 16 13.51 0.98 5 6 16 13.51 1.02 5 6 16 12.19 0.94 -6 -6 -16 9.28 0.77 6 6 16 8.53 0.80 6 6 16 8.31 0.81 6 6 16 9.06 0.81 -7 -6 -16 0.65 0.50 7 6 16 0.35 0.53 7 6 16 0.30 0.50 7 6 16 0.60 0.52 -8 -6 -16 8.23 0.82 8 6 16 9.08 0.82 8 6 16 9.45 0.88 8 6 16 11.60 0.95 -1 -7 -16 13.57 0.85 -1 -7 -16 14.22 0.96 1 7 16 13.16 1.06 1 7 16 17.36 1.03 1 7 16 13.97 1.02 -2 -7 -16 1.49 0.46 2 7 16 0.62 0.53 2 7 16 1.70 0.56 2 7 16 1.06 0.58 -3 -7 -16 17.25 0.93 3 7 16 15.78 1.03 3 7 16 13.28 1.00 3 7 16 14.18 1.05 -4 -7 -16 3.62 0.57 4 7 16 4.55 0.67 4 7 16 6.33 0.71 4 7 16 3.67 0.66 -5 -7 -16 9.01 0.76 5 7 16 8.76 0.79 5 7 16 7.08 0.77 5 7 16 9.82 0.85 -6 -7 -16 12.36 0.96 6 7 16 14.78 1.10 6 7 16 12.85 1.00 6 7 16 13.67 1.04 -7 -7 -16 0.40 0.49 7 7 16 -0.13 0.49 7 7 16 -0.37 0.50 7 7 16 0.46 0.54 -8 -7 -16 9.07 0.84 8 7 16 8.97 0.91 8 7 16 9.87 0.89 8 7 16 9.90 0.85 -2 -8 -16 0.45 0.44 -2 -8 -16 0.64 0.49 -2 -8 -16 0.12 0.51 2 8 16 -0.74 0.52 2 8 16 0.01 0.53 -3 -8 -16 14.51 0.98 -3 -8 -16 13.51 0.92 3 8 16 16.49 1.11 3 8 16 14.67 1.07 -4 -8 -16 5.61 0.64 -4 -8 -16 7.75 0.71 4 8 16 6.05 0.77 4 8 16 7.37 0.78 4 8 16 6.60 0.75 -5 -8 -16 3.17 0.59 -5 -8 -16 1.72 0.53 5 8 16 1.85 0.58 5 8 16 1.67 0.60 5 8 16 1.13 0.60 -6 -8 -16 17.42 1.07 6 8 16 20.71 1.23 6 8 16 18.81 1.13 6 8 16 18.16 1.18 -7 -8 -16 0.87 0.52 7 8 16 1.45 0.64 7 8 16 0.96 0.54 7 8 16 1.61 0.62 -3 -9 -16 5.63 0.73 -3 -9 -16 7.15 0.74 3 9 16 5.55 0.82 3 9 16 6.07 0.78 -4 -9 -16 10.86 0.86 4 9 16 10.91 0.98 4 9 16 13.05 1.12 -5 -9 -16 0.65 0.54 -5 -9 -16 0.53 0.50 5 9 16 -1.45 0.49 5 9 16 -0.10 0.58 -6 -9 -16 14.48 1.07 -6 -9 -16 12.83 1.04 6 9 16 14.55 1.16 6 9 16 13.28 1.06 6 9 16 11.20 1.04 -3 -3 -17 8.40 1.22 -3 -3 -17 7.51 0.67 3 3 17 7.69 0.80 3 3 17 9.30 0.77 -4 -3 -17 1.69 0.94 -4 -3 -17 1.04 0.47 4 3 17 0.81 0.53 4 3 17 1.14 0.53 -5 -3 -17 12.60 0.92 5 3 17 11.52 0.97 5 3 17 12.53 1.03 -3 -4 -17 12.33 0.86 -3 -4 -17 13.31 1.25 3 4 17 12.05 1.00 3 4 17 12.97 0.99 -4 -4 -17 0.40 0.74 -4 -4 -17 0.75 0.46 4 4 17 0.23 0.51 4 4 17 0.60 0.51 -5 -4 -17 6.43 1.15 -5 -4 -17 8.93 0.75 5 4 17 7.78 0.77 5 4 17 9.88 0.84 -6 -4 -17 6.61 1.25 -6 -4 -17 6.90 0.72 6 4 17 6.53 0.76 6 4 17 6.29 0.75 -3 -5 -17 16.62 0.95 3 5 17 17.75 1.12 3 5 17 17.04 1.07 -4 -5 -17 0.80 0.73 -4 -5 -17 1.13 0.49 4 5 17 1.07 0.56 4 5 17 1.69 0.57 4 5 17 1.13 0.56 -5 -5 -17 9.09 0.76 -5 -5 -17 6.48 1.05 5 5 17 8.69 0.80 5 5 17 9.43 0.84 5 5 17 8.47 0.82 -6 -5 -17 13.10 0.99 -6 -5 -17 13.06 1.42 6 5 17 11.43 0.96 6 5 17 14.49 1.14 6 5 17 13.85 1.05 -3 -6 -17 10.44 0.86 3 6 17 8.91 0.85 3 6 17 9.76 1.05 3 6 17 10.01 0.84 -4 -6 -17 1.39 0.50 4 6 17 0.94 0.56 4 6 17 0.26 0.54 4 6 17 0.58 0.51 -5 -6 -17 6.62 0.70 5 6 17 4.51 0.69 5 6 17 5.59 0.72 5 6 17 4.96 0.71 -6 -6 -17 8.33 0.77 -6 -6 -17 6.54 1.30 6 6 17 7.48 0.79 6 6 17 5.83 0.75 6 6 17 7.09 0.80 -4 -7 -17 1.52 0.53 4 7 17 2.21 0.63 4 7 17 1.89 0.61 4 7 17 2.12 0.62 -5 -7 -17 2.47 0.57 5 7 17 3.20 0.68 5 7 17 2.76 0.64 5 7 17 2.22 0.63 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 52653 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 0.80771(2) 0.53489(2) 1.02280(2) 0.02633(4) Uani 1 1 d . . . . . Cl1 Cl 0.78453(9) 0.76534(7) 1.03712(7) 0.03790(14) Uani 1 1 d . . . . . O1 O 0.8590(3) 0.8418(3) 0.3428(2) 0.0444(5) Uani 1 1 d . . . . . O2 O 0.4159(3) 0.6531(3) 0.5435(2) 0.0510(6) Uani 1 1 d . . . . . N1 N 0.7892(3) 0.2876(2) 0.93610(19) 0.0262(4) Uani 1 1 d . . . . . N2 N 0.8422(3) 0.2096(2) 1.10877(19) 0.0273(4) Uani 1 1 d . . . . . N3 N 0.6391(3) 0.7436(3) 0.4411(2) 0.0339(5) Uani 1 1 d . . . . . C1 C 0.8152(3) 0.3322(3) 1.0210(2) 0.0243(4) Uani 1 1 d . . . . . C2 C 0.8365(3) 0.0879(3) 1.0790(3) 0.0329(5) Uani 1 1 d . . . . . H2 H 0.8540 -0.0114 1.1258 0.039 Uiso 1 1 calc R U . . . C3 C 0.8017(3) 0.1360(3) 0.9718(3) 0.0335(6) Uani 1 1 d . . . . . H3 H 0.7881 0.0779 0.9286 0.040 Uiso 1 1 calc R U . . . C4 C 0.8768(4) 0.2043(3) 1.2193(3) 0.0368(6) Uani 1 1 d . . . . . H4A H 0.9621 0.2590 1.1969 0.055 Uiso 1 1 calc R U . . . H4B H 0.9044 0.1023 1.2641 0.055 Uiso 1 1 calc R U . . . H4C H 0.7873 0.2482 1.2713 0.055 Uiso 1 1 calc R U . . . C5 C 0.7344(3) 0.3809(3) 0.8341(2) 0.0258(5) Uani 1 1 d . . . . . C6 C 0.5901(3) 0.3721(3) 0.8351(2) 0.0327(5) Uani 1 1 d . . . . . H6 H 0.5310 0.3054 0.9022 0.039 Uiso 1 1 calc R U . . . C7 C 0.5298(3) 0.4608(3) 0.7378(3) 0.0344(6) Uani 1 1 d . . . . . H7 H 0.4302 0.4533 0.7387 0.041 Uiso 1 1 calc R U . . . C8 C 0.6136(3) 0.5584(3) 0.6411(2) 0.0288(5) Uani 1 1 d . . . . . C9 C 0.7633(3) 0.5670(3) 0.6372(2) 0.0248(4) Uani 1 1 d . . . . . C10 C 0.8275(3) 0.4768(3) 0.7344(2) 0.0242(4) Uani 1 1 d . . . . . C11 C 0.9798(3) 0.4840(3) 0.7257(2) 0.0280(5) Uani 1 1 d . . . . . H11 H 1.0247 0.4229 0.7892 0.034 Uiso 1 1 calc R U . . . C12 C 1.0627(3) 0.5793(3) 0.6253(3) 0.0327(5) Uani 1 1 d . . . . . H12 H 1.1648 0.5836 0.6201 0.039 Uiso 1 1 calc R U . . . C13 C 0.9983(3) 0.6704(3) 0.5303(2) 0.0328(5) Uani 1 1 d . . . . . H13 H 1.0568 0.7365 0.4620 0.039 Uiso 1 1 calc R U . . . C14 C 0.8512(3) 0.6646(3) 0.5355(2) 0.0275(5) Uani 1 1 d . . . . . C15 C 0.7869(3) 0.7576(3) 0.4321(2) 0.0323(5) Uani 1 1 d . . . . . C16 C 0.5463(3) 0.6527(3) 0.5411(3) 0.0349(6) Uani 1 1 d . . . . . C17 C 0.5734(4) 0.8342(4) 0.3382(3) 0.0402(7) Uani 1 1 d . . . . . H17A H 0.4960 0.7832 0.3353 0.048 Uiso 1 1 calc R U . . . H17B H 0.6550 0.8437 0.2605 0.048 Uiso 1 1 calc R U . . . C18 C 0.5006(5) 0.9855(4) 0.3479(4) 0.0535(9) Uani 1 1 d . . . . . H18A H 0.5809 1.0425 0.3368 0.064 Uiso 1 1 calc R U . . . H18B H 0.4310 0.9768 0.4310 0.064 Uiso 1 1 calc R U . . . C19 C 0.4114(6) 1.0684(6) 0.2531(5) 0.0758(14) Uani 1 1 d . . . . . H19A H 0.3907 1.1737 0.2476 0.091 Uiso 1 1 calc R U . . . H19B H 0.4734 1.0587 0.1717 0.091 Uiso 1 1 calc R U . . . C20 C 0.2619(7) 1.0098(8) 0.2871(6) 0.108(2) Uani 1 1 d . . . . . H20A H 0.2824 0.9063 0.2903 0.162 Uiso 1 1 calc R U . . . H20B H 0.2066 1.0654 0.2255 0.162 Uiso 1 1 calc R U . . . H20C H 0.2002 1.0198 0.3675 0.162 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 Au1 0.03155(5) 0.02160(5) 0.02618(5) -0.00504(3) -0.00827(4) -0.00661(3) Cl1 0.0417(4) 0.0261(3) 0.0473(4) -0.0147(3) -0.0064(3) -0.0094(3) O1 0.0458(12) 0.0462(13) 0.0324(10) 0.0094(9) -0.0127(9) -0.0193(10) O2 0.0326(11) 0.0729(17) 0.0414(12) 0.0037(11) -0.0181(9) -0.0160(11) N1 0.0330(11) 0.0210(9) 0.0237(9) -0.0030(7) -0.0087(8) -0.0061(8) N2 0.0338(11) 0.0224(10) 0.0234(9) -0.0010(8) -0.0083(8) -0.0074(8) N3 0.0339(12) 0.0417(13) 0.0241(10) -0.0006(9) -0.0119(9) -0.0098(10) C1 0.0265(11) 0.0230(11) 0.0224(10) -0.0024(8) -0.0070(9) -0.0070(9) C2 0.0441(15) 0.0206(11) 0.0312(13) -0.0016(9) -0.0116(11) -0.0062(10) C3 0.0479(16) 0.0216(12) 0.0322(13) -0.0064(10) -0.0121(12) -0.0073(11) C4 0.0492(16) 0.0354(14) 0.0267(12) -0.0012(10) -0.0169(12) -0.0102(12) C5 0.0306(12) 0.0247(11) 0.0222(10) -0.0054(9) -0.0074(9) -0.0061(9) C6 0.0323(13) 0.0352(14) 0.0274(12) -0.0005(10) -0.0064(10) -0.0143(11) C7 0.0278(12) 0.0435(15) 0.0306(13) -0.0030(11) -0.0081(10) -0.0144(11) C8 0.0262(11) 0.0354(13) 0.0246(11) -0.0044(10) -0.0079(9) -0.0096(10) C9 0.0254(11) 0.0275(11) 0.0217(10) -0.0049(9) -0.0061(9) -0.0079(9) C10 0.0258(11) 0.0258(11) 0.0218(10) -0.0058(8) -0.0064(9) -0.0067(9) C11 0.0264(11) 0.0338(13) 0.0258(11) -0.0074(10) -0.0095(9) -0.0067(9) C12 0.0259(12) 0.0432(15) 0.0322(13) -0.0101(11) -0.0078(10) -0.0120(11) C13 0.0316(13) 0.0368(14) 0.0288(12) -0.0047(10) -0.0046(10) -0.0155(11) C14 0.0296(12) 0.0285(12) 0.0233(11) -0.0032(9) -0.0069(9) -0.0094(9) C15 0.0360(13) 0.0334(13) 0.0261(12) -0.0020(10) -0.0103(10) -0.0098(11) C16 0.0320(13) 0.0436(16) 0.0288(12) -0.0044(11) -0.0117(10) -0.0092(11) C17 0.0432(16) 0.0495(17) 0.0274(13) -0.0013(12) -0.0172(12) -0.0098(13) C18 0.057(2) 0.054(2) 0.0490(19) -0.0054(16) -0.0286(17) -0.0017(17) C19 0.081(3) 0.073(3) 0.066(3) -0.002(2) -0.043(2) 0.010(2) C20 0.074(4) 0.155(6) 0.105(5) -0.045(4) -0.059(3) 0.028(4) 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' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Au Au -2.0133 8.8022 '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 C1 Au1 Cl1 175.88(7) . . C1 N1 C3 110.2(2) . . C1 N1 C5 125.5(2) . . C3 N1 C5 123.7(2) . . C1 N2 C2 110.7(2) . . C1 N2 C4 124.9(2) . . C2 N2 C4 124.5(2) . . C15 N3 C16 124.9(2) . . C15 N3 C17 117.9(2) . . C16 N3 C17 117.2(2) . . N2 C1 N1 105.4(2) . . N2 C1 Au1 125.88(18) . . N1 C1 Au1 128.65(18) . . C3 C2 N2 107.1(2) . . C2 C3 N1 106.6(2) . . C6 C5 C10 121.6(2) . . C6 C5 N1 117.6(2) . . C10 C5 N1 120.9(2) . . C5 C6 C7 120.3(2) . . C8 C7 C6 120.3(2) . . C7 C8 C9 120.2(2) . . C7 C8 C16 119.2(2) . . C9 C8 C16 120.6(2) . . C8 C9 C14 120.0(2) . . C8 C9 C10 120.4(2) . . C14 C9 C10 119.5(2) . . C11 C10 C5 123.7(2) . . C11 C10 C9 119.1(2) . . C5 C10 C9 117.2(2) . . C12 C11 C10 120.0(2) . . C11 C12 C13 120.9(2) . . C14 C13 C12 120.5(2) . . C13 C14 C9 120.0(2) . . C13 C14 C15 119.8(2) . . C9 C14 C15 120.2(2) . . O1 C15 N3 120.7(2) . . O1 C15 C14 122.2(3) . . N3 C15 C14 117.1(2) . . O2 C16 N3 120.3(3) . . O2 C16 C8 122.5(3) . . N3 C16 C8 117.2(2) . . N3 C17 C18 113.5(3) . . C17 C18 C19 112.7(3) . . C20 C19 C18 111.2(4) . . loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 Au1 C1 1.986(2) . Au1 Cl1 2.2869(7) . O1 C15 1.213(3) . O2 C16 1.214(3) . N1 C1 1.353(3) . N1 C3 1.388(3) . N1 C5 1.427(3) . N2 C1 1.338(3) . N2 C2 1.381(3) . N2 C4 1.457(3) . N3 C15 1.392(4) . N3 C16 1.394(4) . N3 C17 1.481(3) . C2 C3 1.338(4) . C5 C6 1.374(4) . C5 C10 1.418(3) . C6 C7 1.399(4) . C7 C8 1.371(4) . C8 C9 1.412(3) . C8 C16 1.473(4) . C9 C14 1.414(3) . C9 C10 1.422(3) . C10 C11 1.415(3) . C11 C12 1.375(4) . C12 C13 1.404(4) . C13 C14 1.375(4) . C14 C15 1.484(4) . C17 C18 1.513(5) . C18 C19 1.530(5) . C19 C20 1.519(8) .