#------------------------------------------------------------------------------ #$Date: 2024-10-01 01:09:10 +0300 (Tue, 01 Oct 2024) $ #$Revision: 294944 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/57/27/1572715.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_1572715 loop_ _publ_author_name 'Larsen, Emil Mickey Hilligs\/oe' 'Brock-Nannestad, Theis' 'Skibsted, J\/orgen' 'Reinholdt, Anders' 'Bendix, Jesper' _publ_section_title ; A Homoleptic AgIII Complex Stabilized by Succinimidate Ligands ; _journal_name_full 'Chemical Science' _journal_paper_doi 10.1039/D4SC04843A _journal_year 2024 _chemical_formula_moiety 'C16 H16 Ag Cs N4 O8, 4(H2 O)' _chemical_formula_sum 'C16 H24 Ag Cs N4 O12' _chemical_formula_weight 705.17 _space_group_crystal_system tetragonal _space_group_IT_number 87 _space_group_name_Hall '-I 4' _space_group_name_H-M_alt 'I 4/m' _atom_sites_solution_hydrogens mixed _audit_creation_date 2018-06-28 _audit_creation_method ; Olex2 1.2 (compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103) ; _audit_update_record ; 2024-06-26 deposited with the CCDC. 2024-09-17 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 11.3504(5) _cell_length_b 11.3504(5) _cell_length_c 8.7443(4) _cell_measurement_reflns_used 6092 _cell_measurement_temperature 122(2) _cell_measurement_theta_max 28.277 _cell_measurement_theta_min 2.538 _cell_volume 1126.54(9) _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 'olex2.solve (Bourhis et al., 2015)' _diffrn_ambient_temperature 122(2) _diffrn_measured_fraction_theta_full 0.993 _diffrn_measured_fraction_theta_max 0.997 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0203 _diffrn_reflns_av_unetI/netI 0.0107 _diffrn_reflns_Laue_measured_fraction_full 0.993 _diffrn_reflns_Laue_measured_fraction_max 0.997 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_l_max 11 _diffrn_reflns_limit_l_min -11 _diffrn_reflns_number 6759 _diffrn_reflns_point_group_measured_fraction_full 0.993 _diffrn_reflns_point_group_measured_fraction_max 0.997 _diffrn_reflns_theta_full 26.000 _diffrn_reflns_theta_max 28.277 _diffrn_reflns_theta_min 2.538 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 2.558 _exptl_absorpt_correction_T_max 0.7457 _exptl_absorpt_correction_T_min 0.5634 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.1312 before and 0.0398 after correction. The Ratio of minimum to maximum transmission is 0.7555. The \l/2 correction factor is Not present. ; _exptl_crystal_colour 'clear yellow' _exptl_crystal_colour_lustre clear _exptl_crystal_colour_primary yellow _exptl_crystal_density_diffrn 2.079 _exptl_crystal_description needle _exptl_crystal_F_000 692 _exptl_crystal_size_max 0.454 _exptl_crystal_size_mid 0.17 _exptl_crystal_size_min 0.141 _refine_diff_density_max 2.404 _refine_diff_density_min -0.961 _refine_diff_density_rms 0.110 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.133 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 47 _refine_ls_number_reflns 748 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.133 _refine_ls_R_factor_all 0.0230 _refine_ls_R_factor_gt 0.0218 _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^)+(0.0180P)^2^+6.5471P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0511 _refine_ls_wR_factor_ref 0.0518 _reflns_Friedel_coverage 0.000 _reflns_number_gt 697 _reflns_number_total 748 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d4sc04843a2.cif _cod_data_source_block mo_d8v1602_0m-test _cod_original_cell_volume 1126.54(11) _cod_database_code 1572715 _shelxl_version_number 2013-3 _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. ; _shelx_estimated_absorpt_t_max 0.714 _shelx_estimated_absorpt_t_min 0.390 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H,H) groups, All Ag(H) groups 2.a Secondary CH2 refined with riding coordinates: C2(H2A,H2B) ; _shelx_res_file ; TITL CELL 0.71073 11.3504 11.3504 8.7443 90 90 90 ZERR 2 0.0005 0.0005 0.0004 0 0 0 LATT 2 SYMM -Y,+X,+Z SYMM -X,-Y,+Z SYMM +Y,-X,+Z SFAC C H Ag Cs N O UNIT 32 48 2 2 8 24 L.S. 50 PLAN 20 SIZE 0.141 0.17 0.454 TEMP -151(2) MORE -1 BOND $H CONF fmap 2 acta 52 OMIT 0 1 3 OMIT 1 2 3 OMIT -2 5 1 REM REM REM WGHT 0.018000 6.547100 FVAR 0.30573 CS1 4 0.500000 0.500000 0.500000 10.12500 0.01319 0.01319 = 0.00991 0.00000 0.00000 0.00000 O1 6 0.573209 0.309575 0.740545 11.00000 0.03121 0.01458 = 0.01137 0.00075 -0.00077 0.00617 O2 6 0.643354 0.153128 0.500000 10.50000 0.02461 0.02025 = 0.01768 0.00000 0.00000 0.00722 C2 1 0.628588 0.149760 0.912963 11.00000 0.01755 0.00759 = 0.01360 -0.00055 0.00030 0.00457 AFIX 23 H2A 2 0.708853 0.135684 0.872598 11.00000 -1.20000 H2B 2 0.575035 0.088338 0.872601 11.00000 -1.20000 AFIX 0 C1 1 0.585415 0.271783 0.870021 11.00000 0.01012 0.00669 = 0.01308 -0.00179 0.00027 0.00143 N1 5 0.562365 0.334327 1.000000 10.50000 0.00824 0.00474 = 0.00996 0.00000 0.00000 0.00229 AG1 3 0.500000 0.500000 1.000000 10.12500 0.00314 0.00314 = 0.00650 0.00000 0.00000 0.00000 H2 2 0.623825 0.189748 0.431903 11.00000 -1.20000 HKLF 4 REM REM R1 = 0.0218 for 697 Fo > 4sig(Fo) and 0.0230 for all 748 data REM 47 parameters refined using 0 restraints END WGHT 0.0180 6.5508 REM Highest difference peak 2.404, deepest hole -0.961, 1-sigma level 0.110 Q1 1 0.5000 0.5000 0.6705 10.25000 0.05 2.40 Q2 1 0.5430 0.3826 1.0000 10.50000 0.05 0.45 Q3 1 0.5000 0.5000 1.1730 10.25000 0.05 0.42 Q4 1 0.6002 0.2163 0.8805 11.00000 0.05 0.40 Q5 1 0.5684 0.3063 0.9262 11.00000 0.05 0.38 Q6 1 0.6024 0.4393 1.0266 11.00000 0.05 0.30 Q7 1 0.5473 0.5863 0.5000 10.50000 0.05 0.30 Q8 1 0.5620 0.2953 0.8047 11.00000 0.05 0.25 Q9 1 0.6232 0.1466 1.0000 10.50000 0.05 0.23 Q10 1 0.5466 0.3238 0.7299 11.00000 0.05 0.22 Q11 1 0.4588 0.4424 1.1275 11.00000 0.05 0.22 Q12 1 0.7342 0.1697 1.0000 10.50000 0.05 0.22 Q13 1 0.5185 0.3402 0.7410 11.00000 0.05 0.21 Q14 1 0.4139 0.5765 0.5000 10.50000 0.05 0.21 Q15 1 0.5654 0.3482 0.7262 11.00000 0.05 0.19 Q16 1 0.5531 0.5555 0.5928 11.00000 0.05 0.19 Q17 1 0.5771 0.2787 0.7162 11.00000 0.05 0.19 Q18 1 0.6232 0.3144 0.7207 11.00000 0.05 0.18 Q19 1 0.6065 0.3661 0.7535 11.00000 0.05 0.16 Q20 1 0.6028 0.0786 0.4533 11.00000 0.05 0.16 ; _shelx_res_checksum 17027 _shelx_hkl_file ; 1 1 0 3530.25 82.49 1 -1 0 3234.68 83.19 -1 -1 0 3656.33 82.49 2 0 0 1591.14 38.30 2 0 0 1627.34 39.10 2 0 0 1652.83 38.40 -2 0 0 1561.54 38.70 2 2 0 735.03 17.80 2 2 0 755.72 18.00 -2 -2 0 756.62 18.00 -2 2 0 740.73 17.70 2 -2 0 753.72 17.70 -2 -2 0 753.42 17.80 3 1 0 9999.00 228.88 -1 3 0 9495.15 227.78 3 1 0 9596.74 228.58 -3 1 0 161.58 4.10 3 -1 0 161.98 4.20 3 -1 0 158.38 4.00 -3 1 0 157.38 4.20 1 3 0 163.78 4.50 1 3 0 146.39 4.10 -1 -3 0 160.08 4.10 -3 -3 0 159.18 4.70 3 -3 0 159.48 4.20 3 3 0 157.08 4.40 3 3 0 160.08 4.60 -3 -3 0 163.78 4.30 -3 3 0 160.98 4.30 -2 4 0 8511.95 199.28 -4 -2 0 8409.46 200.38 4 2 0 8519.15 200.18 4 2 0 8145.09 199.68 -4 -2 0 8473.05 199.48 4 0 0 225.08 6.00 4 0 0 233.88 6.10 4 0 0 234.18 5.80 2 4 0 1358.96 32.80 2 4 0 1397.76 33.30 -4 2 0 1415.56 32.70 4 -2 0 1409.96 32.60 -2 -4 0 1373.06 32.70 -4 2 0 1365.96 33.00 -4 -4 0 3270.87 76.09 4 4 0 3201.78 75.89 -4 -4 0 3038.10 74.09 4 -4 0 3152.58 74.89 4 4 0 2974.60 73.79 -4 4 0 3178.28 75.89 -3 5 0 2841.72 64.89 -5 -3 0 2794.52 65.09 5 3 0 2618.74 63.69 -5 -3 0 2628.24 63.89 5 3 0 2630.54 63.79 5 1 0 6560.84 158.48 5 1 0 6760.92 157.38 -1 5 0 6478.45 156.58 5 1 0 6710.53 156.28 -5 -1 0 6527.85 156.28 -1 -5 0 1953.30 45.90 -5 1 0 1928.91 46.20 5 -1 0 2096.09 46.90 5 -1 0 1935.91 46.20 -5 1 0 2017.90 46.60 5 -1 0 1789.52 46.10 5 -3 0 2940.51 68.49 3 5 0 2917.01 69.09 -5 3 0 2757.92 67.79 -5 3 0 2894.31 68.09 -3 -5 0 2916.21 68.59 3 5 0 2832.32 68.09 5 5 0 466.15 12.20 -5 5 0 469.25 12.00 5 5 0 462.75 12.40 -5 -5 0 474.35 11.90 -5 -5 0 475.45 12.70 -6 -4 0 49.90 2.70 -4 6 0 63.99 2.40 6 4 0 53.09 2.50 6 4 0 54.39 2.40 -2 6 0 2763.22 66.59 6 2 0 2965.60 68.59 6 2 0 2835.52 66.79 -6 -2 0 2758.02 66.89 6 0 0 1848.42 44.00 6 0 0 1859.51 44.00 6 0 0 1839.42 43.60 -6 0 0 1862.81 44.10 -6 2 0 3636.74 84.19 -6 2 0 3368.46 83.19 6 -2 0 3554.54 85.59 -2 -6 0 3587.64 84.29 6 -2 0 3663.43 83.99 2 6 0 3434.36 83.69 4 6 0 1960.70 47.40 -6 4 0 2011.30 47.10 4 6 0 2033.10 47.80 -4 -6 0 1946.21 46.90 6 -4 0 1970.50 46.80 -6 4 0 2007.40 47.50 6 6 0 1259.67 30.90 6 6 0 1265.87 31.00 -6 6 0 1242.48 30.50 -6 -6 0 1246.88 30.40 -6 -6 0 1285.87 31.40 -6 6 0 1244.88 30.90 7 5 0 863.11 21.70 -7 -5 0 854.31 22.10 -5 7 0 855.71 21.40 7 5 0 878.01 21.80 7 3 0 3089.19 74.39 7 3 0 3191.08 74.49 -7 -3 0 3178.18 74.69 -3 7 0 3130.79 74.19 7 1 0 54.49 2.40 7 1 0 55.79 2.40 7 1 0 55.79 2.10 -1 7 0 56.89 2.30 -7 -1 0 54.39 2.50 -7 1 0 901.91 22.20 -1 -7 0 899.51 21.60 7 -1 0 912.01 22.20 7 -1 0 906.71 22.10 7 -1 0 878.31 21.50 -3 -7 0 4820.72 110.89 -7 3 0 4767.72 110.49 3 7 0 4399.36 109.99 -7 3 0 4519.75 109.59 7 -3 0 4680.63 110.59 7 -3 0 4801.22 112.79 5 7 0 1171.88 28.70 -7 5 0 1148.49 28.00 5 7 0 1142.09 28.30 -5 -7 0 1148.39 27.70 -7 5 0 1169.08 28.50 7 -5 0 1123.79 27.50 -7 -7 0 887.11 23.10 7 7 0 883.51 22.60 7 7 0 883.71 22.50 -7 7 0 872.41 22.50 -7 7 0 869.51 22.00 8 6 0 667.73 17.80 -6 8 0 661.83 17.30 8 6 0 695.43 17.80 -8 -6 0 672.03 18.30 8 4 0 1249.18 30.40 -8 -4 0 1199.38 30.70 8 4 0 1218.48 30.40 -4 8 0 1261.37 30.20 -2 8 0 1572.14 38.50 8 2 0 1604.34 38.70 8 2 0 1583.94 38.70 8 2 0 1595.44 38.10 -8 -2 0 1645.74 38.90 8 0 0 762.02 19.50 0 8 0 780.52 19.40 8 0 0 815.62 19.60 0 -8 0 775.42 19.00 -8 0 0 763.22 19.60 8 0 0 778.22 18.90 8 -2 0 1035.20 25.00 -8 2 0 1027.80 25.90 -8 2 0 1048.70 25.20 8 -2 0 1055.19 25.80 2 8 0 1104.49 26.60 -2 -8 0 1012.90 25.00 -8 4 0 483.65 12.90 8 -4 0 473.15 12.00 -8 4 0 487.85 12.40 -4 -8 0 485.75 12.10 8 -4 0 485.55 12.70 4 8 0 474.75 13.30 8 -6 0 1983.30 49.10 6 8 0 2135.89 49.99 6 8 0 2005.70 49.50 -8 6 0 2037.10 49.10 -6 -8 0 2031.50 48.80 -8 6 0 2103.39 49.70 -8 8 0 1399.26 34.10 8 8 0 1374.86 34.10 -8 8 0 1360.46 33.50 8 -8 0 1352.16 33.20 8 8 0 1350.76 34.10 -8 -8 0 1326.97 34.80 -7 9 0 1025.90 25.80 9 7 0 1016.50 26.30 9 7 0 1022.90 26.10 -9 -7 0 1029.90 26.90 -7 9 0 1010.30 26.20 -5 9 0 646.04 16.90 9 5 0 657.93 17.30 -9 -5 0 621.24 18.00 9 5 0 665.13 17.20 -3 9 0 1659.93 42.10 9 3 0 1762.72 42.50 -9 -3 0 1744.43 42.70 9 3 0 1770.82 42.40 9 3 0 1791.42 41.80 -9 -1 0 697.63 18.40 9 1 0 703.53 18.30 9 1 0 709.53 17.60 -1 9 0 734.53 18.20 9 1 0 722.13 18.20 1 9 0 1658.33 39.00 9 -1 0 1577.94 37.00 1 9 0 1548.05 37.70 9 -1 0 1547.65 37.80 -1 -9 0 1552.14 37.00 -9 1 0 1520.85 38.00 9 -1 0 1521.95 37.90 -9 3 0 666.63 16.50 9 -3 0 669.63 17.10 -9 3 0 665.03 17.30 9 -3 0 661.03 16.20 -3 -9 0 658.73 16.20 -9 5 0 594.64 15.70 5 9 0 593.44 16.10 -5 -9 0 594.54 14.70 9 -5 0 560.24 15.30 9 -5 0 589.34 14.50 -9 5 0 582.74 15.00 7 9 0 708.53 19.10 -9 7 0 692.93 18.20 7 9 0 715.53 18.80 -9 7 0 706.73 18.90 9 -7 0 721.03 18.30 9 9 0 864.41 22.80 -9 9 0 861.91 22.10 -9 9 0 848.62 22.70 9 -9 0 860.11 22.10 9 9 0 828.32 22.70 -9 -9 0 849.52 23.60 -8 10 0 423.66 12.50 -10 -8 0 409.66 13.30 -8 10 0 388.56 12.70 10 8 0 397.26 12.20 10 8 0 416.26 12.80 8 -10 0 418.56 11.30 -6 10 0 353.06 10.30 10 6 0 350.56 10.70 10 6 0 349.17 10.50 -10 -6 0 348.07 11.10 10 4 0 2323.57 55.29 10 4 0 2319.47 55.99 -4 10 0 2305.67 55.79 10 4 0 2297.77 56.19 -10 -4 0 2355.36 56.49 10 2 0 571.34 15.20 10 2 0 544.65 15.20 10 2 0 568.14 14.30 -2 10 0 573.34 15.00 -10 -2 0 561.84 15.30 10 0 0 639.44 16.60 0 10 0 639.34 16.60 0 -10 0 664.43 15.80 10 0 0 624.64 16.70 10 0 0 633.14 15.70 -10 0 0 619.74 16.80 2 10 0 1731.23 42.80 10 -2 0 1785.42 43.10 -2 -10 0 1732.73 41.90 2 10 0 1881.01 44.20 -10 2 0 1785.02 43.20 10 -2 0 1721.83 41.90 -4 -10 0 771.12 18.60 10 -4 0 791.82 19.70 -10 4 0 687.73 21.10 4 10 0 795.42 20.60 -10 4 0 761.22 19.00 10 -4 0 754.22 18.50 -10 6 0 365.06 10.20 -10 6 0 365.26 10.90 6 10 0 363.66 11.30 10 -8 0 492.55 13.50 8 10 0 471.95 14.10 -10 8 0 491.75 14.30 -10 8 0 508.05 13.60 8 10 0 495.35 14.50 10 10 0 560.34 17.30 -10 10 0 614.14 16.80 -10 10 0 605.74 17.50 10 -10 0 645.64 16.40 10 10 0 593.84 17.50 9 -11 0 723.23 18.20 11 9 0 664.53 19.40 -9 11 0 679.63 19.50 -11 -9 0 677.33 20.50 -9 11 0 696.43 18.90 11 9 0 715.33 19.90 11 7 0 478.35 14.40 11 7 0 463.05 14.00 7 -11 0 504.55 12.90 -11 -7 0 488.25 15.10 -7 11 0 487.55 13.80 11 5 0 591.44 15.70 -5 11 0 602.44 16.20 -11 -5 0 598.54 17.00 11 5 0 600.44 16.70 11 5 0 591.54 16.30 -11 -3 0 641.94 18.00 11 3 0 660.73 17.80 11 3 0 661.23 17.60 11 3 0 676.63 16.80 -3 11 0 661.53 17.50 11 1 0 1080.09 27.10 11 1 0 1053.69 25.80 -11 -1 0 1063.79 27.20 11 1 0 1062.89 26.90 1 -11 0 1062.59 25.80 -1 11 0 1075.79 26.90 -11 1 0 1337.07 33.30 11 -1 0 1339.27 33.00 11 -1 0 1307.77 33.10 1 11 0 1407.76 34.40 11 -1 0 1316.77 31.80 -1 -11 0 1282.57 31.60 1 11 0 1331.77 32.90 11 -3 0 276.97 8.30 3 11 0 257.57 8.00 -11 3 0 257.27 8.40 3 11 0 249.97 9.00 11 -3 0 256.27 7.00 -3 -11 0 267.07 6.90 11 -5 0 975.00 24.90 -11 5 0 989.40 24.30 5 11 0 994.80 26.00 -5 -11 0 956.40 23.80 -11 5 0 973.90 25.40 7 11 0 849.72 23.20 11 -7 0 867.11 22.20 -11 7 0 846.82 21.90 -11 7 0 865.01 22.90 11 -9 0 253.77 8.10 -11 9 0 237.88 9.10 -11 9 0 244.18 9.10 9 11 0 217.58 9.20 12 8 0 291.37 10.60 -8 12 0 320.77 11.00 -12 -8 0 309.77 11.90 12 8 0 317.07 11.10 -8 12 0 313.37 10.40 8 -12 0 334.37 9.30 -12 -6 0 454.35 14.20 12 6 0 447.16 13.80 -6 12 0 458.75 13.20 12 6 0 435.76 13.30 12 6 0 454.45 12.70 -12 -4 0 887.21 24.20 12 4 0 903.81 22.60 -4 12 0 902.81 23.50 12 4 0 916.91 24.00 12 4 0 896.11 23.50 -2 12 0 322.67 9.70 2 -12 0 309.47 8.60 12 2 0 312.07 8.60 12 2 0 306.37 9.60 -12 -2 0 318.57 10.20 12 2 0 312.37 9.90 0 12 0 988.10 24.70 -12 0 0 978.80 25.10 12 0 0 936.11 24.50 12 0 0 944.21 24.80 0 12 0 949.90 26.10 12 0 0 983.80 23.30 0 -12 0 940.11 23.10 -2 -12 0 764.12 18.70 2 12 0 783.62 21.70 -12 2 0 784.82 20.70 12 -2 0 787.02 18.90 2 12 0 773.52 20.30 12 -2 0 757.62 20.40 4 12 0 735.83 18.60 12 -4 0 688.63 18.60 4 12 0 702.53 19.80 -4 -12 0 663.43 17.10 12 -4 0 700.43 17.10 -12 4 0 695.03 19.00 -12 6 0 383.66 10.90 12 -6 0 403.66 11.70 6 12 0 384.06 12.80 -12 6 0 401.46 12.30 6 12 0 403.36 11.60 -12 8 0 482.95 13.70 8 12 0 503.75 13.90 12 -8 0 491.85 14.00 -12 8 0 476.05 14.90 -7 13 0 101.09 5.70 7 -13 0 108.79 4.30 13 7 0 97.69 5.40 13 7 0 102.49 6.20 13 7 0 82.79 6.10 -13 -7 0 92.79 7.20 -13 -5 0 827.12 23.60 13 5 0 832.02 22.70 13 5 0 845.82 23.30 13 5 0 904.41 22.20 -5 13 0 838.72 22.70 13 3 0 394.06 12.10 -13 -3 0 411.86 13.00 13 3 0 411.26 11.00 -3 13 0 403.46 12.30 13 3 0 410.06 12.60 -13 -1 0 437.46 13.10 1 -13 0 401.26 10.60 13 1 0 427.36 12.80 13 1 0 419.16 11.00 13 1 0 422.66 12.40 -1 13 0 437.16 12.60 13 -1 0 662.43 18.30 13 -1 0 677.93 16.40 -13 1 0 658.63 18.40 1 13 0 656.53 19.60 1 13 0 668.23 18.10 3 13 0 646.84 19.20 13 -3 0 643.84 17.90 -13 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13.50 2.60 -11 6 -3 11.90 2.10 6 11 -3 13.40 2.60 6 11 -3 12.30 2.30 -6 -11 3 11.00 1.80 11 -6 3 12.50 1.80 -11 6 3 12.20 2.20 6 11 3 12.40 2.50 8 11 -3 5.50 2.30 -11 8 -3 4.80 2.50 -11 8 -3 5.70 2.30 8 11 -3 2.20 2.30 11 -8 -3 1.30 2.10 -11 8 3 3.20 1.40 8 11 3 2.90 1.50 8 11 3 1.40 3.00 -11 8 3 -1.20 1.90 -8 -11 3 4.60 1.70 11 -8 3 -0.90 1.50 -7 12 -3 1.10 2.30 -7 12 -3 -1.00 2.50 -12 -7 -3 5.40 3.10 7 -12 -3 -1.20 1.40 12 7 -3 0.10 1.40 12 7 -3 0.20 2.60 12 7 -3 0.30 2.10 -7 12 3 0.70 1.70 -12 -7 3 5.20 3.00 12 7 3 0.60 1.80 12 7 3 -0.70 2.50 12 5 -3 13.60 2.20 -5 12 -3 11.20 2.60 -12 -5 -3 7.60 2.60 12 5 -3 13.40 3.00 12 5 -3 8.90 1.10 -12 -5 3 13.90 2.70 12 5 3 10.30 2.30 -5 12 3 11.10 1.90 12 5 3 13.30 2.00 12 5 3 12.10 2.40 12 3 -3 2.90 2.10 -3 12 -3 5.00 2.10 -12 -3 -3 2.20 1.90 12 3 -3 4.10 1.60 12 3 3 1.90 1.30 -3 12 3 3.80 1.40 -12 -3 3 0.30 1.70 12 3 3 1.80 1.90 12 3 3 6.60 1.90 -12 -1 -3 -0.90 1.60 -1 12 -3 1.90 1.70 12 1 -3 0.20 2.00 12 1 3 -1.50 1.50 12 1 3 -0.10 1.20 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20.20 2.20 4 -7 5 22.40 2.00 7 4 5 19.90 2.10 -7 -4 5 17.20 2.10 7 4 5 21.50 2.50 -2 7 -5 1.50 1.00 7 2 -5 1.30 1.40 -2 7 -5 1.00 1.10 -7 -2 -5 -1.00 0.90 -7 -2 5 1.10 0.80 2 -7 5 0.00 0.70 -7 -2 5 0.80 0.80 7 2 5 0.90 1.10 7 0 -5 22.40 2.70 -7 0 -5 24.60 2.10 0 7 -5 30.20 2.50 0 7 -5 25.00 2.30 0 -7 5 21.80 1.70 7 0 5 25.00 2.20 7 0 5 28.00 2.70 -7 0 5 25.90 1.90 -7 0 5 23.50 1.60 -7 2 -5 0.20 0.90 -7 2 -5 1.20 1.10 7 -2 -5 -0.10 1.10 2 7 -5 1.00 1.00 2 7 -5 0.40 1.00 7 -2 5 -0.10 0.80 -2 -7 5 -1.30 1.10 -2 -7 5 0.50 0.70 2 7 5 0.80 0.90 7 -2 5 -0.10 1.00 -7 2 5 0.10 0.60 -7 2 5 0.00 0.70 4 7 -5 6.50 1.40 -7 4 -5 3.60 1.30 -7 4 -5 6.80 1.40 4 7 -5 6.60 1.20 7 -4 -5 4.00 1.50 4 7 5 6.00 0.70 -7 4 5 5.10 1.00 -4 -7 5 5.30 1.40 7 -4 5 6.90 1.50 -7 4 5 6.30 0.70 -7 4 5 8.00 1.00 -7 4 5 6.60 0.70 4 7 5 6.00 1.20 -7 6 -5 68.19 4.00 6 7 -5 75.29 3.60 -7 6 -5 73.59 3.90 7 -6 -5 75.29 4.00 6 7 -5 66.89 3.20 -7 6 5 69.69 2.50 6 7 5 72.79 3.80 7 -6 5 74.49 3.60 -6 -7 5 72.89 3.90 6 7 5 70.59 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-5 9 -8 304.07 11.70 -9 -5 8 337.67 11.20 -5 9 8 320.27 10.50 9 5 8 310.47 10.90 -3 9 -8 702.53 19.90 -9 -3 -8 692.73 17.90 -3 9 -8 666.03 18.50 -9 -3 8 600.84 21.40 9 3 8 687.73 18.70 -1 9 -8 291.37 9.30 -1 9 -8 298.27 10.90 -9 -1 -8 306.47 9.50 -1 9 -8 315.07 9.30 -9 -1 8 305.67 9.30 9 1 8 301.17 10.00 -9 -1 8 303.37 9.90 1 -9 8 308.97 9.50 9 1 8 294.57 10.70 1 9 -8 653.53 18.80 -9 1 -8 647.74 17.30 1 9 -8 654.53 16.60 -1 -9 8 651.13 17.10 -1 -9 8 640.74 19.50 1 9 8 647.54 17.50 -9 1 8 652.03 17.50 -9 1 8 636.44 16.60 9 -1 8 633.44 18.00 9 -1 8 619.74 18.40 3 9 -8 243.88 7.90 3 9 -8 284.87 10.30 -9 3 -8 284.77 9.30 -9 3 8 280.87 9.10 9 -3 8 326.27 12.50 -3 -9 8 296.47 11.20 3 9 8 275.57 11.20 3 9 8 311.67 9.60 -9 3 8 303.17 8.40 -9 5 -8 304.87 11.30 5 9 -8 311.37 10.80 -9 5 -8 313.27 10.30 5 9 8 312.07 10.40 -9 5 8 304.97 8.90 -4 10 -8 685.73 18.60 -4 10 -8 662.13 20.30 -10 -4 -8 678.53 18.50 -4 10 -8 654.63 19.40 -10 -4 8 685.53 19.30 -2 10 -8 307.67 10.50 -2 10 -8 317.17 11.70 -2 10 -8 323.17 10.20 -10 -2 -8 320.87 10.30 10 2 8 294.07 10.80 -2 10 8 312.17 10.20 -10 -2 8 304.67 10.10 0 10 -8 424.46 12.00 0 10 -8 431.96 14.00 0 10 -8 422.26 12.10 -10 0 -8 401.86 12.30 -10 0 8 405.76 11.80 0 10 8 403.66 12.40 10 0 8 375.46 12.80 2 10 -8 550.84 14.70 2 10 -8 545.35 14.70 -10 2 -8 554.04 15.60 2 10 -8 558.34 17.00 2 10 8 534.05 15.70 -10 2 8 558.24 14.70 -10 2 8 524.35 15.30 -10 4 -8 329.57 11.60 -10 4 -8 325.17 10.60 4 10 -8 304.37 11.40 -10 4 8 306.07 9.90 4 10 8 304.07 10.70 -10 4 8 308.07 9.30 0 1 9 0.50 1.40 0 1 9 1.00 0.70 0 -1 9 0.10 1.30 0 1 9 3.80 1.60 1 0 9 -0.30 0.80 -1 0 9 2.70 1.80 -1 0 9 0.80 1.30 0 -1 9 -0.60 1.60 1 0 9 -0.50 1.40 -1 2 -9 3.60 1.80 -2 -1 9 10.30 2.30 -1 2 9 5.30 1.80 2 1 9 7.00 1.20 -1 2 9 8.30 1.10 -2 -1 9 5.00 1.50 1 -2 9 8.30 1.70 -1 2 9 9.60 1.80 2 1 9 5.20 1.80 1 2 -9 3.70 1.60 2 -1 9 4.20 1.80 -1 -2 9 1.80 1.30 1 2 9 0.90 1.40 -2 1 9 2.30 1.50 -1 -2 9 1.40 1.80 1 2 9 2.20 0.80 -2 1 9 4.00 1.40 2 -1 9 1.40 1.10 -2 3 -9 0.00 1.70 3 2 9 2.80 1.80 2 -3 9 1.90 1.70 -3 -2 9 0.20 1.80 -3 -2 9 2.40 1.20 -2 3 9 2.10 1.40 -2 3 9 -0.40 1.40 3 2 9 1.60 1.10 0 3 -9 1.80 1.50 0 -3 9 7.70 2.40 0 3 9 3.80 1.60 0 3 9 2.50 0.80 0 3 9 5.80 1.80 0 -3 9 2.70 1.50 3 0 9 2.30 1.10 3 0 9 2.50 1.70 -3 0 9 2.00 1.70 2 3 -9 6.10 1.80 -3 2 -9 9.90 2.00 -3 2 9 5.50 1.70 3 -2 9 6.00 1.90 2 3 9 9.20 2.20 -2 -3 9 8.30 2.40 -2 -3 9 9.80 1.50 2 3 9 9.10 1.30 -3 2 9 6.30 1.60 4 3 -9 3.40 1.60 -3 4 -9 2.00 2.00 3 -4 9 3.10 1.80 -3 4 9 6.00 1.60 -3 4 9 5.20 1.70 4 3 9 5.20 1.50 -4 -3 9 2.50 2.20 4 3 9 3.30 2.10 -4 -3 9 4.50 1.20 -1 4 -9 -1.60 1.60 -1 4 9 4.80 1.60 -4 -1 9 0.50 1.80 -1 4 9 0.80 1.30 -4 -1 9 0.50 1.10 4 1 9 2.00 1.50 -1 4 9 2.60 0.80 1 -4 9 3.10 1.50 4 1 9 0.50 1.80 1 4 -9 12.20 2.20 1 4 9 11.80 2.40 -4 1 9 7.70 1.60 1 4 9 11.40 2.40 4 -1 9 9.90 2.10 1 4 9 7.70 1.30 -1 -4 9 11.30 2.50 4 -1 9 9.40 1.70 -4 1 9 8.50 1.90 -1 -4 9 11.80 1.80 -4 3 -9 1.70 1.90 3 4 -9 1.80 1.70 -4 3 9 6.50 1.60 -3 -4 9 4.60 1.30 -3 -4 9 7.40 2.30 3 4 9 2.60 2.00 -4 3 9 2.90 1.50 3 4 9 3.90 1.30 4 -3 9 3.50 1.90 5 4 -9 -1.70 1.70 -4 5 -9 5.00 2.30 -4 5 9 1.60 1.70 5 4 9 -1.80 2.10 -5 -4 9 -2.40 1.80 -5 -4 9 1.20 1.10 -4 5 9 1.00 1.20 5 4 9 1.60 1.40 4 -5 9 -0.20 1.90 -2 5 -9 5.20 1.90 -2 5 9 5.60 1.00 -5 -2 9 7.30 2.10 -2 5 9 4.50 1.50 -5 -2 9 5.90 1.20 5 2 9 4.50 1.90 -2 5 9 5.20 1.80 2 -5 9 5.50 1.80 5 2 9 5.50 1.60 0 5 -9 2.90 1.90 0 5 9 7.20 2.00 0 -5 9 7.40 2.60 5 0 9 6.40 2.10 0 5 9 4.10 1.50 5 0 9 5.60 1.50 -5 0 9 7.30 1.90 0 5 9 2.40 1.10 -5 0 9 5.10 1.20 -5 0 9 6.10 1.30 0 -5 9 3.60 1.60 2 5 -9 -0.60 1.60 2 5 9 3.60 1.60 2 5 9 0.90 1.90 -2 -5 9 -1.90 2.00 -2 -5 9 1.90 1.30 -5 2 9 1.70 1.50 -5 2 9 2.80 1.30 5 -2 9 2.60 1.90 2 5 9 2.80 1.30 5 -2 9 1.30 1.50 -5 4 -9 5.90 1.10 -5 4 -9 5.00 1.30 4 5 -9 5.60 2.00 -5 4 -9 7.30 2.40 -5 4 9 4.30 1.50 -4 -5 9 3.90 2.40 -5 4 9 7.00 1.70 4 5 9 5.50 1.60 5 -4 9 5.50 2.30 4 5 9 3.70 2.30 -4 -5 9 9.10 1.50 -5 6 -9 -1.60 2.40 -5 6 -9 1.90 2.10 6 5 -9 1.40 2.00 -5 6 -9 0.20 1.50 6 5 9 2.00 1.90 -5 6 9 3.00 1.90 -5 6 9 2.10 1.30 -3 6 -9 5.30 2.40 -3 6 9 -0.80 1.70 -3 6 9 1.80 1.20 -6 -3 9 3.40 1.00 6 3 9 5.30 1.70 6 3 9 2.80 2.20 -6 -3 9 2.50 2.20 3 -6 9 2.50 1.80 -1 6 -9 -0.10 2.00 -1 6 9 0.70 1.90 6 1 9 1.50 2.20 -6 -1 9 0.30 1.70 -1 6 9 -0.90 1.20 6 1 9 0.90 1.50 -6 -1 9 1.10 0.90 1 -6 9 0.90 1.50 -1 6 9 0.10 1.10 -6 -1 9 -0.90 1.30 1 6 -9 6.50 2.20 -6 1 9 6.80 1.90 1 6 9 9.90 1.70 1 6 9 5.00 1.50 6 -1 9 5.10 2.20 -1 -6 9 7.60 2.70 1 6 9 8.20 2.40 -6 1 9 7.20 1.20 -6 1 9 8.20 1.20 6 -1 9 6.00 1.70 -1 -6 9 9.30 1.90 -6 3 -9 3.30 1.30 -6 3 -9 4.60 2.30 3 6 -9 0.00 2.00 -6 3 9 4.30 1.40 -3 -6 9 3.40 1.40 -6 3 9 3.50 1.50 3 6 9 3.90 1.70 3 6 9 3.90 2.20 -3 -6 9 -2.40 2.20 3 6 9 6.80 1.70 6 -3 9 5.10 2.40 -6 5 -9 2.10 2.30 -6 5 -9 6.50 1.80 5 6 -9 3.00 4.00 -6 5 9 2.80 1.40 -6 5 9 6.50 1.70 5 6 9 3.00 1.80 -6 5 9 2.70 1.00 -6 7 -9 4.20 2.80 7 6 -9 -2.00 2.10 -6 7 -9 2.50 2.40 -6 7 9 2.20 2.10 -6 7 9 1.00 1.40 7 6 9 1.00 2.20 -4 7 -9 -3.60 2.30 -4 7 -9 -0.20 2.00 -4 7 -9 0.30 1.60 -4 7 9 1.00 1.00 7 4 9 0.00 1.90 -4 7 9 1.80 2.10 -2 7 -9 11.20 2.80 7 2 9 14.00 3.00 -7 -2 9 9.60 2.10 2 -7 9 5.20 2.10 -2 7 9 9.90 1.30 -2 7 9 10.30 2.40 -7 -2 9 10.80 2.30 7 2 9 9.60 2.20 -2 7 9 10.50 1.80 0 7 -9 1.30 2.20 -7 0 9 1.80 1.80 -7 0 9 1.00 0.80 -7 0 9 1.00 1.30 0 7 9 -1.20 1.40 0 -7 9 -2.70 1.60 0 7 9 1.60 2.20 0 -7 9 1.70 2.60 7 0 9 1.30 1.80 0 7 9 1.10 1.10 7 0 9 4.80 2.50 2 7 -9 0.70 2.20 -7 2 -9 1.70 1.40 2 7 9 1.10 2.40 2 7 9 3.60 1.40 -2 -7 9 3.30 1.50 -7 2 9 2.10 0.90 2 7 9 4.70 1.70 -2 -7 9 -0.50 2.60 -7 2 9 2.70 1.50 -7 2 9 1.20 1.10 7 -2 9 4.70 2.40 7 -2 9 3.70 2.00 -7 4 -9 5.90 2.40 -7 4 -9 -2.00 1.70 4 7 -9 0.80 2.30 -4 -7 9 -0.70 1.40 -7 4 9 1.50 1.30 -7 4 9 1.00 1.00 4 7 9 2.00 2.00 -7 4 9 -1.20 1.40 -7 6 -9 0.70 2.50 6 7 -9 3.10 2.60 -7 6 -9 -2.60 2.60 -7 6 9 1.40 1.40 -7 6 9 1.10 1.80 -7 6 9 2.40 1.60 -5 8 -9 2.90 3.10 -5 8 -9 4.90 2.70 -5 8 -9 5.90 3.30 8 5 9 6.70 2.70 -5 8 9 0.20 2.50 -3 8 -9 -3.90 2.70 -3 8 -9 -2.10 2.10 -3 8 -9 -0.60 1.70 8 3 9 -2.30 2.10 -3 8 9 1.70 1.00 -3 8 9 3.60 2.60 -8 -3 9 2.00 2.20 -1 8 -9 -0.80 2.60 -1 8 9 0.50 0.80 -8 -1 9 2.90 1.70 -1 8 9 2.30 2.60 -1 8 9 0.80 1.70 -8 -1 9 4.20 2.00 1 -8 9 -0.50 1.90 8 1 9 2.70 2.00 -8 1 -9 5.50 1.90 1 8 -9 6.90 2.70 -8 1 9 8.20 2.20 1 8 9 3.30 2.80 8 -1 9 7.00 2.30 -8 1 9 8.30 1.70 1 8 9 7.60 1.10 1 8 9 5.50 1.90 -1 -8 9 10.30 2.00 -8 3 -9 0.90 2.00 3 8 -9 2.70 2.60 -8 3 9 3.00 1.70 3 8 9 3.30 2.10 3 8 9 -0.70 1.30 -3 -8 9 0.00 1.50 -8 3 9 2.10 1.20 -8 5 -9 -2.10 2.90 -8 5 -9 -1.00 2.90 5 8 -9 -2.20 2.60 -8 5 9 1.30 1.70 5 8 9 -4.60 2.20 -2 9 -9 2.00 2.30 -2 9 -9 0.90 2.00 -2 9 -9 2.00 3.10 -9 -2 9 4.30 2.70 -2 9 9 3.00 2.60 9 2 9 -0.50 2.50 -2 9 9 0.30 2.90 -9 0 -9 -0.70 2.20 0 9 -9 -0.10 2.90 0 9 -9 0.00 1.40 0 9 -9 1.50 1.80 -9 0 9 1.90 1.80 9 0 9 3.00 2.50 0 9 9 -2.20 2.00 0 9 9 1.80 3.00 2 9 -9 2.40 3.00 -9 2 -9 -3.00 2.20 -9 2 9 1.10 2.10 -2 -9 9 -1.20 1.80 2 9 9 1.50 2.20 -9 2 9 -0.40 1.60 0 0 10 691.43 18.90 0 0 10 694.53 20.00 1 -1 10 431.86 12.80 -1 -1 10 418.36 13.70 1 1 10 414.06 11.20 -1 1 10 424.16 13.30 1 1 10 427.26 12.90 1 1 10 402.06 13.40 -1 -1 10 430.46 12.40 -1 1 10 429.36 12.60 -1 1 10 418.76 10.80 0 -2 10 562.74 15.50 0 -2 10 530.05 16.80 2 0 10 549.85 14.40 0 2 10 545.75 15.70 -2 0 10 542.65 16.30 2 0 10 553.64 15.90 -2 0 10 568.34 15.20 0 2 10 543.05 16.10 0 2 10 531.45 13.80 -2 2 10 665.13 18.10 -2 2 10 667.33 18.60 -2 -2 10 679.23 19.60 -2 -2 10 657.43 17.80 2 2 10 666.73 17.10 2 -2 10 684.83 18.60 2 2 10 653.83 18.80 -1 3 -10 664.53 18.70 1 -3 10 680.43 18.30 -3 -1 10 658.23 17.60 -1 3 10 665.53 16.20 3 1 10 667.43 18.90 3 1 10 622.74 17.70 -3 -1 10 656.73 19.10 -1 3 10 669.93 18.50 -1 3 10 693.03 18.50 1 3 -10 893.81 24.00 -1 -3 10 880.51 23.50 3 -1 10 921.81 23.20 3 -1 10 912.51 24.40 -3 1 10 927.81 23.40 1 3 10 876.51 24.30 -3 1 10 900.71 24.30 1 3 10 919.11 24.50 1 3 10 911.71 22.40 -1 -3 10 936.21 25.60 -3 3 -10 327.97 10.60 -3 3 10 303.27 9.70 3 3 10 287.47 10.50 -3 -3 10 293.67 8.90 3 -3 10 291.67 10.00 -3 -3 10 293.97 11.00 3 3 10 244.68 9.80 -3 3 10 305.37 9.50 -2 4 -10 330.07 11.30 -4 -2 10 331.47 9.60 -2 4 10 332.07 10.30 4 2 10 340.77 9.80 4 2 10 309.17 11.30 2 -4 10 320.57 10.60 -4 -2 10 339.97 11.60 -2 4 10 330.47 10.60 0 4 -10 289.07 9.90 0 4 10 275.57 9.30 -4 0 10 287.27 8.60 4 0 10 277.47 10.00 0 4 10 278.77 7.70 0 -4 10 274.37 11.10 0 -4 10 264.57 8.90 0 4 10 282.07 9.80 4 0 10 275.07 8.70 -4 0 10 276.37 9.80 2 4 -10 630.44 17.80 -4 2 10 620.94 16.90 -2 -4 10 633.64 17.00 4 -2 10 619.34 18.10 -4 2 10 651.23 17.80 2 4 10 645.84 16.40 2 4 10 641.24 18.40 2 4 10 635.74 18.00 -2 -4 10 620.34 19.10 -4 4 -10 713.43 20.40 4 4 -10 703.43 19.20 -4 -4 10 692.83 18.30 -4 4 10 733.73 19.00 4 4 10 698.83 18.60 -4 4 10 707.63 18.90 -3 5 -10 456.15 15.00 -3 5 10 482.35 14.10 5 3 10 479.45 13.60 -5 -3 10 481.85 12.80 -3 5 10 500.35 13.50 -1 5 -10 431.46 13.70 -1 5 10 437.36 12.50 -5 -1 10 443.36 11.80 -5 -1 10 417.96 13.50 -1 5 10 435.86 13.30 1 -5 10 431.16 12.80 -1 5 10 428.06 11.10 5 1 10 421.46 14.30 5 1 10 432.56 12.40 1 5 -10 453.45 13.90 5 -1 10 469.25 15.20 1 5 10 453.75 12.10 1 5 10 457.25 13.30 1 5 10 436.46 14.10 -5 1 10 451.65 13.60 5 -1 10 451.95 13.10 -1 -5 10 457.65 13.00 3 5 -10 264.97 9.20 -5 3 -10 239.08 9.70 3 5 10 245.78 7.90 3 5 10 249.68 10.80 -5 3 10 250.77 8.00 3 5 10 248.78 9.10 -3 -5 10 242.08 7.90 -5 3 10 248.18 8.50 -5 5 -10 564.84 17.30 5 5 -10 519.45 15.60 5 5 10 572.64 15.60 -5 5 10 547.85 15.00 -5 5 10 559.24 15.30 -5 -5 10 551.24 14.60 -4 6 -10 383.16 13.50 -4 6 10 386.56 12.00 -6 -4 10 392.86 10.50 6 4 10 381.76 11.90 -4 6 10 399.66 11.00 -2 6 -10 483.55 15.30 6 2 10 493.15 14.10 -6 -2 10 482.85 12.70 -2 6 10 476.15 12.50 -2 6 10 473.55 14.60 -2 6 10 512.25 13.30 0 6 -10 715.43 20.40 0 6 10 719.23 20.30 6 0 10 695.73 19.40 0 6 10 726.63 18.20 -6 0 10 733.83 18.00 0 6 10 731.83 19.20 -6 0 10 700.43 19.90 0 -6 10 714.53 19.40 2 6 -10 254.67 9.30 2 6 10 252.17 10.90 -2 -6 10 237.68 8.00 2 6 10 242.78 7.80 2 6 10 238.48 8.30 -6 2 10 235.18 7.30 -6 2 10 236.48 8.50 -6 4 -10 320.47 12.00 4 6 -10 315.97 10.80 -4 -6 10 319.27 9.50 -6 4 10 322.27 9.60 -6 4 10 324.27 10.00 4 6 10 330.67 10.20 -3 7 -10 513.15 16.60 7 3 10 517.85 15.30 -3 7 10 534.55 15.70 -1 7 -10 360.56 12.90 -1 7 10 377.96 10.30 -7 -1 10 373.56 11.00 -1 7 10 343.27 10.30 -7 -1 10 401.06 10.30 7 1 10 393.16 11.90 -1 7 10 360.56 12.40 1 7 -10 386.46 13.00 7 -1 10 393.46 12.20 1 7 10 384.96 11.30 1 7 10 387.46 10.80 -1 -7 10 358.66 11.50 -7 1 10 394.36 10.60 -7 1 10 386.46 12.40 3 7 -10 596.64 17.30 -7 3 10 556.34 16.10 3 7 10 582.34 16.00 -3 -7 10 574.84 15.70 -1 0 11 2.20 2.80 1 0 11 0.80 2.50 1 0 11 -2.40 2.80 0 1 11 -0.60 2.80 0 1 11 4.30 2.50 0 -1 11 -1.00 2.30 -1 0 11 4.00 2.30 0 -1 11 -0.10 3.10 -1 2 11 2.70 2.60 2 1 11 5.50 2.80 2 1 11 -2.50 2.80 2 1 11 3.70 1.60 1 -2 11 1.10 2.50 -2 -1 11 1.20 2.20 -1 2 11 0.10 1.20 -2 -1 11 2.40 3.10 -1 2 11 -5.50 2.30 1 2 11 5.80 1.60 -2 1 11 6.90 2.80 -2 1 11 6.20 2.50 2 -1 11 3.80 2.70 1 2 11 6.00 2.90 1 2 11 7.80 3.00 -1 -2 11 2.00 2.30 -2 3 11 17.70 2.90 3 2 11 17.60 2.20 -2 3 11 17.60 3.00 -3 -2 11 11.20 2.20 3 0 11 6.50 1.90 0 -3 11 7.10 2.50 -3 0 11 8.10 2.30 0 3 11 6.40 1.50 0 3 11 2.80 2.80 -3 0 11 5.30 2.90 0 3 11 4.40 2.80 2 3 11 11.20 2.50 -3 2 11 9.40 2.70 -2 -3 11 9.00 2.40 2 3 11 12.80 3.30 -3 2 11 8.90 2.50 -3 4 -11 -2.70 2.90 -3 4 11 1.20 2.20 4 3 11 3.90 2.10 -1 4 -11 2.90 2.80 -1 4 11 2.80 2.70 -1 4 11 -0.30 2.40 4 1 11 2.80 2.00 -4 -1 11 7.40 2.00 1 4 -11 26.30 3.60 1 4 11 23.80 5.50 1 4 11 26.90 2.80 -4 1 11 23.30 3.40 -1 -4 11 18.10 2.80 1 4 11 23.70 3.60 -4 1 11 24.20 2.80 3 4 11 17.40 3.60 3 4 11 14.70 2.30 -4 3 11 19.90 2.80 0 5 -11 5.90 3.20 0 5 11 5.00 2.40 5 0 11 4.70 2.30 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 93546 _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-y, x, z' '-x, -y, z' 'y, -x, z' 'x+1/2, y+1/2, z+1/2' '-y+1/2, x+1/2, z+1/2' '-x+1/2, -y+1/2, z+1/2' 'y+1/2, -x+1/2, z+1/2' '-x, -y, -z' 'y, -x, -z' 'x, y, -z' '-y, x, -z' '-x+1/2, -y+1/2, -z+1/2' 'y+1/2, -x+1/2, -z+1/2' 'x+1/2, y+1/2, -z+1/2' '-y+1/2, x+1/2, -z+1/2' 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 Cs1 Cs 0.5000 0.5000 0.5000 0.01210(12) Uani 1 8 d S T P . . O1 O 0.57321(18) 0.30958(16) 0.7405(2) 0.0191(4) Uani 1 1 d . . . . . O2 O 0.6434(3) 0.1531(3) 0.5000 0.0208(6) Uani 1 2 d S T P . . C2 C 0.6286(2) 0.14976(19) 0.9130(3) 0.0129(4) Uani 1 1 d . . . . . H2A H 0.7089 0.1357 0.8726 0.015 Uiso 1 1 calc R . . . . H2B H 0.5750 0.0883 0.8726 0.015 Uiso 1 1 calc R . . . . C1 C 0.58542(19) 0.27178(18) 0.8700(3) 0.0100(4) Uani 1 1 d . . . . . N1 N 0.5624(2) 0.3343(2) 1.0000 0.0076(5) Uani 1 2 d S T P . . Ag1 Ag 0.5000 0.5000 1.0000 0.00426(12) Uani 1 8 d S T P . . H2 H 0.624(2) 0.190(2) 0.432(3) 0.005 Uiso 1 1 d R . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Cs1 0.01319(14) 0.01319(14) 0.0099(2) 0.000 0.000 0.000 O1 0.0312(10) 0.0146(8) 0.0114(8) 0.0007(7) -0.0008(7) 0.0062(7) O2 0.0246(14) 0.0202(13) 0.0177(13) 0.000 0.000 0.0072(11) C2 0.0175(11) 0.0076(9) 0.0136(12) -0.0006(8) 0.0003(9) 0.0046(8) C1 0.0101(9) 0.0067(9) 0.0131(11) -0.0018(8) 0.0003(8) 0.0014(7) N1 0.0082(11) 0.0047(11) 0.0100(12) 0.000 0.000 0.0023(9) Ag1 0.00314(14) 0.00314(14) 0.0065(2) 0.000 0.000 0.000 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' Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cs Cs -0.3680 2.1192 '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' 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 O1 Cs1 O1 180.0 10_566 2_655 ? O1 Cs1 O1 84.50(7) 3_665 9_666 ? O1 Cs1 O1 116.88(4) 10_566 . ? O1 Cs1 O1 63.12(4) 11_556 12_656 ? O1 Cs1 O1 63.12(4) 4_565 . ? O1 Cs1 O1 180.0 9_666 . ? O1 Cs1 O1 116.88(4) 10_566 3_665 ? O1 Cs1 O1 95.50(7) 11_556 9_666 ? O1 Cs1 O1 63.12(4) 2_655 3_665 ? O1 Cs1 O1 95.50(7) 3_665 . ? O1 Cs1 O1 116.88(4) 2_655 11_556 ? O1 Cs1 O1 116.88(4) 11_556 4_565 ? O1 Cs1 O1 84.50(7) 11_556 . ? O1 Cs1 O1 84.50(7) 2_655 12_656 ? O1 Cs1 O1 63.12(4) 10_566 11_556 ? O1 Cs1 O1 116.88(4) 2_655 9_666 ? O1 Cs1 O1 63.12(4) 12_656 9_666 ? O1 Cs1 O1 116.88(4) 3_665 12_656 ? O1 Cs1 O1 116.88(4) 4_565 9_666 ? O1 Cs1 O1 63.12(4) 2_655 . ? O1 Cs1 O1 63.12(4) 3_665 4_565 ? O1 Cs1 O1 180.0 11_556 3_665 ? O1 Cs1 O1 95.50(7) 10_566 12_656 ? O1 Cs1 O1 116.88(4) 12_656 . ? O1 Cs1 O1 180.0 12_656 4_565 ? O1 Cs1 O1 84.50(7) 10_566 4_565 ? O1 Cs1 O1 63.12(4) 10_566 9_666 ? O1 Cs1 O1 95.50(7) 2_655 4_565 ? O1 Cs1 Ag1 47.75(3) 10_566 1_554 ? O1 Cs1 Ag1 132.25(3) 4_565 1_554 ? O1 Cs1 Ag1 132.25(3) 10_566 . ? O1 Cs1 Ag1 47.75(3) 3_665 . ? O1 Cs1 Ag1 47.75(3) 4_565 . ? O1 Cs1 Ag1 47.75(3) . . ? O1 Cs1 Ag1 132.25(3) 12_656 . ? O1 Cs1 Ag1 47.75(3) 12_656 1_554 ? O1 Cs1 Ag1 132.25(3) . 1_554 ? O1 Cs1 Ag1 47.75(3) 11_556 1_554 ? O1 Cs1 Ag1 132.25(3) 3_665 1_554 ? O1 Cs1 Ag1 47.75(3) 9_666 1_554 ? O1 Cs1 Ag1 132.25(3) 2_655 1_554 ? O1 Cs1 Ag1 132.25(3) 11_556 . ? O1 Cs1 Ag1 47.75(3) 2_655 . ? O1 Cs1 Ag1 132.25(3) 9_666 . ? Ag1 Cs1 Ag1 180.0 1_554 . ? C1 O1 Cs1 153.91(15) . . ? C2 C2 H2A 110.9 11_557 . ? C2 C2 H2B 110.9 11_557 . ? H2A C2 H2B 108.9 . . ? C1 C2 C2 104.34(13) . 11_557 ? C1 C2 H2A 110.9 . . ? C1 C2 H2B 110.9 . . ? O1 C1 C2 126.0(2) . . ? O1 C1 N1 124.7(2) . . ? N1 C1 C2 109.3(2) . . ? C1 N1 C1 112.7(3) 11_557 . ? C1 N1 Ag1 123.65(13) . . ? C1 N1 Ag1 123.65(13) 11_557 . ? Cs1 Ag1 Cs1 180.0 . 1_556 ? N1 Ag1 Cs1 90.0 9_667 . ? N1 Ag1 Cs1 90.0 9_667 1_556 ? N1 Ag1 Cs1 90.0 . 1_556 ? N1 Ag1 Cs1 90.0 2_655 1_556 ? N1 Ag1 Cs1 90.0 . . ? N1 Ag1 Cs1 90.0 2_655 . ? N1 Ag1 Cs1 90.0 10_567 . ? N1 Ag1 Cs1 90.0 10_567 1_556 ? N1 Ag1 N1 90.0 10_567 9_667 ? N1 Ag1 N1 180.0 10_567 2_655 ? N1 Ag1 N1 90.0 . 2_655 ? N1 Ag1 N1 90.0 . 10_567 ? N1 Ag1 N1 90.000(1) 2_655 9_667 ? N1 Ag1 N1 180.00(15) . 9_667 ? 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 Cs1 O1 3.1283(18) 10_566 ? Cs1 O1 3.1283(18) 2_655 ? Cs1 O1 3.1283(18) . ? Cs1 O1 3.1283(18) 3_665 ? Cs1 O1 3.1283(18) 12_656 ? Cs1 O1 3.1283(18) 11_556 ? Cs1 O1 3.1283(18) 9_666 ? Cs1 O1 3.1283(18) 4_565 ? O1 C1 1.219(3) . ? O2 H2 0.76(3) . ? C2 C2 1.522(5) 11_557 ? C2 H2A 0.9900 . ? C2 H2B 0.9900 . ? C2 C1 1.516(3) . ? C1 N1 1.365(3) . ? N1 C1 1.365(3) 11_557 ? N1 Ag1 2.009(3) . ? Ag1 N1 2.009(3) 2_655 ? Ag1 N1 2.009(3) 10_567 ? Ag1 N1 2.009(3) 9_667 ? 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 Cs1 O1 C1 C2 176.6(2) . . . . ? Cs1 O1 C1 N1 -3.7(5) . . . . ? O1 C1 N1 C1 -178.95(16) . . . 11_557 ? O1 C1 N1 Ag1 1.5(4) . . . . ? C2 C2 C1 O1 179.3(2) 11_557 . . . ? C2 C2 C1 N1 -0.44(19) 11_557 . . . ? C2 C1 N1 C1 0.8(3) . . . 11_557 ? C2 C1 N1 Ag1 -178.76(16) . . . . ?