#------------------------------------------------------------------------------ #$Date: 2021-05-18 09:47:04 +0300 (Tue, 18 May 2021) $ #$Revision: 265292 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/02/23/2022378.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2022378 loop_ _publ_author_name 'Saravanan, Raju' 'Singh, Harkesh B.' 'Butcher, Ray J.' _publ_section_title ; Bis(2-nitrophenyl) selenide, bis(2-aminophenyl) selenide and bis(2-aminophenyl) telluride: structural and theoretical analysis ; _journal_coeditor_code ZO3004 _journal_issue 6 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first ; ; _journal_paper_doi 10.1107/S2053229621005015 _journal_volume 77 _journal_year 2021 _chemical_formula_iupac 'C12 H8 N2 O4 Se' _chemical_formula_moiety 'C12 H8 N2 O4 Se' _chemical_formula_sum 'C12 H8 N2 O4 Se' _chemical_formula_weight 323.16 _chemical_name_systematic ; Bis(2-nitrophenyl) selenide ; _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens difmap _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-2018/3 _cell_angle_alpha 76.603(5) _cell_angle_beta 88.358(5) _cell_angle_gamma 61.263(8) _cell_formula_units_Z 2 _cell_length_a 7.6530(7) _cell_length_b 7.8066(5) _cell_length_c 11.5939(5) _cell_measurement_reflns_used 5131 _cell_measurement_temperature 100(2) _cell_measurement_theta_max 31.0780 _cell_measurement_theta_min 3.0470 _cell_volume 588.04(9) _computing_cell_refinement ; CrysAlis PRO (Rigaku OD, 2015\\) ; _computing_data_collection ; CrysAlis PRO (Rigaku OD, 2015\\) ; _computing_data_reduction ; CrysAlis PRO (Rigaku OD, 2015\\) ; _computing_molecular_graphics ; SHELXTL (Sheldrick, 2008\\) ; _computing_publication_material ; SHELXTL (Sheldrick, 2008\\) ; _computing_structure_refinement ; SHELXL2018 (Sheldrick, 2015b\\) ; _computing_structure_solution ; SHELXT2018 (Sheldrick, 2015a\\) ; _diffrn_ambient_temperature 100(2) _diffrn_detector_area_resol_mean 7.111 _diffrn_measured_fraction_theta_full 0.984 _diffrn_measured_fraction_theta_max 0.986 _diffrn_measurement_device_type 'Rigaku Saturn 724 Dual Source CCD' _diffrn_measurement_method '\w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0408 _diffrn_reflns_av_unetI/netI 0.0383 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_k_min -10 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_number 5993 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 28.276 _diffrn_reflns_theta_min 3.050 _diffrn_source 'fine-focus sealed X-ray tube' _exptl_absorpt_coefficient_mu 3.205 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.59532 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; (CrysAlis PRO; Rigaku OD, 2015\\) ; _exptl_crystal_colour 'clear intense yellow' _exptl_crystal_density_diffrn 1.825 _exptl_crystal_density_method 'not measured' _exptl_crystal_description block _exptl_crystal_F_000 320 _exptl_crystal_size_max 0.240 _exptl_crystal_size_mid 0.200 _exptl_crystal_size_min 0.130 _refine_diff_density_max 1.176 _refine_diff_density_min -0.520 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.025 _refine_ls_hydrogen_treatment refall _refine_ls_matrix_type full _refine_ls_number_parameters 204 _refine_ls_number_reflns 2886 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.025 _refine_ls_R_factor_all 0.0352 _refine_ls_R_factor_gt 0.0321 _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^)+(0.0429P)^2^+0.6023P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0782 _refine_ls_wR_factor_ref 0.0797 _reflns_number_gt 2743 _reflns_number_total 2886 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file zo3004sup1.cif _cod_data_source_block 2 _cod_original_cell_volume 588.04(8) _cod_database_code 2022378 _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_hkl_file ; -10 -6 -3 64.33 15.03 -10 -6 -2 18.82 9.62 -10 -6 -1 70.02 15.03 -10 -6 0 554.31 38.80 -10 -6 1 20.26 10.78 -10 -5 -3 259.37 24.93 -10 -5 -2 231.90 24.05 -10 -5 -1 -0.19 6.71 -10 -5 0 552.14 36.91 -10 -5 1 144.86 20.17 -10 -5 2 121.36 18.55 -10 -5 2 116.78 14.89 -10 -4 -2 12.21 6.61 -10 -4 -1 70.07 14.01 -10 -4 0 166.09 20.72 -10 -4 2 464.36 29.14 -9 -8 -5 90.79 16.93 -9 -8 -4 50.23 13.32 -9 -8 -3 155.40 21.09 -9 -8 -2 174.09 22.99 -9 -8 -1 63.50 15.40 -9 -8 0 463.66 37.42 -9 -8 1 205.77 25.76 -9 -7 -7 437.35 34.36 -9 -7 -6 16.42 8.23 -9 -7 -5 667.81 40.38 -9 -7 -4 607.55 39.87 -9 -7 -3 74.93 15.45 -9 -7 -2 181.58 21.92 -9 -7 -1 5.50 6.98 -9 -7 0 71.23 14.66 -9 -7 1 36.03 11.47 -9 -7 2 440.54 35.66 -9 -7 2 284.90 26.64 -9 -7 3 27.98 11.05 -9 -7 3 27.66 9.02 -9 -7 4 266.13 26.87 -9 -6 -6 148.60 19.80 -9 -6 -5 186.67 22.02 -9 -6 -4 31.45 9.67 -9 -6 -3 657.96 38.30 -9 -6 -2 298.13 26.59 -9 -6 -1 218.49 22.52 -9 -6 0 332.91 28.21 -9 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966.87 23.36 0 3 0 1030.05 24.37 0 3 1 7142.61 58.41 0 3 1 7115.51 60.96 0 3 3 3320.51 41.16 0 3 3 3206.00 42.18 0 3 4 338.97 13.88 0 3 4 334.16 13.74 0 3 5 590.99 18.36 0 3 5 619.06 19.66 0 3 6 1602.81 25.02 0 3 6 1604.94 31.54 0 3 6 1557.53 33.07 0 3 7 8.00 2.31 0 3 7 10.68 3.93 0 3 7 6.85 2.82 0 3 8 2940.66 46.07 0 3 8 2986.91 51.43 0 3 8 3104.94 40.79 0 3 9 475.83 19.29 0 3 9 477.44 21.78 0 3 9 508.29 18.22 0 3 10 163.87 12.03 0 3 10 173.02 14.11 0 3 10 180.61 11.79 0 3 11 2389.86 46.44 0 3 11 2496.05 54.85 0 3 12 38.30 6.89 0 3 12 50.32 8.88 0 3 12 34.18 6.52 0 3 13 1605.36 41.58 0 3 13 1667.98 49.67 0 3 14 41.86 9.11 0 3 15 497.61 30.62 0 4 -5 482.16 23.54 0 4 -4 2855.32 55.13 0 4 -3 527.40 22.94 0 4 -2 210.95 13.92 0 4 -1 794.12 25.62 0 4 0 298.78 15.63 0 4 1 1334.70 30.02 0 4 1 1350.10 32.47 0 4 2 260.44 12.03 0 4 2 285.87 14.43 0 4 2 253.55 13.41 0 4 3 6887.91 71.04 0 4 3 6969.13 68.87 0 4 4 2379.96 42.00 0 4 4 2289.91 40.56 0 4 5 467.55 18.96 0 4 5 463.85 18.82 0 4 6 2209.57 42.46 0 4 6 2290.88 42.92 0 4 7 41.81 6.52 0 4 7 31.45 5.87 0 4 8 5216.32 70.86 0 4 8 5143.06 64.61 0 4 9 136.21 11.05 0 4 9 143.79 12.67 0 4 10 201.24 11.38 0 4 10 177.60 13.04 0 4 11 1452.92 37.42 0 4 11 1486.91 43.80 0 4 11 1569.42 33.25 0 4 12 7.91 5.37 0 4 12 3.52 3.56 0 4 13 601.81 25.81 0 4 13 683.40 32.88 0 4 14 106.84 13.92 0 4 15 378.42 27.06 0 5 -5 163.54 15.59 0 5 -4 1515.08 44.86 0 5 -3 313.07 19.56 0 5 -2 2457.94 52.54 0 5 -1 1133.46 35.20 0 5 0 407.24 20.67 0 5 1 2198.24 45.79 0 5 2 1092.99 32.70 0 5 2 1042.86 32.05 0 5 3 2248.24 44.72 0 5 3 2393.10 46.30 0 5 4 133.80 11.10 0 5 4 149.85 12.30 0 5 5 1490.93 37.51 0 5 5 1473.59 37.09 0 5 6 2147.55 45.74 0 5 6 1974.71 44.08 0 5 7 358.72 19.01 0 5 7 341.65 19.01 0 5 8 2154.07 46.39 0 5 8 2183.17 49.53 0 5 9 7.77 4.53 0 5 9 22.02 6.01 0 5 10 2309.24 51.29 0 5 10 2223.59 53.60 0 5 11 221.36 16.47 0 5 11 177.19 16.00 0 5 12 280.88 18.55 0 5 12 299.80 21.69 0 5 13 578.64 30.80 0 5 14 121.69 15.45 0 6 -5 143.89 15.91 0 6 -4 2239.82 59.20 0 6 -3 254.05 19.61 0 6 -2 930.42 36.54 0 6 -1 478.23 25.90 0 6 0 144.16 13.83 0 6 1 1972.82 49.35 0 6 2 1456.62 40.79 0 6 3 916.82 32.65 0 6 3 824.88 31.77 0 6 4 147.77 13.23 0 6 4 170.76 14.15 0 6 5 1995.39 46.90 0 6 5 1856.73 46.62 0 6 6 338.92 19.47 0 6 6 315.15 19.10 0 6 7 716.28 28.91 0 6 7 726.55 29.88 0 6 8 62.39 9.11 0 6 8 61.51 9.25 0 6 9 375.74 21.65 0 6 9 430.32 24.47 0 6 10 629.79 28.44 0 6 10 654.49 31.17 0 6 11 157.48 14.66 0 6 11 182.60 17.39 0 6 12 1846.00 49.16 0 6 12 2132.89 59.48 0 6 13 314.32 24.00 0 7 -5 324.96 25.99 0 7 -4 258.40 22.80 0 7 -3 628.50 33.72 0 7 -2 1305.14 47.27 0 7 -1 649.91 32.84 0 7 0 1001.65 39.54 0 7 1 982.96 38.02 0 7 2 1228.60 42.18 0 7 3 557.64 27.70 0 7 4 223.44 17.53 0 7 4 248.32 19.80 0 7 5 1235.81 41.63 0 7 5 1185.03 41.39 0 7 6 13.37 6.15 0 7 6 9.94 5.87 0 7 7 1889.94 50.23 0 7 7 2062.08 55.41 0 7 8 234.68 18.50 0 7 8 237.40 18.96 0 7 9 576.61 28.72 0 7 9 633.22 32.01 0 7 10 467.87 26.13 0 7 10 507.14 29.60 0 7 11 53.51 9.62 0 7 11 60.82 11.42 0 7 12 146.34 17.44 0 8 -3 419.26 30.06 0 8 -2 93.01 14.29 0 8 -1 182.23 20.07 0 8 0 1746.19 56.84 0 8 1 102.35 14.01 0 8 2 646.77 33.81 0 8 3 54.85 10.82 0 8 4 937.08 39.36 0 8 5 189.81 17.53 0 8 6 421.34 26.13 0 8 6 439.29 27.98 0 8 7 1238.50 45.19 0 8 7 1139.52 44.77 0 8 8 47.87 11.01 0 8 8 43.29 9.57 0 8 9 782.65 34.50 0 8 9 952.39 42.87 0 8 10 151.19 15.96 0 8 10 166.32 18.82 0 9 2 667.30 37.46 0 9 3 38.39 9.90 0 9 4 497.84 31.77 0 9 5 89.59 14.43 0 9 6 521.24 31.73 1 -7 -2 93.24 12.77 1 -7 -1 1738.56 54.02 1 -7 0 782.37 36.54 1 -7 1 1053.59 43.29 1 -7 2 101.10 14.43 1 -7 3 72.84 13.04 1 -7 4 936.67 44.91 1 -7 5 36.45 10.36 1 -6 -5 189.72 11.61 1 -6 -4 391.60 18.18 1 -6 -3 119.10 10.87 1 -6 -2 472.45 22.85 1 -6 -1 1978.14 49.63 1 -6 0 229.13 19.70 1 -6 1 1164.40 44.35 1 -6 2 592.10 31.27 1 -6 3 885.84 38.90 1 -6 4 906.09 41.30 1 -6 5 154.57 18.45 1 -6 6 1368.69 54.67 1 -6 7 -0.28 6.11 1 -5 -7 571.61 14.71 1 -5 -6 2858.19 36.95 1 -5 -5 8.05 2.59 1 -5 -5 31.82 4.63 1 -5 -4 2568.94 41.26 1 -5 -3 257.52 14.06 1 -5 -2 357.66 17.62 1 -5 -1 4849.42 68.59 1 -5 0 1899.33 46.07 1 -5 1 1203.49 42.23 1 -5 2 82.46 11.47 1 -5 3 317.05 21.92 1 -5 4 396.00 25.07 1 -5 5 1187.07 44.72 1 -5 6 241.75 21.41 1 -5 7 75.62 13.18 1 -5 8 1596.85 58.18 1 -5 9 0.37 6.11 1 -4 -8 462.37 14.11 1 -4 -7 1401.35 22.34 1 -4 -7 1464.15 23.36 1 -4 -6 2305.36 25.11 1 -4 -6 2237.97 27.10 1 -4 -6 2201.11 29.88 1 -4 -5 721.28 15.91 1 -4 -5 719.70 17.25 1 -4 -4 659.49 17.21 1 -4 -3 2.45 1.90 1 -4 -2 759.76 21.97 1 -4 -1 193.79 12.03 1 -4 0 2883.40 50.00 1 -4 1 4502.54 68.54 1 -4 2 1029.03 35.98 1 -4 3 2185.76 51.52 1 -4 4 63.41 9.57 1 -4 5 1198.26 41.35 1 -4 6 185.42 17.39 1 -4 7 909.15 39.31 1 -4 8 394.98 27.47 1 -4 9 33.58 9.62 1 -4 10 713.69 38.94 1 -4 11 27.84 10.18 1 -3 -8 173.62 11.75 1 -3 -7 4856.35 47.08 1 -3 -6 45.05 3.84 1 -3 -6 53.84 4.35 1 -3 -5 5438.74 39.17 1 -3 -5 5513.07 34.36 1 -3 -3 456.77 12.21 1 -3 -2 4929.29 45.00 1 -3 -1 153.32 9.02 1 -3 0 1356.85 29.42 1 -3 1 327.36 16.37 1 -3 2 1082.63 32.47 1 -3 3 2479.58 48.98 1 -3 4 379.62 20.17 1 -3 5 2687.71 55.87 1 -3 6 236.53 18.04 1 -3 7 1847.66 51.89 1 -3 8 783.21 34.64 1 -3 9 124.55 15.12 1 -3 10 16.14 7.35 1 -3 11 26.32 8.56 1 -3 12 192.26 20.54 1 -2 -8 132.18 10.64 1 -2 -7 2529.77 40.15 1 -2 -6 292.95 12.30 1 -2 -4 30.06 4.16 1 -2 -4 22.52 3.79 1 -2 -4 27.61 2.22 1 -2 -4 20.72 1.90 1 -2 -3 252.34 11.89 1 -2 -3 230.79 5.46 1 -2 -3 252.20 10.82 1 -2 -2 3737.09 39.27 1 -2 -1 2852.64 39.87 1 -2 -1 2937.93 29.88 1 -2 0 5137.37 47.50 1 -2 0 5031.09 54.30 1 -2 1 31.91 4.53 1 -2 1 27.29 4.49 1 -2 3 387.12 17.07 1 -2 4 283.01 15.73 1 -2 5 1179.71 34.32 1 -2 6 626.56 26.32 1 -2 7 1937.16 48.10 1 -2 8 12.63 4.35 1 -2 9 2974.84 65.86 1 -2 10 1938.08 54.81 1 -2 11 372.92 25.58 1 -2 12 797.64 36.54 1 -2 12 832.60 39.73 1 -2 13 143.98 17.44 1 -2 13 120.53 15.73 1 -1 -7 4035.41 56.75 1 -1 -6 256.88 12.63 1 -1 -5 1549.02 26.59 1 -1 -5 1593.42 29.55 1 -1 -4 502.23 12.16 1 -1 -4 465.28 14.29 1 -1 -3 3618.88 35.98 1 -1 -3 4022.50 43.20 1 -1 -2 606.25 15.36 1 -1 -2 118.45 5.69 1 -1 -1 533.27 13.88 1 -1 -1 -0.32 0.69 1 -1 0 5786.41 48.01 1 -1 0 -0.14 0.37 1 -1 1 1637.92 24.05 1 -1 1 -0.05 0.56 1 -1 2 1721.68 26.27 1 -1 3 757.72 21.18 1 -1 3 719.84 18.69 1 -1 4 4528.07 56.24 1 -1 4 4671.03 49.35 1 -1 5 804.85 25.58 1 -1 6 427.86 19.98 1 -1 7 506.07 22.76 1 -1 8 1188.22 36.58 1 -1 9 1101.09 37.05 1 -1 10 9.57 5.18 1 -1 10 8.37 4.90 1 -1 11 1005.12 37.83 1 -1 11 1152.01 41.44 1 -1 12 640.57 31.87 1 -1 12 603.57 31.22 1 -1 13 466.58 28.26 1 -1 13 463.62 28.58 1 -1 14 513.66 30.90 1 -1 14 488.59 29.88 1 0 -14 277.18 22.29 1 0 -13 631.97 32.51 1 0 -12 754.95 32.47 1 0 -11 538.17 25.81 1 0 -10 527.86 23.73 1 0 -9 341.93 17.85 1 0 -8 1705.49 36.40 1 0 -7 42.92 5.69 1 0 -6 8556.63 82.93 1 0 -5 5676.33 51.52 1 0 -5 5947.59 60.36 1 0 -4 2903.10 31.82 1 0 -4 2950.65 37.46 1 0 -2 208.08 6.52 1 0 -1 -0.09 0.19 1 0 0 852.77 12.21 1 0 1 -0.19 0.37 1 0 1 0.09 0.37 1 0 2 740.19 12.67 1 0 2 781.13 15.82 1 0 3 4704.65 44.54 1 0 4 9296.55 70.44 1 0 5 2283.81 31.17 1 0 5 2066.06 36.35 1 0 6 3316.86 42.32 1 0 6 3368.47 49.40 1 0 7 2679.53 46.02 1 0 7 2657.70 47.50 1 0 8 92.73 9.39 1 0 8 84.87 9.30 1 0 9 643.67 25.85 1 0 9 634.74 25.72 1 0 10 474.99 23.22 1 0 10 487.16 24.05 1 0 11 409.96 22.99 1 0 11 436.84 23.96 1 0 12 33.53 7.91 1 0 12 54.71 9.53 1 0 13 639.00 31.54 1 0 13 605.14 29.69 1 0 14 219.46 20.07 1 0 14 195.55 19.43 1 1 -14 14.06 7.59 1 1 -13 377.03 24.51 1 1 -12 467.18 25.35 1 1 -11 643.25 29.09 1 1 -10 913.68 33.12 1 1 -9 505.84 22.48 1 1 -8 3299.38 53.00 1 1 -7 3.84 3.47 1 1 -6 878.99 24.05 1 1 -5 486.51 20.35 1 1 -4 2837.80 43.80 1 1 -3 -0.23 0.83 1 1 -2 -0.51 0.97 1 1 0 819.28 13.78 1 1 0 0.60 0.28 1 1 1 -0.09 0.28 1 1 1 933.43 10.87 1 1 2 -0.14 0.42 1 1 2 68.27 4.72 1 1 3 3263.62 31.27 1 1 3 3353.17 38.02 1 1 4 3370.37 34.04 1 1 4 3341.88 34.09 1 1 5 3861.88 43.43 1 1 5 3709.29 41.72 1 1 6 3167.84 43.24 1 1 6 3018.08 41.44 1 1 7 195.59 11.52 1 1 7 181.49 11.10 1 1 8 2967.16 47.82 1 1 8 2714.82 44.59 1 1 9 1272.12 33.35 1 1 9 1157.14 31.77 1 1 10 609.17 24.65 1 1 10 431.38 21.23 1 1 11 2893.16 56.70 1 1 11 2873.41 58.41 1 1 12 9.11 4.30 1 1 12 9.53 4.67 1 1 13 539.98 28.91 1 1 13 455.98 24.28 1 1 13 534.38 30.94 1 1 14 28.35 8.46 1 1 14 16.14 6.34 1 1 15 80.29 12.95 1 1 15 91.99 15.08 1 2 -14 230.88 20.77 1 2 -13 736.63 35.61 1 2 -12 85.29 12.26 1 2 -11 932.78 34.69 1 2 -10 479.99 24.14 1 2 -9 1490.10 40.65 1 2 -3 11.89 3.01 1 2 -1 2498.09 33.90 1 2 -1 2575.79 30.76 1 2 0 309.51 10.96 1 2 0 284.12 8.79 1 2 0 271.44 8.74 1 2 3 4317.54 39.27 1 2 3 4298.85 40.01 1 2 4 1678.06 19.06 1 2 4 1720.94 27.52 1 2 4 1701.37 27.98 1 2 5 1204.64 18.45 1 2 5 1172.17 25.30 1 2 5 1176.01 25.44 1 2 6 3920.38 36.58 1 2 6 3892.12 49.63 1 2 6 3843.75 49.40 1 2 7 474.85 14.85 1 2 7 422.92 17.34 1 2 7 433.28 18.32 1 2 8 1513.27 34.78 1 2 8 1519.01 36.58 1 2 9 54.85 6.01 1 2 9 62.21 7.77 1 2 9 48.70 7.22 1 2 10 1005.90 25.99 1 2 10 930.33 31.87 1 2 11 433.37 18.87 1 2 11 434.11 22.66 1 2 11 452.79 23.45 1 2 12 723.87 26.32 1 2 12 646.58 29.83 1 2 12 663.42 29.60 1 2 13 1185.12 35.29 1 2 13 1119.08 40.56 1 2 13 1176.94 42.60 1 2 14 56.89 10.64 1 2 14 66.37 11.52 1 2 15 311.41 24.56 1 3 -13 498.30 29.14 1 3 -12 67.80 11.33 1 3 -11 757.58 34.92 1 3 -10 140.42 13.64 1 3 -2 2954.44 41.72 1 3 -1 1989.93 36.26 1 3 -1 2159.90 33.16 1 3 0 7521.03 66.00 1 3 1 1816.95 29.92 1 3 1 1706.69 26.55 1 3 1 1781.25 27.57 1 3 2 440.81 13.04 1 3 2 485.72 14.38 1 3 3 2001.59 26.50 1 3 3 2031.56 30.53 1 3 4 228.20 10.18 1 3 4 231.11 9.20 1 3 4 225.10 10.82 1 3 5 4646.15 42.64 1 3 5 4719.64 53.33 1 3 5 4730.04 48.66 1 3 6 972.19 20.12 1 3 6 946.29 25.48 1 3 6 976.95 24.05 1 3 7 893.51 20.44 1 3 7 850.27 25.62 1 3 7 846.85 23.77 1 3 8 3580.53 43.52 1 3 8 3652.87 56.24 1 3 8 3684.37 53.14 1 3 9 153.60 9.76 1 3 9 160.54 12.63 1 3 9 154.71 11.52 1 3 10 2065.97 36.63 1 3 10 1969.03 45.93 1 3 10 2080.58 44.17 1 3 11 14.66 5.27 1 3 11 19.10 5.46 1 3 11 15.86 4.02 1 3 12 1396.21 33.30 1 3 12 1513.23 44.96 1 3 12 1481.31 41.35 1 3 13 384.43 24.14 1 3 13 365.24 21.65 1 3 14 113.22 14.29 1 3 15 359.60 25.85 1 4 -12 233.15 21.09 1 4 -3 5.00 3.24 1 4 -2 2372.51 42.83 1 4 -1 1.76 2.45 1 4 0 1417.63 30.39 1 4 1 4234.19 54.30 1 4 1 4182.16 50.41 1 4 1 4319.06 52.54 1 4 2 4109.32 50.78 1 4 2 4068.57 47.45 1 4 2 4054.28 49.90 1 4 3 670.49 18.96 1 4 3 679.84 20.40 1 4 4 219.92 10.82 1 4 4 229.63 12.16 1 4 5 4363.14 54.99 1 4 5 4287.29 48.19 1 4 6 68.08 7.59 1 4 6 59.57 5.87 1 4 7 4919.86 56.19 1 4 7 4740.03 53.84 1 4 7 4817.87 63.92 1 4 8 397.25 15.82 1 4 8 399.70 19.70 1 4 8 417.04 17.11 1 4 9 211.87 12.07 1 4 9 244.16 16.28 1 4 9 250.96 14.20 1 4 10 1494.45 32.61 1 4 10 1553.83 42.13 1 4 11 142.36 10.59 1 4 11 143.89 13.60 1 4 11 155.77 12.40 1 4 12 872.93 26.73 1 4 12 889.72 34.69 1 4 13 69.88 10.92 1 4 14 958.03 39.87 1 4 15 386.47 26.73 1 5 -4 603.38 27.20 1 5 -3 2075.91 47.36 1 5 -2 1521.60 38.90 1 5 -1 1089.39 31.77 1 5 0 3737.28 57.12 1 5 1 22.02 4.72 1 5 2 2346.57 42.50 1 5 2 2356.97 44.40 1 5 3 3003.09 47.18 1 5 3 2977.80 49.21 1 5 4 275.75 14.15 1 5 4 278.01 15.08 1 5 5 1941.74 37.23 1 5 5 1942.75 40.84 1 5 6 24.56 4.86 1 5 6 32.84 5.78 1 5 7 3930.83 54.16 1 5 7 4056.68 62.95 1 5 8 26.04 5.27 1 5 8 27.52 6.38 1 5 9 1021.35 28.49 1 5 9 750.09 29.60 1 5 10 932.13 28.49 1 5 10 939.16 33.86 1 5 11 270.20 15.77 1 5 11 246.01 15.36 1 5 11 237.91 18.32 1 5 12 821.18 34.41 1 5 13 47.04 9.07 1 5 14 349.28 25.07 1 6 -4 8.93 5.50 1 6 -3 206.18 17.16 1 6 -2 584.56 26.96 1 6 -1 956.74 33.58 1 6 0 1742.49 43.98 1 6 1 1384.14 38.16 1 6 2 2080.30 45.37 1 6 3 34.92 6.43 1 6 3 52.91 8.14 1 6 4 543.31 22.62 1 6 4 527.63 23.45 1 6 5 357.33 18.59 1 6 5 414.96 20.63 1 6 6 1393.30 35.38 1 6 6 1448.43 39.64 1 6 7 486.14 21.23 1 6 7 524.81 24.65 1 6 8 563.10 23.13 1 6 8 553.90 26.32 1 6 9 2991.49 52.40 1 6 9 2378.80 56.43 1 6 10 522.26 22.71 1 6 10 530.91 27.47 1 6 11 1402.96 37.51 1 6 11 1486.31 47.36 1 6 12 780.80 35.38 1 6 13 179.04 17.95 1 6 14 283.15 23.17 1 7 -4 510.19 29.79 1 7 -3 1816.91 53.97 1 7 -2 126.03 14.38 1 7 -1 53.28 9.34 1 7 0 1416.75 44.17 1 7 1 1671.36 46.53 1 7 2 246.75 17.71 1 7 3 85.10 10.59 1 7 4 3191.94 60.82 1 7 4 3307.65 65.81 1 7 5 438.92 22.11 1 7 5 473.65 24.70 1 7 6 1297.19 38.43 1 7 6 1369.43 43.01 1 7 7 489.19 23.77 1 7 7 492.11 25.58 1 7 8 64.43 10.64 1 7 8 35.29 6.57 1 7 9 214.56 15.73 1 7 9 195.41 17.34 1 7 10 43.15 7.72 1 7 10 33.21 8.56 1 7 11 176.35 17.76 1 7 12 33.90 8.83 1 7 13 1127.45 46.81 1 8 -3 773.63 38.67 1 8 -2 105.13 14.66 1 8 -1 1208.06 45.88 1 8 0 32.79 8.19 1 8 1 1101.41 41.63 1 8 2 82.70 12.16 1 8 3 487.94 26.87 1 8 4 929.87 35.89 1 8 5 28.54 8.46 1 8 5 20.72 6.85 1 8 6 1545.28 45.74 1 8 6 1490.15 48.98 1 8 7 14.38 6.71 1 8 7 19.15 6.52 1 8 8 667.07 30.02 1 8 8 740.29 35.80 1 8 9 550.71 27.57 1 8 9 534.93 30.29 1 8 10 976.35 42.64 1 8 11 417.55 28.95 1 9 -1 827.33 41.72 1 9 0 60.59 12.03 1 9 1 865.12 40.75 1 9 2 12.12 7.82 1 9 3 427.22 28.07 1 9 4 73.54 12.35 1 9 5 385.54 26.04 1 9 6 474.90 28.17 1 9 6 518.98 33.02 1 9 7 94.07 13.09 1 9 7 73.63 12.49 1 9 8 795.32 35.71 1 9 8 789.59 39.64 2 -7 2 -4.90 6.57 2 -7 3 616.94 35.20 2 -6 -2 1307.83 34.92 2 -6 -1 701.71 27.94 2 -6 0 964.42 35.29 2 -6 1 522.22 27.89 2 -6 2 244.16 20.12 2 -6 3 909.98 40.01 2 -6 4 8.05 7.03 2 -6 5 700.46 38.06 2 -6 6 11.70 7.17 2 -5 -4 393.41 12.67 2 -5 -3 461.67 16.42 2 -5 -2 3808.55 53.28 2 -5 -1 836.90 27.33 2 -5 0 212.20 15.22 2 -5 1 443.08 23.17 2 -5 2 989.67 36.77 2 -5 3 814.15 34.83 2 -5 4 783.67 35.98 2 -5 5 1191.32 45.56 2 -5 6 26.22 8.83 2 -5 7 997.81 44.72 2 -5 8 104.20 15.96 2 -4 -6 34.13 2.87 2 -4 -5 888.20 17.16 2 -4 -4 64.75 3.65 2 -4 -3 940.60 19.33 2 -4 -2 3051.15 40.93 2 -4 -1 1688.05 34.18 2 -4 0 1788.93 38.39 2 -4 1 244.94 15.73 2 -4 2 771.78 29.60 2 -4 3 142.22 13.37 2 -4 4 2994.31 64.06 2 -4 5 490.76 27.24 2 -4 6 109.52 14.11 2 -4 7 1651.79 53.97 2 -4 8 12.53 6.52 2 -4 9 519.49 32.56 2 -4 10 262.52 24.19 2 -3 -8 3760.40 27.52 2 -3 -8 3888.28 27.89 2 -3 -3 1859.97 18.64 2 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11 825.06 33.12 2 0 11 909.79 35.61 2 0 12 642.65 30.85 2 0 12 646.58 31.36 2 0 13 218.07 19.10 2 0 13 264.65 20.58 2 0 14 7.68 5.74 2 0 14 0.28 5.27 2 1 -14 569.81 32.93 2 1 -13 769.29 35.47 2 1 -12 934.77 36.72 2 1 -11 1191.18 38.43 2 1 -10 30.48 6.75 2 1 -9 1282.53 35.66 2 1 -8 17.21 4.49 2 1 -7 36.26 5.83 2 1 -6 1252.37 27.47 2 1 -5 5725.31 61.42 2 1 -4 1135.13 20.72 2 1 -4 1143.22 25.30 2 1 -3 77.98 4.67 2 1 -3 66.32 5.55 2 1 1 50.60 3.15 2 1 1 51.25 2.45 2 1 1 61.05 4.95 2 1 2 2919.84 20.95 2 1 2 2899.03 25.58 2 1 2 2938.76 38.85 2 1 3 7283.08 66.14 2 1 4 1149.05 21.88 2 1 4 1177.54 15.82 2 1 4 1195.53 29.14 2 1 5 3729.51 43.85 2 1 5 3711.19 32.01 2 1 6 993.97 24.98 2 1 6 945.96 23.77 2 1 7 1064.36 28.07 2 1 7 1051.32 27.52 2 1 7 1112.93 22.20 2 1 8 1417.72 34.64 2 1 8 1326.60 33.44 2 1 8 1344.92 26.78 2 1 9 258.45 15.91 2 1 9 278.89 16.14 2 1 10 1493.43 38.85 2 1 10 1409.99 36.03 2 1 11 8.23 4.44 2 1 11 -0.79 3.84 2 1 12 693.20 30.71 2 1 12 688.62 34.92 2 1 13 74.05 12.03 2 1 13 62.67 12.07 2 1 14 375.18 25.99 2 1 14 325.56 26.27 2 2 -14 611.66 33.44 2 2 -13 142.54 15.91 2 2 -12 910.53 37.69 2 2 -11 574.99 28.63 2 2 -10 153.92 13.74 2 2 -9 2406.51 49.86 2 2 -8 62.53 8.33 2 2 -7 1521.46 34.27 2 2 -3 111.65 9.02 2 2 -2 0.46 0.97 2 2 1 3403.76 36.58 2 2 1 3425.41 25.81 2 2 2 2742.61 26.41 2 2 2 2704.69 35.06 2 2 3 4047.43 38.16 2 2 3 3911.22 37.00 2 2 3 3947.99 46.71 2 2 4 418.98 14.43 2 2 4 384.53 13.04 2 2 4 406.54 16.23 2 2 5 9903.26 84.41 2 2 6 252.11 12.40 2 2 6 277.46 7.68 2 2 6 239.44 14.29 2 2 7 400.07 16.70 2 2 7 363.44 10.59 2 2 7 363.85 18.82 2 2 8 488.04 20.03 2 2 8 464.40 13.88 2 2 8 457.42 21.88 2 2 9 984.77 22.52 2 2 9 1034.12 34.50 2 2 10 578.73 24.61 2 2 10 562.50 26.78 2 2 11 22.80 6.01 2 2 11 40.61 8.42 2 2 12 1723.39 46.67 2 2 12 1640.60 50.23 2 2 13 55.64 10.82 2 2 13 64.47 10.36 2 2 14 981.62 40.05 2 2 14 930.47 42.09 2 2 15 23.26 8.23 2 2 15 3.05 5.78 2 3 -13 9.02 6.38 2 3 -12 658.61 31.45 2 3 -11 47.92 9.34 2 3 -10 1736.89 49.21 2 3 -9 330.78 19.29 2 3 -1 265.39 13.41 2 3 0 1656.09 31.17 2 3 1 52.31 4.44 2 3 1 51.66 4.12 2 3 2 1542.59 23.73 2 3 2 1552.72 19.47 2 3 3 372.18 12.44 2 3 3 366.63 8.19 2 3 3 367.18 14.20 2 3 4 3521.15 42.09 2 3 4 3498.44 46.39 2 3 5 6143.28 60.08 2 3 5 6388.91 66.60 2 3 6 1939.15 20.40 2 3 6 1895.63 35.94 2 3 6 1967.22 39.45 2 3 7 5221.73 37.56 2 3 7 5279.64 63.50 2 3 7 5359.10 67.57 2 3 8 0.37 2.73 2 3 8 -2.41 2.96 2 3 8 2.36 1.34 2 3 9 2555.44 32.33 2 3 9 2624.21 50.78 2 3 9 2598.63 52.26 2 3 10 347.94 13.00 2 3 10 350.26 19.61 2 3 10 376.48 20.77 2 3 11 124.09 8.70 2 3 11 140.51 13.32 2 3 11 130.61 13.04 2 3 12 1095.49 38.43 2 3 12 977.92 35.89 2 3 13 22.94 7.26 2 3 13 25.53 7.17 2 3 14 768.13 35.24 2 3 14 719.75 34.50 2 3 15 47.55 11.19 2 3 15 64.94 12.07 2 4 -12 1077.31 43.01 2 4 -11 10.73 6.38 2 4 0 5587.76 55.04 2 4 1 1328.45 27.24 2 4 1 1330.21 24.93 2 4 2 4127.63 46.16 2 4 2 3946.93 40.79 2 4 3 252.25 11.89 2 4 3 264.51 9.90 2 4 4 1371.79 28.54 2 4 4 1391.22 21.46 2 4 5 585.39 20.30 2 4 5 560.83 13.64 2 4 5 592.65 19.98 2 4 6 16.19 3.79 2 4 6 20.58 2.87 2 4 6 16.37 4.02 2 4 7 607.08 14.89 2 4 7 647.42 23.59 2 4 7 640.20 23.50 2 4 8 1078.84 20.86 2 4 8 1104.51 31.36 2 4 9 1242.75 23.50 2 4 9 1204.92 35.29 2 4 10 202.58 9.90 2 4 10 178.06 14.62 2 4 10 190.74 14.52 2 4 11 2516.68 36.95 2 4 11 2536.20 55.41 2 4 11 2603.12 54.07 2 4 12 786.40 32.33 2 4 12 767.57 30.76 2 4 13 593.26 29.65 2 4 13 586.97 28.35 2 4 14 373.06 24.70 2 4 14 368.48 23.63 2 4 15 50.41 10.78 2 5 -1 3420.83 52.17 2 5 0 638.44 21.69 2 5 1 678.73 21.51 2 5 2 5600.99 63.87 2 5 2 5439.99 58.41 2 5 3 2593.27 43.24 2 5 3 2611.82 38.43 2 5 4 1591.94 29.14 2 5 4 1568.08 34.32 2 5 5 389.52 14.11 2 5 5 387.35 17.62 2 5 6 3830.66 44.12 2 5 6 3829.59 57.26 2 5 7 1727.50 37.88 2 5 7 1628.39 28.58 2 5 7 1707.34 39.96 2 5 8 880.93 28.26 2 5 8 871.59 21.37 2 5 8 841.85 29.42 2 5 9 71.09 8.74 2 5 9 63.83 6.15 2 5 9 61.47 8.56 2 5 10 51.80 5.83 2 5 10 56.01 8.93 2 5 10 51.06 7.96 2 5 11 1058.07 37.00 2 5 11 1046.84 33.58 2 5 12 3.19 3.47 2 5 12 1.94 4.67 2 5 13 1075.09 41.02 2 5 13 1129.39 38.16 2 5 14 101.70 13.88 2 6 -2 167.24 13.92 2 6 -1 1254.78 35.89 2 6 0 14.48 4.67 2 6 1 631.64 23.91 2 6 2 20.54 5.41 2 6 2 18.45 4.35 2 6 3 2128.91 40.84 2 6 3 2184.60 44.96 2 6 4 422.22 17.62 2 6 4 384.62 19.38 2 6 5 1759.23 35.66 2 6 5 1822.97 41.95 2 6 6 4560.68 55.78 2 6 6 4557.58 68.08 2 6 7 1061.64 27.61 2 6 7 980.88 32.79 2 6 8 4214.03 52.59 2 6 8 4340.98 71.73 2 6 9 301.32 14.34 2 6 9 317.83 20.12 2 6 10 48.89 6.24 2 6 10 48.66 8.51 2 6 11 458.76 26.04 2 6 12 72.71 12.21 2 6 13 961.36 39.45 2 6 14 6.29 5.92 2 7 -2 1002.80 37.00 2 7 -1 856.98 33.12 2 7 0 232.36 16.74 2 7 1 5642.48 79.64 2 7 2 250.59 16.42 2 7 3 460.24 21.83 2 7 3 462.00 24.33 2 7 4 448.58 20.86 2 7 4 402.01 21.88 2 7 5 18.78 5.74 2 7 5 15.54 4.95 2 7 6 50.18 7.12 2 7 6 59.20 8.74 2 7 7 721.18 24.93 2 7 7 722.71 30.48 2 7 8 556.30 22.11 2 7 8 578.73 28.12 2 7 9 22.99 7.35 2 7 9 8.74 4.21 2 7 10 1823.80 52.82 2 7 11 195.32 18.04 2 7 12 515.74 30.11 2 7 13 750.37 37.14 2 8 -2 523.05 29.32 2 8 -1 6.61 5.18 2 8 0 347.20 22.34 2 8 1 1702.85 48.19 2 8 2 688.99 30.25 2 8 3 1250.89 39.64 2 8 4 68.73 9.90 2 8 4 66.14 10.87 2 8 5 1115.19 35.94 2 8 5 1103.68 40.70 2 8 6 626.56 26.92 2 8 6 537.43 28.54 2 8 7 1094.15 35.06 2 8 7 1061.40 40.79 2 8 8 884.59 31.22 2 8 8 895.73 37.19 2 8 9 35.94 8.65 2 8 10 420.23 27.52 2 8 11 71.32 12.49 2 8 12 220.43 21.37 2 9 -1 3.65 5.32 2 9 0 127.28 15.96 2 9 1 4.63 4.90 2 9 2 1071.26 41.49 2 9 3 312.56 22.11 2 9 4 319.64 22.29 2 9 5 910.81 36.63 2 9 6 65.40 10.31 2 9 6 64.94 13.09 2 9 7 867.24 34.64 2 9 7 906.74 40.93 2 9 8 405.66 28.12 2 9 9 388.60 28.40 3 -6 2 428.93 25.90 3 -6 3 36.03 8.79 3 -6 4 123.54 16.42 3 -5 -1 545.99 20.81 3 -5 0 349.38 18.73 3 -5 1 1628.39 43.29 3 -5 2 989.11 36.08 3 -5 3 3.24 4.12 3 -5 4 1425.86 48.33 3 -5 5 212.89 19.84 3 -5 6 518.42 32.38 3 -4 -2 22.85 3.28 3 -4 -1 3251.92 45.70 3 -4 0 322.41 16.28 3 -4 1 871.50 28.91 3 -4 2 933.71 32.19 3 -4 3 593.39 27.24 3 -4 4 1301.26 42.60 3 -4 5 4.95 5.27 3 -4 6 936.25 39.59 3 -4 7 29.88 9.34 3 -4 8 872.56 41.07 3 -3 -2 12.49 2.04 3 -3 -1 6450.80 53.74 3 -3 0 50.32 5.87 3 -3 1 694.36 23.40 3 -3 2 47.31 7.26 3 -3 3 469.95 22.29 3 -3 4 352.06 20.44 3 -3 5 1792.44 48.70 3 -3 6 359.92 23.22 3 -3 7 44.31 9.99 3 -3 8 1437.00 48.61 3 -3 9 43.34 8.83 3 -3 10 328.84 25.35 3 -2 -4 1612.16 15.17 3 -2 0 852.44 19.56 3 -2 1 3454.69 44.45 3 -2 2 476.15 18.55 3 -2 3 4912.18 64.89 3 -2 4 1124.54 33.49 3 -2 5 990.36 33.02 3 -2 6 1909.50 48.01 3 -2 7 135.88 13.60 3 -2 8 65.54 10.31 3 -2 9 52.77 10.08 3 -2 10 373.06 25.21 3 -2 11 60.82 11.19 3 -1 -8 307.80 13.46 3 -1 -7 3179.17 36.40 3 -1 -6 361.59 9.67 3 -1 -4 1538.25 27.70 3 -1 -3 397.15 13.04 3 -1 -3 379.30 8.93 3 -1 -1 160.21 7.86 3 -1 0 3861.55 38.80 3 -1 1 562.87 14.85 3 -1 1 561.48 16.37 3 -1 2 687.01 19.70 3 -1 3 1121.34 27.75 3 -1 4 340.87 16.56 3 -1 5 2330.89 46.25 3 -1 6 178.94 13.55 3 -1 7 1485.94 40.56 3 -1 8 1076.02 36.12 3 -1 9 888.52 34.23 3 -1 10 967.28 36.91 3 -1 11 4.90 4.86 3 -1 11 2.31 5.92 3 -1 12 675.54 35.29 3 -1 12 763.78 36.68 3 0 -7 2567.69 42.18 3 0 -6 271.35 12.40 3 0 -5 3797.68 39.96 3 0 -5 3792.45 45.09 3 0 -4 17.11 2.82 3 0 -4 13.04 2.27 3 0 -3 317.42 10.04 3 0 -1 9.02 2.27 3 0 -1 13.00 3.47 3 0 -1 9.30 1.57 3 0 0 3329.11 42.13 3 0 0 3195.17 26.92 3 0 0 3246.14 42.09 3 0 1 2368.77 34.83 3 0 1 2212.26 38.80 3 0 2 2533.24 35.61 3 0 3 11.10 2.91 3 0 4 1804.56 31.96 3 0 4 1699.01 32.33 3 0 5 2399.02 38.34 3 0 5 2516.45 44.40 3 0 6 289.90 15.82 3 0 7 2017.96 44.03 3 0 8 179.17 13.83 3 0 9 296.97 19.24 3 0 9 277.87 18.41 3 0 10 584.88 27.80 3 0 10 518.70 25.95 3 0 11 639.60 30.66 3 0 11 531.19 26.04 3 0 12 734.41 34.69 3 0 12 682.75 31.31 3 0 13 4.53 5.55 3 1 -12 733.26 32.93 3 1 -11 110.08 12.72 3 1 -10 431.47 22.57 3 1 -9 314.32 17.81 3 1 -8 2329.27 44.45 3 1 -7 2692.11 43.52 3 1 -6 40.61 5.18 3 1 -5 4463.64 54.11 3 1 -5 4675.15 46.16 3 1 -4 1068.43 24.00 3 1 -4 1089.02 19.70 3 1 -3 4830.22 47.22 3 1 -1 2582.82 30.76 3 1 0 4593.93 46.39 3 1 1 521.57 13.78 3 1 1 479.80 16.70 3 1 2 4541.71 37.74 3 1 2 4439.22 54.90 3 1 3 1474.47 21.37 3 1 3 1400.19 32.88 3 1 4 3395.95 33.02 3 1 4 3295.49 38.85 3 1 4 3289.85 53.79 3 1 5 1783.84 31.27 3 1 5 1901.36 26.50 3 1 5 1862.97 43.11 3 1 6 707.40 22.11 3 1 6 766.33 18.22 3 1 6 728.91 28.58 3 1 7 3610.46 53.05 3 1 7 3550.38 41.90 3 1 8 0.42 2.50 3 1 8 -0.88 2.54 3 1 9 725.44 27.47 3 1 9 753.14 33.49 3 1 10 13.27 6.98 3 1 10 10.13 4.67 3 1 11 180.89 15.12 3 1 11 225.80 20.40 3 1 12 190.32 16.37 3 1 12 223.30 21.37 3 1 13 409.59 26.41 3 1 13 394.52 29.14 3 1 14 649.77 34.50 3 1 14 530.68 35.29 3 2 -13 147.35 16.56 3 2 -12 1000.58 38.30 3 2 -11 85.15 11.24 3 2 -10 1106.13 36.40 3 2 -9 16.23 5.13 3 2 -8 1467.48 36.91 3 2 -7 432.12 17.90 3 2 -6 2540.77 40.93 3 2 -5 4357.64 52.77 3 2 -4 12.77 2.73 3 2 -3 3443.54 47.22 3 2 -2 2383.99 37.23 3 2 0 1486.08 26.69 3 2 1 607.22 9.48 3 2 1 590.39 17.71 3 2 2 4619.41 53.84 3 2 3 16.84 3.70 3 2 3 11.19 2.50 3 2 3 9.57 2.08 3 2 4 489.01 14.48 3 2 4 458.90 19.15 3 2 5 50.78 5.23 3 2 5 52.26 7.22 3 2 6 2330.61 20.91 3 2 6 2259.20 37.14 3 2 6 2300.64 48.10 3 2 7 672.16 22.02 3 2 7 730.94 14.06 3 2 7 739.82 29.09 3 2 8 873.03 26.78 3 2 8 869.09 17.21 3 2 8 881.72 32.93 3 2 9 3166.36 54.11 3 2 9 3101.19 64.33 3 2 10 3.79 4.67 3 2 10 10.04 4.02 3 2 11 1273.09 38.90 3 2 11 1232.44 44.17 3 2 12 83.11 11.84 3 2 12 70.58 12.12 3 2 13 302.20 21.32 3 2 13 306.22 24.65 3 2 14 280.14 21.83 3 2 14 281.20 24.70 3 3 -13 771.69 36.63 3 3 -12 342.62 23.77 3 3 -11 447.29 25.21 3 3 -10 1528.67 43.01 3 3 -9 24.47 6.11 3 3 -8 1923.84 44.31 3 3 2 5823.04 60.59 3 3 3 493.68 13.83 3 3 3 491.00 18.64 3 3 4 9263.89 68.54 3 3 5 9.11 3.98 3 3 5 5.32 2.27 3 3 6 1038.56 26.22 3 3 6 1020.19 31.13 3 3 7 46.62 6.15 3 3 7 53.42 7.54 3 3 8 1660.49 37.46 3 3 8 1685.37 43.85 3 3 9 471.94 21.04 3 3 9 416.86 22.57 3 3 10 143.70 12.53 3 3 10 140.00 13.88 3 3 11 1844.98 46.34 3 3 11 1663.40 47.82 3 3 12 4.90 4.16 3 3 12 3.98 3.79 3 3 13 791.62 34.55 3 3 13 740.01 34.92 3 3 14 138.84 15.49 3 3 14 105.27 14.62 3 4 -12 21.88 7.82 3 4 -11 694.91 32.38 3 4 -10 308.68 20.91 3 4 1 104.11 7.12 3 4 2 16.05 2.96 3 4 3 3119.00 47.92 3 4 3 3094.58 38.99 3 4 4 483.60 19.66 3 4 4 443.96 15.63 3 4 5 974.18 24.84 3 4 5 996.98 29.00 3 4 6 3934.26 53.84 3 4 6 3849.34 59.57 3 4 7 59.71 7.12 3 4 7 70.90 9.02 3 4 8 3232.78 53.97 3 4 8 3395.72 60.45 3 4 9 276.99 16.79 3 4 9 291.01 18.41 3 4 10 478.69 22.99 3 4 10 463.38 24.28 3 4 11 252.85 17.81 3 4 11 254.29 18.82 3 4 12 468.75 24.88 3 4 12 435.17 25.16 3 4 13 476.61 26.50 3 4 13 486.42 27.89 3 4 14 293.92 21.97 3 4 14 271.12 21.65 3 5 -11 718.59 34.32 3 5 1 2098.76 38.80 3 5 2 190.55 11.29 3 5 3 1478.68 30.80 3 5 3 1521.46 25.72 3 5 4 874.51 24.61 3 5 4 880.29 18.04 3 5 5 1738.93 36.12 3 5 5 1666.92 22.99 3 5 6 344.84 18.27 3 5 6 338.51 16.74 3 5 6 365.29 9.94 3 5 7 311.68 17.16 3 5 7 315.52 8.56 3 5 7 321.44 18.36 3 5 8 1052.76 32.51 3 5 8 983.52 13.88 3 5 8 1022.69 32.70 3 5 9 4.58 3.52 3 5 9 5.69 4.53 3 5 10 2094.41 50.27 3 5 10 2176.32 51.43 3 5 11 494.83 25.35 3 5 11 545.20 26.41 3 5 12 513.84 26.78 3 5 12 520.46 26.46 3 5 13 157.99 16.05 3 5 13 158.82 15.59 3 5 14 55.27 10.45 3 5 14 42.46 9.16 3 6 1 2474.73 43.71 3 6 2 2323.81 45.42 3 6 2 2207.22 39.04 3 6 3 3637.05 55.87 3 6 3 3463.01 47.08 3 6 4 500.75 20.58 3 6 4 513.61 17.11 3 6 5 1958.20 42.37 3 6 5 2024.94 32.70 3 6 6 1108.02 32.93 3 6 6 1109.00 23.31 3 6 7 1640.09 41.72 3 6 7 1676.03 27.52 3 6 8 65.17 9.07 3 6 8 60.45 5.09 3 6 9 143.70 13.46 3 6 9 175.20 15.31 3 6 10 2311.14 53.56 3 6 10 2277.70 54.58 3 6 11 5.32 4.72 3 6 11 1.94 4.30 3 6 12 1117.60 39.31 3 6 12 1092.85 40.38 3 6 13 261.22 20.67 3 6 13 289.71 21.09 3 6 14 43.20 10.08 3 7 1 8.65 4.02 3 7 2 113.96 10.45 3 7 3 7.49 3.19 3 7 3 13.18 5.04 3 7 4 1256.95 37.00 3 7 4 1277.35 31.87 3 7 5 1744.11 44.22 3 7 5 1832.26 36.82 3 7 6 7.86 4.63 3 7 6 5.18 3.19 3 7 7 2042.05 49.86 3 7 7 2041.18 37.05 3 7 8 200.08 16.47 3 7 8 216.92 11.70 3 7 9 301.88 20.72 3 7 10 373.47 23.68 3 7 11 438.32 26.46 3 7 12 756.98 35.52 3 7 13 124.09 15.49 3 8 1 42.92 7.63 3 8 2 703.52 28.44 3 8 3 88.80 10.31 3 8 4 807.53 33.67 3 8 4 771.74 28.12 3 8 5 1104.46 38.85 3 8 5 1086.19 32.75 3 8 6 663.65 30.57 3 8 6 666.42 25.21 3 8 7 786.68 33.67 3 8 7 810.54 26.83 3 8 8 27.29 6.80 3 8 9 399.56 25.58 3 8 10 277.27 21.69 3 8 11 409.59 27.20 3 8 12 509.13 30.80 3 9 1 1035.18 39.41 3 9 2 602.92 29.23 3 9 3 165.81 15.08 3 9 4 567.63 27.20 3 9 5 215.11 19.89 3 9 5 233.52 17.34 3 9 6 733.35 35.38 3 9 6 756.24 29.92 3 9 7 321.58 24.19 3 9 8 144.90 16.88 3 9 9 509.26 31.22 3 9 10 77.93 13.41 3 10 2 150.08 16.42 3 10 3 152.72 16.79 3 10 4 224.41 19.52 3 10 5 1.16 5.18 4 -5 3 175.43 15.91 4 -5 4 31.03 8.65 4 -4 0 938.70 26.18 4 -4 1 1263.57 32.98 4 -4 2 30.34 6.24 4 -4 3 1253.48 38.71 4 -4 4 38.25 8.28 4 -4 5 1073.48 40.24 4 -4 6 74.69 11.89 4 -4 7 132.97 16.10 4 -3 -4 1319.16 24.37 4 -3 1 10.64 3.56 4 -3 2 1733.38 39.08 4 -3 3 1498.43 38.80 4 -3 4 461.53 23.31 4 -3 5 763.92 31.73 4 -3 6 141.57 14.48 4 -3 7 918.67 37.83 4 -3 8 149.44 16.33 4 -3 9 232.36 20.95 4 -2 -4 122.75 5.78 4 -2 -3 1783.10 29.55 4 -2 -2 4431.77 55.27 4 -2 2 412.09 16.74 4 -2 3 1175.83 32.38 4 -2 4 530.17 22.99 4 -2 5 53.97 8.14 4 -2 6 271.91 18.69 4 -2 7 824.69 33.72 4 -2 8 -3.42 4.53 4 -2 9 313.58 22.85 4 -2 10 596.86 32.19 4 -1 -4 19.89 3.75 4 -1 -3 3926.63 43.71 4 -1 -3 3886.34 37.14 4 -1 -2 240.97 10.73 4 -1 -2 239.25 11.15 4 -1 -1 2509.19 34.32 4 -1 -1 2431.53 40.52 4 -1 0 322.88 12.30 4 -1 0 370.70 17.81 4 -1 4 1618.49 35.61 4 -1 5 1357.36 34.55 4 -1 6 738.81 27.52 4 -1 7 802.35 30.85 4 -1 8 223.34 16.93 4 -1 9 453.67 24.79 4 -1 10 162.89 15.73 4 -1 11 675.63 34.09 4 0 -7 422.78 15.73 4 0 -6 966.41 21.60 4 0 -5 917.80 22.29 4 0 -4 740.15 16.65 4 0 -3 3760.91 35.98 4 0 -3 3960.30 35.89 4 0 -2 17.48 2.36 4 0 -2 19.47 3.33 4 0 -1 737.74 14.34 4 0 -1 700.88 19.98 4 0 0 79.64 4.95 4 0 0 82.88 7.54 4 0 1 5478.47 46.44 4 0 1 5652.47 68.40 4 0 2 59.39 7.82 4 0 3 195.27 14.89 4 0 9 1553.14 43.98 4 0 10 54.30 9.53 4 0 11 800.50 35.52 4 0 12 0.09 6.11 4 0 12 1.11 5.92 4 1 -5 71.73 6.94 4 1 -4 3460.10 43.57 4 1 -2 653.10 17.34 4 1 -1 4609.19 49.03 4 1 0 2738.59 18.41 4 1 0 2699.78 41.35 4 1 1 2676.01 38.90 4 1 1 2510.34 43.43 4 1 2 277.04 12.12 4 1 2 253.04 14.71 4 1 3 595.94 17.02 4 1 3 630.40 25.07 4 1 4 1436.96 26.22 4 1 4 1433.30 38.94 4 1 5 9.16 3.84 4 1 5 6.29 2.41 4 1 5 4.12 1.99 4 1 6 3800.82 44.26 4 1 6 3748.89 69.14 4 1 7 978.43 28.77 4 1 7 1013.72 37.93 4 1 8 24.37 7.08 4 1 8 38.85 6.85 4 1 9 740.70 28.49 4 1 9 685.90 33.95 4 1 10 1013.21 34.97 4 1 10 1041.66 43.38 4 1 11 1538.52 44.72 4 1 11 1525.11 54.44 4 1 12 90.00 11.98 4 1 12 81.35 13.88 4 1 13 402.10 26.09 4 1 13 380.18 30.02 4 2 -12 215.25 18.78 4 2 -11 824.46 33.72 4 2 -10 225.98 16.84 4 2 -9 820.90 28.86 4 2 -8 2376.72 44.31 4 2 -7 39.78 5.64 4 2 -6 1402.46 28.03 4 2 -5 254.10 10.68 4 2 -4 1860.47 24.98 4 2 -3 210.44 6.85 4 2 -1 3851.98 46.67 4 2 0 884.77 23.45 4 2 1 2048.71 15.73 4 2 1 1963.71 37.28 4 2 2 53.56 3.65 4 2 2 50.97 6.61 4 2 3 1147.25 20.03 4 2 3 1098.96 30.99 4 2 4 1480.30 25.39 4 2 4 1489.31 37.65 4 2 5 1360.23 26.27 4 2 5 1409.99 38.67 4 2 6 2843.85 27.06 4 2 6 2974.65 42.04 4 2 7 115.21 5.87 4 2 7 107.44 9.02 4 2 7 107.44 12.16 4 2 8 756.84 24.84 4 2 8 845.55 34.83 4 2 9 3.79 4.58 4 2 9 0.69 3.42 4 2 10 677.20 27.43 4 2 10 642.19 33.12 4 2 11 277.13 18.82 4 2 11 297.07 23.73 4 2 12 621.38 29.60 4 2 12 658.93 36.17 4 2 13 279.26 21.28 4 2 13 284.72 24.79 4 3 -13 589.51 32.19 4 3 -12 131.21 15.31 4 3 -11 463.75 25.81 4 3 -10 36.17 8.33 4 3 -9 1730.79 44.63 4 3 -8 14.99 5.13 4 3 -7 366.44 17.85 4 3 -6 3546.54 54.81 4 3 -5 2119.25 34.64 4 3 1 764.06 23.45 4 3 1 776.59 12.86 4 3 2 14.75 4.16 4 3 2 16.51 2.50 4 3 2 15.77 2.27 4 3 3 1704.70 25.44 4 3 3 1683.98 24.70 4 3 3 1643.65 37.65 4 3 4 8.09 3.42 4 3 4 11.15 2.87 4 3 4 11.56 2.82 4 3 5 5967.62 57.81 4 3 5 5662.36 76.31 4 3 6 958.27 25.11 4 3 6 982.59 33.21 4 3 7 436.51 18.13 4 3 7 420.00 22.62 4 3 8 2265.72 43.43 4 3 8 2365.44 55.41 4 3 9 234.26 15.03 4 3 9 260.39 19.15 4 3 10 506.63 23.22 4 3 10 466.95 26.09 4 3 11 71.04 9.62 4 3 11 51.80 9.76 4 3 12 342.21 21.83 4 3 12 324.63 23.73 4 3 13 50.92 11.15 4 3 13 36.91 8.88 4 3 14 382.45 25.76 4 3 14 370.05 27.98 4 4 -12 330.97 23.96 4 4 -11 193.88 17.48 4 4 -10 28.12 7.45 4 4 -9 746.99 31.31 4 4 -8 13.55 4.76 4 4 1 18.73 3.05 4 4 2 424.53 18.73 4 4 2 479.85 13.92 4 4 3 1614.28 37.83 4 4 3 1566.92 26.32 4 4 4 37.79 4.63 4 4 4 50.46 7.22 4 4 5 4006.08 49.26 4 4 5 3867.06 62.16 4 4 6 533.55 19.43 4 4 6 504.41 23.96 4 4 7 1491.95 34.50 4 4 7 1477.84 41.72 4 4 8 256.41 15.36 4 4 8 302.06 19.84 4 4 9 2016.06 44.35 4 4 9 1962.83 51.62 4 4 10 797.54 29.60 4 4 10 788.43 33.39 4 4 11 4.39 5.04 4 4 11 5.00 4.26 4 4 12 2874.33 62.21 4 4 12 2827.76 67.34 4 4 13 490.67 27.24 4 4 13 495.44 29.83 4 4 14 360.48 24.79 4 4 14 295.40 23.87 4 5 -11 77.24 12.30 4 5 -10 1060.99 40.01 4 5 2 2621.20 39.27 4 5 3 815.07 21.92 4 5 4 38.20 6.48 4 5 4 37.65 5.13 4 5 5 1256.07 36.45 4 5 5 1142.94 28.31 4 5 6 25.21 6.38 4 5 6 30.80 5.18 4 5 7 2018.51 42.13 4 5 7 2052.41 48.93 4 5 8 103.74 10.27 4 5 8 92.55 11.38 4 5 9 913.82 31.08 4 5 9 882.65 33.81 4 5 10 125.76 12.49 4 5 10 108.78 12.86 4 5 11 153.97 14.06 4 5 11 179.41 16.70 4 5 12 344.94 22.11 4 5 12 318.85 22.71 4 5 13 248.87 19.66 4 5 13 232.92 20.30 4 5 14 839.77 37.09 4 5 14 778.86 37.65 4 6 2 2387.27 44.22 4 6 3 17.11 4.39 4 6 4 1593.19 35.29 4 6 5 510.14 20.86 4 6 6 797.45 27.24 4 6 7 2426.91 54.67 4 6 7 2353.64 48.24 4 6 8 26.55 7.17 4 6 8 21.09 5.83 4 6 9 681.69 30.53 4 6 9 683.44 28.35 4 6 10 540.99 26.04 4 6 10 605.84 29.05 4 6 11 182.87 15.63 4 6 11 174.92 16.05 4 6 12 168.12 16.05 4 6 12 163.03 16.00 4 6 13 507.18 28.21 4 6 13 516.76 28.95 4 7 3 588.03 24.74 4 7 4 458.30 21.74 4 7 5 314.78 17.90 4 7 6 972.93 32.65 4 7 7 372.87 20.86 4 7 8 2752.19 58.04 4 7 9 463.20 24.84 4 7 10 2.68 4.58 4 7 11 1356.53 45.79 4 7 11 1353.29 45.14 4 7 12 330.88 23.45 4 7 12 331.29 23.31 4 7 13 297.58 22.52 4 7 13 317.74 23.77 4 8 4 1064.27 36.95 4 8 5 13.04 5.64 4 8 6 280.83 19.33 4 8 6 295.82 14.66 4 8 7 237.91 17.62 4 8 8 927.69 36.35 4 8 9 109.06 13.74 4 8 10 262.47 21.04 4 8 11 576.24 31.45 4 8 12 4.26 6.75 4 9 5 230.42 19.84 4 9 6 916.55 37.88 4 9 7 89.12 12.49 4 9 8 213.26 19.70 4 9 9 6.89 5.41 4 9 10 592.10 33.12 4 10 6 773.59 39.50 4 10 7 153.64 17.99 5 -3 -2 3.98 3.61 5 -2 -4 25.25 3.38 5 -2 -3 710.04 20.77 5 -2 -2 374.21 17.44 5 -2 -1 2916.56 53.28 5 -2 0 49.95 8.56 5 -1 -4 1420.31 21.46 5 -1 -3 173.58 9.53 5 -1 -2 3.10 2.50 5 -1 -1 2060.28 40.65 5 -1 0 92.22 9.99 5 -1 1 2207.96 49.81 5 -1 2 99.76 11.70 5 -1 10 40.65 9.25 5 0 -5 342.49 13.74 5 0 -4 1580.52 25.30 5 0 -3 273.80 9.99 5 0 -3 290.41 12.03 5 0 -2 3519.39 33.95 5 0 -2 3383.92 45.56 5 0 -1 741.77 16.10 5 0 -1 720.44 22.71 5 0 0 440.40 13.14 5 0 0 396.92 18.13 5 0 1 2224.28 31.91 5 0 1 2221.23 47.04 5 0 2 62.58 8.79 5 0 3 955.03 34.60 5 0 4 118.12 13.41 5 0 5 372.64 24.51 5 0 6 1026.11 41.58 5 0 7 525.68 31.08 5 0 8 770.44 38.76 5 0 9 1.39 5.23 5 0 9 -2.50 4.76 5 0 10 359.14 23.17 5 0 10 290.78 25.99 5 0 11 41.95 11.05 5 0 11 37.88 9.57 5 1 -2 1611.42 30.99 5 1 -1 295.08 14.20 5 1 0 2751.95 21.83 5 1 0 2602.47 45.56 5 1 1 1337.06 18.87 5 1 1 1300.15 34.27 5 1 2 643.53 25.16 5 1 3 1959.87 46.30 5 1 4 17.90 5.32 5 1 5 974.68 25.53 5 1 5 1026.81 37.74 5 1 6 12.44 5.04 5 1 6 17.34 4.30 5 1 7 738.07 25.53 5 1 7 738.62 34.73 5 1 8 1362.26 37.05 5 1 8 1345.43 48.05 5 1 9 162.11 13.88 5 1 9 127.37 16.14 5 1 10 945.13 34.69 5 1 10 968.35 43.98 5 1 11 92.50 12.03 5 1 11 123.44 17.02 5 1 12 207.25 17.81 5 1 12 205.91 22.25 5 2 -1 16.19 3.65 5 2 0 497.05 19.61 5 2 1 117.62 3.70 5 2 1 153.83 11.66 5 2 2 3486.23 28.81 5 2 2 3331.61 57.17 5 2 3 1558.04 23.68 5 2 3 1427.34 38.80 5 2 4 210.76 10.27 5 2 4 252.30 10.50 5 2 5 2136.78 32.61 5 2 5 2285.89 52.59 5 2 6 4.63 4.16 5 2 6 0.23 2.08 5 2 6 0.05 1.34 5 2 7 1176.66 28.44 5 2 7 1287.01 42.87 5 2 8 11.93 5.50 5 2 8 17.39 4.67 5 2 9 361.26 19.10 5 2 9 386.38 25.67 5 2 10 597.60 25.90 5 2 10 651.99 34.32 5 2 11 103.65 12.35 5 2 11 123.58 15.86 5 2 12 448.17 25.62 5 2 12 419.22 29.79 5 2 13 -1.80 5.87 5 2 13 9.34 5.87 5 3 -12 586.97 30.48 5 3 -11 24.93 7.68 5 3 -10 263.30 18.22 5 3 -9 280.23 17.21 5 3 -8 769.70 25.58 5 3 -7 887.78 24.93 5 3 -6 263.67 12.35 5 3 -5 2238.62 32.05 5 3 -4 1141.88 19.06 5 3 0 2280.98 42.41 5 3 1 81.03 3.10 5 3 1 90.65 8.93 5 3 2 2334.13 22.80 5 3 2 2282.23 46.25 5 3 3 1153.35 19.93 5 3 3 1100.12 33.72 5 3 4 1029.21 21.78 5 3 4 988.24 32.88 5 3 5 1676.12 30.53 5 3 5 1624.50 43.85 5 3 6 84.27 7.77 5 3 6 79.83 10.55 5 3 7 555.47 20.30 5 3 7 556.35 27.61 5 3 8 16.74 6.52 5 3 8 12.77 3.84 5 3 9 1023.57 31.08 5 3 9 1129.99 42.09 5 3 10 9.53 5.27 5 3 10 -3.56 4.02 5 3 11 467.78 24.10 5 3 11 480.68 29.51 5 3 12 493.35 26.18 5 3 12 507.74 31.45 5 3 13 48.05 11.42 5 3 13 44.45 9.34 5 4 -11 6.38 5.41 5 4 -10 1430.07 43.89 5 4 -9 480.82 24.24 5 4 -8 239.02 15.59 5 4 -7 879.87 27.98 5 4 -6 71.23 8.33 5 4 1 61.61 7.91 5 4 2 1638.47 39.78 5 4 2 1675.24 23.82 5 4 3 322.46 11.38 5 4 3 318.44 17.81 5 4 4 2924.98 39.87 5 4 4 2992.09 37.79 5 4 5 69.42 6.57 5 4 5 86.67 10.13 5 4 6 2364.88 40.47 5 4 6 2302.26 54.07 5 4 7 1495.84 34.09 5 4 7 1413.74 43.01 5 4 8 109.61 10.08 5 4 8 110.59 13.04 5 4 9 2055.88 45.00 5 4 9 2008.66 55.55 5 4 10 386.56 20.77 5 4 10 375.65 24.93 5 4 11 742.18 29.92 5 4 11 739.73 35.61 5 4 12 240.41 18.27 5 4 12 250.63 21.51 5 4 13 33.99 9.44 5 4 13 33.35 8.23 5 5 -11 231.07 19.75 5 5 -10 626.74 29.60 5 5 -9 8.88 6.48 5 5 -8 1567.43 41.76 5 5 2 398.45 14.29 5 5 3 153.69 13.14 5 5 3 187.64 10.04 5 5 4 2642.66 55.18 5 5 4 2615.52 38.85 5 5 5 10.18 4.53 5 5 5 3.33 2.13 5 5 6 1445.05 32.75 5 5 6 1404.17 41.95 5 5 7 617.35 22.94 5 5 7 595.66 28.77 5 5 8 577.35 23.68 5 5 8 559.26 28.26 5 5 9 40.42 8.65 5 5 9 40.89 7.17 5 5 10 204.38 15.31 5 5 10 230.51 19.43 5 5 11 896.94 33.39 5 5 11 951.74 39.78 5 5 12 22.06 7.82 5 5 12 17.11 6.61 5 5 13 790.98 34.64 5 5 13 770.21 38.30 5 6 2 860.49 25.30 5 6 3 788.11 23.73 5 6 4 634.23 21.60 5 6 5 83.57 8.46 5 6 6 1204.18 40.24 5 6 6 1171.90 32.01 5 6 7 48.01 9.53 5 6 7 48.38 7.31 5 6 8 758.14 28.31 5 6 8 770.40 33.81 5 6 9 232.36 16.28 5 6 9 209.70 17.95 5 6 10 671.65 28.68 5 6 10 607.41 30.85 5 6 11 702.82 30.62 5 6 11 738.07 34.92 5 6 12 104.76 12.95 5 6 12 101.38 13.88 5 6 13 523.33 28.35 5 6 13 614.35 34.41 5 7 3 449.97 20.81 5 7 4 448.95 20.63 5 7 5 1743.55 39.87 5 7 6 894.12 30.20 5 7 7 455.24 22.39 5 7 8 694.36 28.72 5 7 9 330.83 23.26 5 7 9 331.43 20.63 5 7 10 542.38 29.79 5 7 10 583.22 28.31 5 7 11 225.06 20.21 5 7 11 202.30 17.62 5 7 12 406.13 27.10 5 7 12 371.35 24.37 5 8 4 66.05 9.57 5 8 5 508.48 24.65 5 8 6 663.23 28.58 5 8 7 1334.28 41.16 5 8 8 208.45 17.11 5 8 9 35.75 8.60 5 8 10 608.70 30.66 5 8 11 5.83 6.57 5 9 5 435.50 25.76 5 9 6 121.22 13.88 5 9 7 932.87 37.60 5 9 8 161.46 16.51 5 9 9 356.36 24.42 5 9 10 948.28 40.93 5 10 6 8.88 7.54 5 10 7 37.97 9.76 6 -3 0 303.40 21.69 6 -3 1 501.86 30.25 6 -3 2 9.20 5.92 6 -2 -2 1128.88 32.61 6 -2 -1 127.47 12.21 6 -2 0 26.87 7.31 6 -2 1 309.51 21.32 6 -2 2 17.48 7.22 6 -2 3 433.28 29.23 6 -2 4 0.83 5.27 6 -2 5 557.55 36.08 6 -2 6 84.92 15.36 6 -2 7 245.91 25.95 6 -1 -3 33.39 4.86 6 -1 -2 4859.36 63.36 6 -1 -1 21.92 5.09 6 -1 0 416.39 21.69 6 -1 1 737.70 31.64 6 -1 2 167.61 15.91 6 -1 3 1214.63 44.31 6 -1 4 248.18 21.28 6 -1 5 334.48 26.36 6 -1 6 230.98 22.85 6 -1 7 346.51 28.58 6 -1 8 110.86 17.30 6 0 -3 686.31 20.86 6 0 -2 806.70 24.24 6 0 -1 185.83 13.00 6 0 0 1609.70 39.96 6 0 1 131.86 12.40 6 0 2 527.30 25.90 6 0 3 1020.80 39.04 6 0 4 386.79 25.48 6 0 5 658.05 33.86 6 0 6 26.27 8.46 6 0 7 405.62 28.86 6 0 8 4.53 5.13 6 0 8 12.95 5.55 6 0 9 159.43 15.59 6 0 9 150.55 19.43 6 0 10 300.17 21.92 6 0 10 304.88 27.61 6 1 -2 581.88 20.72 6 1 -1 930.19 27.70 6 1 0 364.50 8.56 6 1 0 365.98 18.55 6 1 1 66.51 4.63 6 1 1 107.26 10.92 6 1 2 0.28 1.20 6 1 2 1023.48 34.92 6 1 3 -1.90 3.61 6 1 4 1558.55 30.76 6 1 4 1562.99 46.94 6 1 5 1330.63 30.29 6 1 5 1322.81 45.19 6 1 6 356.78 17.30 6 1 6 343.60 24.56 6 1 7 1279.20 34.60 6 1 7 1365.41 50.83 6 1 8 98.33 10.68 6 1 8 96.76 14.85 6 1 9 136.25 13.32 6 1 9 141.02 18.41 6 1 10 71.36 13.78 6 1 10 78.49 10.68 6 1 11 348.73 21.51 6 1 11 389.66 31.36 6 2 -1 1092.35 30.53 6 2 0 2596.46 49.26 6 2 1 1260.98 35.89 6 2 2 281.34 8.33 6 2 2 281.57 17.85 6 2 3 168.07 8.00 6 2 3 164.05 14.25 6 2 4 962.98 20.95 6 2 4 1062.10 37.23 6 2 5 21.37 6.38 6 2 5 19.56 3.75 6 2 6 1996.68 35.80 6 2 6 2068.05 55.96 6 2 7 11.70 5.83 6 2 7 13.74 3.98 6 2 8 27.57 9.11 6 2 8 30.99 5.83 6 2 9 1556.38 40.01 6 2 9 1629.64 55.22 6 2 10 3.42 4.86 6 2 10 3.84 4.86 6 2 11 708.14 30.71 6 2 11 703.89 39.17 6 3 0 501.73 21.97 6 3 1 1651.24 39.87 6 3 2 1393.21 15.08 6 3 2 1463.00 39.68 6 3 3 77.28 5.04 6 3 3 68.36 9.57 6 3 4 348.08 12.58 6 3 4 348.82 21.00 6 3 5 97.26 7.49 6 3 5 96.99 12.16 6 3 6 2293.89 38.94 6 3 6 2162.40 56.15 6 3 7 510.98 19.75 6 3 7 471.71 27.52 6 3 8 182.13 12.77 6 3 8 164.24 17.02 6 3 9 717.76 26.32 6 3 9 740.24 36.45 6 3 10 96.15 10.82 6 3 10 116.55 15.82 6 3 11 444.33 23.68 6 3 11 493.08 32.01 6 3 12 125.85 13.92 6 3 12 118.68 17.21 6 4 -7 331.80 15.26 6 4 -6 1795.82 31.64 6 4 -5 111.51 7.35 6 4 -4 560.65 13.27 6 4 -3 966.87 13.41 6 4 1 1859.32 44.40 6 4 2 143.75 6.01 6 4 2 145.46 12.95 6 4 3 3202.11 33.35 6 4 3 3034.08 59.62 6 4 4 3243.69 37.60 6 4 4 3052.77 61.84 6 4 5 392.30 14.99 6 4 5 399.19 23.26 6 4 6 2057.22 37.19 6 4 6 1535.01 47.36 6 4 7 218.90 13.41 6 4 7 207.29 17.71 6 4 8 630.44 23.87 6 4 8 575.17 30.71 6 4 9 299.43 17.39 6 4 9 268.53 21.78 6 4 10 153.23 13.51 6 4 10 163.08 18.13 6 4 11 242.26 17.48 6 4 11 291.33 24.05 6 4 12 178.39 15.68 6 4 12 168.21 19.15 6 5 -7 12.26 5.23 6 5 -6 1811.82 39.13 6 5 -5 987.73 25.35 6 5 2 38.30 4.07 6 5 2 53.74 5.09 6 5 3 740.56 30.25 6 5 3 742.28 17.99 6 5 4 267.37 18.87 6 5 4 281.99 12.26 6 5 5 1249.04 27.70 6 5 5 1214.22 39.87 6 5 6 8.14 5.04 6 5 6 11.79 3.84 6 5 7 847.68 26.50 6 5 7 808.88 34.97 6 5 8 852.58 28.26 6 5 8 792.60 35.34 6 5 9 71.09 9.25 6 5 9 79.04 12.35 6 5 10 1155.57 36.08 6 5 10 1079.21 43.80 6 5 11 429.53 23.40 6 5 11 434.80 28.63 6 5 12 343.23 21.74 6 5 12 299.89 24.98 6 6 3 725.76 21.55 6 6 4 160.72 10.31 6 6 5 1737.73 50.46 6 6 5 1764.27 36.03 6 6 6 90.93 12.40 6 6 6 76.59 8.14 6 6 7 369.54 18.45 6 6 7 387.02 25.02 6 6 8 564.81 24.00 6 6 8 493.91 27.98 6 6 9 556.53 24.61 6 6 9 530.63 29.83 6 6 10 250.40 17.53 6 6 10 217.47 19.93 6 6 11 61.70 11.29 6 6 11 65.26 9.81 6 6 12 573.51 28.58 6 6 12 545.53 32.88 6 7 3 410.98 19.29 6 7 4 498.90 20.86 6 7 5 1509.66 36.03 6 7 6 133.99 11.70 6 7 7 807.16 36.12 6 7 7 800.60 28.72 6 7 8 203.73 19.01 6 7 8 171.50 14.38 6 7 9 266.45 22.20 6 7 9 240.87 17.58 6 7 10 315.75 24.05 6 7 10 303.68 20.30 6 7 11 27.06 8.14 6 7 11 25.72 7.17 6 7 12 370.51 24.05 6 7 12 390.91 27.98 6 8 4 312.10 18.87 6 8 5 424.07 21.65 6 8 6 177.65 14.57 6 8 7 834.87 31.59 6 8 8 210.76 16.79 6 8 9 251.28 18.96 6 8 10 104.06 13.09 6 8 11 468.84 27.75 6 9 5 202.11 17.21 6 9 6 327.87 21.37 6 9 7 1112.46 39.82 6 9 8 293.37 21.04 6 9 9 102.07 13.09 6 10 6 385.08 26.36 7 -2 1 24.47 8.00 7 -2 2 375.28 27.43 7 -2 3 143.70 17.95 7 -2 4 133.20 18.64 7 -1 -1 670.40 27.70 7 -1 0 317.46 20.49 7 -1 1 247.39 19.10 7 -1 2 597.74 31.13 7 -1 3 157.34 17.71 7 -1 4 474.16 31.68 7 -1 5 269.36 25.07 7 -1 6 86.49 15.36 7 0 -3 492.57 19.56 7 0 -2 1051.69 31.50 7 0 -1 1250.11 36.45 7 0 0 2.13 3.47 7 0 1 58.00 9.16 7 0 2 301.60 21.28 7 0 3 265.34 21.04 7 0 4 814.19 37.74 7 0 5 10.96 6.48 7 0 6 394.33 29.65 7 0 7 216.55 23.17 7 0 8 167.52 21.32 7 1 -2 335.04 17.58 7 1 -1 1871.58 43.52 7 1 0 82.74 10.04 7 1 1 1374.01 41.35 7 1 2 437.58 24.33 7 1 3 14.11 6.52 7 1 4 1018.81 25.21 7 1 4 1081.57 41.86 7 1 5 23.73 7.26 7 1 5 26.69 5.00 7 1 6 252.25 14.89 7 1 6 241.75 21.69 7 1 7 6.38 6.01 7 1 7 6.01 3.52 7 1 8 612.45 26.13 7 1 8 622.49 36.82 7 1 9 102.54 11.93 7 1 9 118.03 17.39 7 2 -2 978.71 29.92 7 2 -1 441.83 21.14 7 2 0 282.27 17.90 7 2 1 835.01 31.59 7 2 2 28.95 6.75 7 2 3 1720.89 49.67 7 2 4 200.77 10.04 7 2 4 216.50 18.36 7 2 5 178.85 10.55 7 2 5 202.35 18.55 7 2 6 1120.19 28.12 7 2 6 1246.45 46.94 7 2 7 15.08 7.08 7 2 7 0.83 3.47 7 2 8 297.07 17.25 7 2 8 326.44 26.13 7 2 9 10.18 7.45 7 2 9 -3.89 4.58 7 2 10 427.08 23.13 7 2 10 430.41 31.17 7 3 -1 658.98 26.36 7 3 0 26.78 6.57 7 3 1 119.79 12.03 7 3 2 279.77 18.96 7 3 3 562.27 27.80 7 3 4 23.17 6.57 7 3 4 15.73 3.24 7 3 5 1993.35 33.39 7 3 5 1982.76 55.87 7 3 6 268.07 13.55 7 3 6 300.63 22.80 7 3 7 61.00 11.05 7 3 7 78.26 8.23 7 3 8 340.96 17.53 7 3 8 373.75 26.96 7 3 9 24.98 8.65 7 3 9 24.10 6.20 7 3 10 223.07 16.23 7 3 10 250.40 23.63 7 4 1 2533.84 55.22 7 4 2 53.19 8.70 7 4 3 699.17 30.62 7 4 4 27.80 7.17 7 4 4 32.98 3.89 7 4 5 423.93 14.89 7 4 5 407.65 25.11 7 4 6 30.48 8.28 7 4 6 22.76 4.58 7 4 7 1102.89 28.91 7 4 7 1086.70 43.38 7 4 8 237.73 14.75 7 4 8 169.83 17.62 7 4 9 135.47 12.16 7 4 9 95.37 14.29 7 4 10 521.48 24.42 7 4 10 548.39 33.81 7 4 11 16.65 8.42 7 4 11 -0.28 4.49 7 5 2 955.12 35.80 7 5 3 328.10 21.92 7 5 4 732.89 18.13 7 5 4 772.15 33.95 7 5 5 474.11 16.14 7 5 5 469.67 26.46 7 5 6 79.83 7.63 7 5 6 85.24 12.49 7 5 7 876.59 26.18 7 5 7 856.65 38.11 7 5 8 150.45 12.12 7 5 8 177.51 18.04 7 5 9 520.18 23.17 7 5 9 492.24 30.80 7 5 10 90.79 10.50 7 5 10 87.88 14.38 7 5 11 242.45 17.71 7 5 11 196.47 20.67 7 6 3 74.09 6.66 7 6 4 1005.16 39.31 7 6 4 1010.62 24.47 7 6 5 348.96 24.42 7 6 5 357.56 15.36 7 6 6 467.45 28.44 7 6 6 468.61 18.87 7 6 7 706.52 24.47 7 6 7 615.36 32.47 7 6 8 6.11 5.04 7 6 8 17.11 5.13 7 6 9 355.34 19.61 7 6 9 351.87 26.04 7 6 10 191.20 15.31 7 6 10 186.02 20.07 7 6 11 255.07 18.64 7 6 11 223.76 21.69 7 7 4 543.26 20.67 7 7 5 44.08 6.71 7 7 6 244.85 14.80 7 7 7 264.65 22.52 7 7 7 255.77 15.77 7 7 8 482.44 30.53 7 7 8 473.37 22.62 7 7 9 319.87 25.25 7 7 9 296.97 18.59 7 7 10 2.45 6.20 7 7 10 -0.60 5.00 7 8 4 581.88 25.02 7 8 5 26.87 5.97 7 8 6 436.28 21.88 7 8 7 -2.08 3.65 7 8 8 328.33 20.35 7 8 9 441.55 24.10 7 8 10 69.47 13.27 7 8 10 69.93 10.45 7 9 5 269.78 19.52 7 9 6 741.86 30.80 7 9 7 123.44 13.41 7 9 8 221.31 17.85 8 -1 2 146.15 16.84 8 0 0 123.17 13.41 8 0 1 763.97 33.99 8 0 2 31.31 8.65 8 0 3 381.80 26.64 8 0 4 31.68 9.30 8 0 5 109.75 16.10 8 1 -2 1359.58 38.16 8 1 -1 2.08 3.84 8 1 0 118.40 12.53 8 1 1 302.43 20.95 8 1 2 58.60 10.41 8 1 3 1283.96 46.07 8 1 4 22.06 7.08 8 1 5 346.79 26.46 8 1 6 474.16 32.19 8 1 7 91.62 16.00 8 2 -1 29.23 6.61 8 2 0 522.54 25.39 8 2 1 33.53 7.22 8 2 2 360.71 23.45 8 2 3 481.24 27.70 8 2 4 111.74 14.52 8 2 5 462.04 29.55 8 2 6 35.43 9.57 8 2 7 901.52 44.08 8 2 8 48.61 11.89 8 3 -1 349.65 20.63 8 3 0 691.86 29.92 8 3 1 -1.11 3.84 8 3 2 537.15 28.26 8 3 3 212.34 18.13 8 3 4 101.61 13.46 8 3 5 145.50 16.70 8 3 6 247.49 22.20 8 3 7 134.87 17.30 8 3 8 8.88 7.45 8 3 9 597.42 36.77 8 4 1 587.47 28.54 8 4 2 233.70 18.87 8 4 3 72.24 10.92 8 4 4 1390.11 48.19 8 4 5 1046.37 42.27 8 4 6 468.47 29.46 8 4 7 8.93 5.37 8 4 8 179.91 19.61 8 4 9 229.68 22.89 8 5 2 58.46 10.73 8 5 3 323.20 22.62 8 5 4 624.11 32.19 8 5 5 48.01 10.50 8 5 6 1715.39 56.10 8 5 7 13.41 6.57 8 5 8 71.41 13.51 8 5 9 529.99 33.58 8 6 4 558.61 31.40 8 6 5 342.58 25.02 8 6 6 384.76 27.24 8 6 7 16.97 8.60 8 6 8 251.23 22.57 8 6 9 103.93 16.14 8 7 6 146.57 17.39 8 7 7 153.23 17.76 8 7 8 421.25 30.02 8 7 9 9.16 6.98 9 1 1 10.96 6.11 9 1 2 223.90 20.40 9 1 3 147.12 17.16 9 2 -1 1198.49 40.33 9 2 0 76.31 10.82 9 2 1 32.70 7.96 9 2 2 425.09 26.55 9 2 3 -2.13 5.87 9 2 4 648.53 35.66 9 2 5 21.41 7.72 9 3 0 10.45 6.24 9 3 1 503.30 28.07 9 3 2 31.45 8.46 9 3 3 103.83 14.29 9 3 4 487.39 30.11 9 3 5 32.14 10.04 9 3 6 464.86 32.01 9 4 1 507.14 28.54 9 4 2 278.10 21.69 9 4 3 158.13 16.70 9 4 4 65.44 12.26 9 4 5 36.03 8.97 9 4 6 158.13 18.45 9 4 7 46.16 11.47 9 5 2 22.52 8.09 9 5 3 397.62 27.06 9 5 4 257.57 22.11 9 5 5 374.17 26.87 9 5 6 78.81 13.14 9 5 7 97.26 15.40 9 6 4 30.06 9.62 9 6 5 203.50 20.44 9 6 6 159.47 19.33 9 6 7 97.68 15.03 9 7 6 10.31 7.49 9 7 7 441.00 31.64 10 4 1 64.43 11.89 10 4 2 18.69 7.72 10 5 2 222.93 21.00 10 5 3 268.99 23.63 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 9977 _shelx_res_file ; TITL rsseno2_a.res in P-1 shelx.res created by SHELXL-2018/3 at 18:15:55 on 29-Jan-2019 REM Old TITL RSSENO2 in P1 REM SHELXT solution in P-1: R1 0.105, Rweak 0.012, Alpha 0.065 REM 0.000 for 0 systematic absences, Orientation as input REM Formula found by SHELXT: C14 N O3 Se CELL 0.71073 7.653 7.8066 11.5939 76.603 88.358 61.263 ZERR 2 0.0007 0.0005 0.0005 0.005 0.005 0.008 LATT 1 SFAC C H N O Se UNIT 24 16 4 8 2 temp -173.15 L.S. 15 acta conf bond $h htab EQIV $1 x-1, y+1, z HTAB C5 O1_$1 EQIV $2 x+1, y, z HTAB C8 O4_$2 bind se1 o2 bind se1 o3 OMIT 1 2 1 OMIT -1 -1 1 OMIT -1 0 1 OMIT 0 0 3 OMIT 0 0 1 OMIT 1 2 2 OMIT 0 1 1 OMIT 0 1 2 OMIT -1 0 2 OMIT 1 1 1 OMIT 1 -1 2 OMIT -1 3 1 OMIT -2 1 0 OMIT 2 1 1 OMIT -3 -1 2 OMIT 4 3 2 OMIT -1 2 2 OMIT 2 -1 2 OMIT 4 2 2 OMIT 3 1 1 OMIT 4 5 0 REM REM REM WGHT 0.042900 0.602300 FVAR 1.37074 SE1 5 0.666328 0.569562 0.212668 11.00000 0.02034 0.01286 = 0.01461 -0.00431 0.00327 -0.00518 O1 4 1.152737 0.068591 0.463808 11.00000 0.01509 0.01519 = 0.04128 -0.00147 0.00461 -0.00170 O2 4 0.936289 0.190221 0.310349 11.00000 0.03980 0.01600 = 0.02164 -0.00620 0.00779 -0.00392 O3 4 0.301322 0.693188 0.061182 11.00000 0.02915 0.01804 = 0.02508 -0.00646 -0.00071 -0.01251 O4 4 0.031039 0.894375 0.128964 11.00000 0.02102 0.03197 = 0.02314 -0.00257 0.00137 -0.01689 N1 3 0.992224 0.197438 0.405943 11.00000 0.01707 0.01079 = 0.02594 -0.00268 0.00925 -0.00454 N2 3 0.204316 0.838625 0.103310 11.00000 0.02259 0.01934 = 0.01395 0.00021 -0.00059 -0.01340 C1 1 0.859046 0.367698 0.454492 11.00000 0.01217 0.01237 = 0.02142 -0.00568 0.00703 -0.00555 C2 1 0.890993 0.344719 0.575682 11.00000 0.01596 0.01537 = 0.02175 -0.00011 0.00005 -0.00818 H2 2 0.990891 0.227688 0.619434 11.00000 0.03156 C3 1 0.765400 0.500072 0.626143 11.00000 0.02299 0.02045 = 0.01605 -0.00405 0.00151 -0.01128 H3 2 0.784341 0.481943 0.702171 11.00000 0.02127 C4 1 0.609832 0.674496 0.554804 11.00000 0.02073 0.01671 = 0.01863 -0.00661 0.00726 -0.00827 H4 2 0.518548 0.774521 0.585192 11.00000 0.02822 C5 1 0.579546 0.695912 0.433935 11.00000 0.01294 0.01327 = 0.01697 -0.00355 0.00406 -0.00454 H5 2 0.474266 0.813894 0.383767 11.00000 0.02037 C6 1 0.706011 0.541994 0.380043 11.00000 0.01170 0.01501 = 0.01473 -0.00499 0.00472 -0.00738 C7 1 0.499995 0.858960 0.166815 11.00000 0.01675 0.01224 = 0.01374 -0.00255 0.00354 -0.00725 C8 1 0.579386 0.981563 0.179155 11.00000 0.01804 0.02008 = 0.01693 -0.00378 0.00229 -0.01098 H8 2 0.714740 0.925209 0.210680 11.00000 0.01818 C9 1 0.462757 1.189580 0.149965 11.00000 0.02876 0.02016 = 0.01737 -0.00617 0.00571 -0.01659 H9 2 0.528147 1.268449 0.154008 11.00000 0.02678 C10 1 0.261441 1.281180 0.107923 11.00000 0.02750 0.01332 = 0.01643 -0.00416 0.00253 -0.00879 H10 2 0.181491 1.419293 0.088537 11.00000 0.02045 C11 1 0.177753 1.163039 0.095357 11.00000 0.01998 0.01937 = 0.01461 -0.00410 0.00040 -0.00688 H11 2 0.047811 1.220798 0.065136 11.00000 0.02489 C12 1 0.298438 0.955992 0.122717 11.00000 0.01992 0.01630 = 0.01274 -0.00314 0.00231 -0.01119 HKLF 4 REM rsseno2_a.res in P-1 REM wR2 = 0.0797, GooF = S = 1.025, Restrained GooF = 1.025 for all data REM R1 = 0.0321 for 2743 Fo > 4sig(Fo) and 0.0352 for all 2886 data REM 204 parameters refined using 0 restraints END WGHT 0.0429 0.6023 REM Instructions for potential hydrogen bonds HTAB C5 O1_$1 HTAB C8 O4_$2 REM Highest difference peak 1.176, deepest hole -0.520, 1-sigma level 0.104 Q1 1 0.7507 0.4314 0.2455 11.00000 0.05 1.18 Q2 1 0.4904 0.6356 0.1682 11.00000 0.05 1.10 Q3 1 0.7472 0.5863 0.2447 11.00000 0.05 0.58 Q4 1 0.8103 0.4203 0.5926 11.00000 0.05 0.48 Q5 1 0.2534 1.0618 0.0940 11.00000 0.05 0.47 Q6 1 0.7668 0.4448 0.4160 11.00000 0.05 0.46 Q7 1 0.5805 0.7291 0.1827 11.00000 0.05 0.44 Q8 1 0.8487 0.3435 0.5186 11.00000 0.05 0.42 Q9 1 0.9141 0.2807 0.4325 11.00000 0.05 0.42 Q10 1 0.2594 0.9152 0.1095 11.00000 0.05 0.40 Q11 1 0.5248 0.9413 0.1876 11.00000 0.05 0.38 Q12 1 0.5234 1.0777 0.1485 11.00000 0.05 0.37 Q13 1 0.3977 0.9121 0.1360 11.00000 0.05 0.36 Q14 1 0.7241 1.0244 0.2051 11.00000 0.05 0.35 Q15 1 0.2879 0.8043 0.5412 11.00000 0.05 0.33 Q16 1 0.3020 0.8754 0.5488 11.00000 0.05 0.32 Q17 1 0.7009 0.5948 0.5812 11.00000 0.05 0.32 Q18 1 0.6229 0.7008 0.4988 11.00000 0.05 0.30 Q19 1 0.4439 0.9255 0.2838 11.00000 0.05 0.30 Q20 1 0.5826 0.6692 0.5038 11.00000 0.05 0.30 ; _shelx_res_checksum 8875 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Se Se1 0.66633(3) 0.56956(3) 0.21267(2) 0.01707(9) Uani d 1 . . O O1 1.1527(3) 0.0686(3) 0.46381(18) 0.0274(4) Uani d 1 . . O O2 0.9363(3) 0.1902(3) 0.31035(16) 0.0298(4) Uani d 1 . . O O3 0.3013(3) 0.6932(3) 0.06118(16) 0.0234(4) Uani d 1 . . O O4 0.0310(3) 0.8944(3) 0.12896(15) 0.0244(4) Uani d 1 . . N N1 0.9922(3) 0.1974(3) 0.40594(18) 0.0194(4) Uani d 1 . . N N2 0.2043(3) 0.8386(3) 0.10331(16) 0.0180(4) Uani d 1 . . C C1 0.8590(3) 0.3677(3) 0.4545(2) 0.0153(4) Uani d 1 . . C C2 0.8910(3) 0.3447(4) 0.5757(2) 0.0183(4) Uani d 1 . . H H2 0.991(5) 0.228(5) 0.619(3) 0.032(8) Uiso d 1 . . C C3 0.7654(4) 0.5001(4) 0.6261(2) 0.0196(4) Uani d 1 . . H H3 0.784(4) 0.482(5) 0.702(3) 0.021(7) Uiso d 1 . . C C4 0.6098(4) 0.6745(4) 0.5548(2) 0.0188(4) Uani d 1 . . H H4 0.519(5) 0.775(5) 0.585(3) 0.028(8) Uiso d 1 . . C C5 0.5795(3) 0.6959(3) 0.43393(19) 0.0153(4) Uani d 1 . . H H5 0.474(5) 0.814(5) 0.384(3) 0.020(7) Uiso d 1 . . C C6 0.7060(3) 0.5420(3) 0.38004(18) 0.0133(4) Uani d 1 . . C C7 0.5000(3) 0.8590(3) 0.16682(18) 0.0143(4) Uani d 1 . . C C8 0.5794(3) 0.9816(4) 0.1792(2) 0.0178(4) Uani d 1 . . H H8 0.715(5) 0.925(4) 0.211(3) 0.018(7) Uiso d 1 . . C C9 0.4628(4) 1.1896(4) 0.1500(2) 0.0199(4) Uani d 1 . . H H9 0.528(5) 1.268(5) 0.154(3) 0.027(8) Uiso d 1 . . C C10 0.2614(4) 1.2812(4) 0.1079(2) 0.0195(4) Uani d 1 . . H H10 0.181(5) 1.419(5) 0.089(3) 0.020(7) Uiso d 1 . . C C11 0.1778(4) 1.1630(4) 0.09536(19) 0.0192(4) Uani d 1 . . H H11 0.048(5) 1.221(5) 0.065(3) 0.025(8) Uiso d 1 . . C C12 0.2984(3) 0.9560(3) 0.12272(18) 0.0154(4) Uani d 1 . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Se1 0.02034(14) 0.01286(13) 0.01461(12) -0.00518(9) 0.00327(8) -0.00431(8) O1 0.0151(8) 0.0152(8) 0.0413(10) -0.0017(7) 0.0046(7) -0.0015(7) O2 0.0398(11) 0.0160(8) 0.0216(8) -0.0039(8) 0.0078(7) -0.0062(7) O3 0.0292(9) 0.0180(8) 0.0251(8) -0.0125(7) -0.0007(7) -0.0065(7) O4 0.0210(8) 0.0320(10) 0.0231(8) -0.0169(8) 0.0014(6) -0.0026(7) N1 0.0171(9) 0.0108(9) 0.0259(10) -0.0045(7) 0.0093(7) -0.0027(7) N2 0.0226(9) 0.0193(9) 0.0139(8) -0.0134(8) -0.0006(7) 0.0002(7) C1 0.0122(9) 0.0124(10) 0.0214(10) -0.0055(8) 0.0070(8) -0.0057(8) C2 0.0160(10) 0.0154(10) 0.0218(10) -0.0082(9) 0.0000(8) -0.0001(9) C3 0.0230(11) 0.0204(11) 0.0161(10) -0.0113(9) 0.0015(8) -0.0040(9) C4 0.0207(11) 0.0167(11) 0.0186(10) -0.0083(9) 0.0073(8) -0.0066(9) C5 0.0129(9) 0.0133(10) 0.0170(10) -0.0045(8) 0.0041(7) -0.0035(8) C6 0.0117(9) 0.0150(10) 0.0147(9) -0.0074(8) 0.0047(7) -0.0050(8) C7 0.0167(10) 0.0122(9) 0.0137(9) -0.0073(8) 0.0035(7) -0.0025(7) C8 0.0180(10) 0.0201(11) 0.0169(9) -0.0110(9) 0.0023(8) -0.0038(8) C9 0.0288(12) 0.0202(11) 0.0174(10) -0.0166(10) 0.0057(9) -0.0062(9) C10 0.0275(12) 0.0133(10) 0.0164(10) -0.0088(9) 0.0025(8) -0.0042(8) C11 0.0200(11) 0.0194(11) 0.0146(9) -0.0069(9) 0.0004(8) -0.0041(8) C12 0.0199(10) 0.0163(10) 0.0127(9) -0.0112(9) 0.0023(7) -0.0031(8) 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' Se Se -0.0929 2.2259 '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_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag C6 Se1 C7 . . 97.38(9) y C6 Se1 O2 . . 72.21(7) y C7 Se1 O2 . . 167.00(8) y C6 Se1 O3 . . 130.54(7) y C7 Se1 O3 . . 68.23(7) y O2 Se1 O3 . . 124.39(6) y N1 O2 Se1 . . 103.45(13) ? N2 O3 Se1 . . 91.39(12) ? O2 N1 O1 . . 123.8(2) ? O2 N1 C1 . . 117.76(19) ? O1 N1 C1 . . 118.5(2) ? O3 N2 O4 . . 124.1(2) ? O3 N2 C12 . . 118.21(19) ? O4 N2 C12 . . 117.69(19) ? C2 C1 C6 . . 123.04(19) ? C2 C1 N1 . . 117.0(2) ? C6 C1 N1 . . 119.98(19) ? C3 C2 C1 . . 119.0(2) ? C3 C2 H2 . . 122(2) ? C1 C2 H2 . . 119(2) ? C2 C3 C4 . . 119.4(2) ? C2 C3 H3 . . 118(2) ? C4 C3 H3 . . 123(2) ? C5 C4 C3 . . 121.1(2) ? C5 C4 H4 . . 117(2) ? C3 C4 H4 . . 122(2) ? C4 C5 C6 . . 120.8(2) ? C4 C5 H5 . . 122.3(18) ? C6 C5 H5 . . 116.9(18) ? C1 C6 C5 . . 116.68(19) ? C1 C6 Se1 . . 122.05(15) ? C5 C6 Se1 . . 121.27(16) ? C8 C7 C12 . . 116.8(2) ? C8 C7 Se1 . . 119.70(17) ? C12 C7 Se1 . . 123.47(16) ? C9 C8 C7 . . 121.2(2) ? C9 C8 H8 . . 117.6(17) ? C7 C8 H8 . . 121.2(17) ? C8 C9 C10 . . 120.5(2) ? C8 C9 H9 . . 118(2) ? C10 C9 H9 . . 122(2) ? C11 C10 C9 . . 119.7(2) ? C11 C10 H10 . . 118.7(19) ? C9 C10 H10 . . 121.6(19) ? C12 C11 C10 . . 118.7(2) ? C12 C11 H11 . . 121(2) ? C10 C11 H11 . . 121(2) ? C11 C12 C7 . . 123.1(2) ? C11 C12 N2 . . 116.4(2) ? C7 C12 N2 . . 120.4(2) ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Se1 C6 . 1.919(2) y Se1 C7 . 1.930(2) y Se1 O2 . 2.6490(19) y Se1 O3 . 2.9534(18) y O1 N1 . 1.232(3) ? O2 N1 . 1.222(3) ? O3 N2 . 1.227(3) ? O4 N2 . 1.232(3) ? N1 C1 . 1.461(3) ? N2 C12 . 1.466(3) ? C1 C2 . 1.388(3) ? C1 C6 . 1.396(3) ? C2 C3 . 1.383(3) ? C2 H2 . 0.90(4) ? C3 C4 . 1.390(3) ? C3 H3 . 0.86(3) ? C4 C5 . 1.385(3) ? C4 H4 . 0.90(3) ? C5 C6 . 1.402(3) ? C5 H5 . 0.95(3) ? C7 C8 . 1.390(3) ? C7 C12 . 1.399(3) ? C8 C9 . 1.385(3) ? C8 H8 . 0.95(3) ? C9 C10 . 1.395(3) ? C9 H9 . 0.97(3) ? C10 C11 . 1.385(3) ? C10 H10 . 0.92(3) ? C11 C12 . 1.382(3) ? C11 H11 . 0.91(3) ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag C5 H5 O1 1_465 0.95(3) 2.62(3) 3.243(3) 123(2) yes C8 H8 O4 1_655 0.95(3) 2.50(3) 3.249(3) 136(2) yes 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_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag Se1 O2 N1 O1 . . . . -158.92(19) ? Se1 O2 N1 C1 . . . . 21.9(2) ? Se1 O3 N2 O4 . . . . -139.31(19) ? Se1 O3 N2 C12 . . . . 41.74(18) ? O2 N1 C1 C2 . . . . 160.4(2) ? O1 N1 C1 C2 . . . . -18.8(3) ? O2 N1 C1 C6 . . . . -18.6(3) ? O1 N1 C1 C6 . . . . 162.2(2) ? C6 C1 C2 C3 . . . . 0.5(3) ? N1 C1 C2 C3 . . . . -178.4(2) ? C1 C2 C3 C4 . . . . 0.4(3) ? C2 C3 C4 C5 . . . . -0.5(4) ? C3 C4 C5 C6 . . . . -0.3(4) ? C2 C1 C6 C5 . . . . -1.3(3) ? N1 C1 C6 C5 . . . . 177.61(19) ? C2 C1 C6 Se1 . . . . 179.76(17) ? N1 C1 C6 Se1 . . . . -1.4(3) ? C4 C5 C6 C1 . . . . 1.1(3) ? C4 C5 C6 Se1 . . . . -179.89(17) ? C12 C7 C8 C9 . . . . 0.6(3) ? Se1 C7 C8 C9 . . . . -178.33(17) ? C7 C8 C9 C10 . . . . 0.4(3) ? C8 C9 C10 C11 . . . . 0.0(3) ? C9 C10 C11 C12 . . . . -1.4(3) ? C10 C11 C12 C7 . . . . 2.4(3) ? C10 C11 C12 N2 . . . . -177.64(19) ? C8 C7 C12 C11 . . . . -2.0(3) ? Se1 C7 C12 C11 . . . . 176.85(17) ? C8 C7 C12 N2 . . . . 178.06(19) ? Se1 C7 C12 N2 . . . . -3.1(3) ? O3 N2 C12 C11 . . . . 139.8(2) ? O4 N2 C12 C11 . . . . -39.2(3) ? O3 N2 C12 C7 . . . . -40.3(3) ? O4 N2 C12 C7 . . . . 140.7(2) ? _cod_database_fobs_code 2022378