#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2015478.hkl $ #------------------------------------------------------------------------------ # # 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_2015478_Fobs loop_ _publ_author_name 'Angle, Christina S.' 'DiPasquale, Antonio G.' 'Rheingold, Arnold L.' 'Doerrer, Linda H.' _publ_section_title ; Red and yellow solvates of chloro(2,2':6',2''-terpyridine)platinum(II) chloride and Pt···Pt interactions ; _journal_coeditor_code FG3017 _journal_issue 8 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m340 _journal_page_last m342 _journal_volume 62 _journal_year 2006 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90.000 _cell_angle_beta 98.586 _cell_angle_gamma 90.000 _cell_length_a 6.9085 _cell_length_b 17.0822 _cell_length_c 13.8402 _exptl_crystal_F_000 1000.00 _reflns_d_resolution_high 0.7689 _[local]_cod_data_source_file fg3017IIsup3.hkl _[local]_cod_data_source_block II #BEGIN Tags that were not found in dictionaries: _shelx_title ' LHD8 in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 449.69 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status -2 0 0 202218.59 212125.22 1199.44 o 2 0 0 202218.59 230218.33 1338.72 o -2 0 0 202218.59 221524.59 1295.21 o -4 0 0 61280.30 62564.43 942.98 o 4 0 0 61280.30 62020.88 944.82 o -4 0 0 61280.30 60042.15 840.30 o -5 0 3 10534.58 10947.81 467.57 o 5 0 -3 10534.58 9805.24 452.38 o -5 0 3 10534.58 10261.76 402.19 o 6 0 0 13979.44 13159.98 571.40 o -6 0 0 13979.44 12622.88 561.50 o -1 -1 0 544.54 604.09 64.00 o 1 -1 0 544.54 636.09 64.92 o -1 1 0 544.54 579.23 56.40 o 1 1 0 544.54 628.27 55.02 o -1 -1 0 544.54 578.77 54.56 o -1 1 0 544.54 523.75 49.73 o -2 1 0 263.67 290.54 78.27 o -2 -1 0 263.67 345.33 85.64 o 2 -1 0 263.67 249.10 69.99 o 2 1 0 263.67 216.64 60.55 o -2 1 0 30758.85 34765.54 436.03 o 3 1 0 2710.60 2749.04 185.79 o 3 -1 0 2710.62 2773.21 195.46 o -3 -1 0 2710.60 2923.78 197.53 o -3 1 0 2710.62 2556.81 184.17 o -3 1 0 25957.77 26773.50 495.20 o -4 1 0 391.82 375.26 107.97 o 4 1 0 391.82 357.07 107.51 o -4 -1 0 391.82 330.59 108.20 o -4 -1 0 391.82 351.08 135.37 o -4 1 0 391.82 414.85 133.99 o 4 -1 0 391.82 333.82 116.26 o -5 1 0 6041.69 5419.58 309.64 o 5 -1 0 6041.69 5921.22 363.75 o -5 -1 0 6041.67 5751.09 317.01 o -5 -1 0 6041.67 5409.22 350.85 o 5 1 0 6041.67 5631.15 349.47 o -5 1 0 6041.69 6081.22 361.90 o -6 -1 0 201.53 238.05 195.69 o 6 1 0 201.53 283.86 159.77 o -6 -1 0 201.53 84.49 135.37 o 6 -1 0 201.53 215.95 158.39 o -6 1 0 201.53 140.20 185.56 o 7 1 0 7987.54 7684.69 527.20 o 7 -1 0 7987.56 7866.57 543.78 o -7 -1 0 7987.54 8856.51 600.87 o -7 1 0 7987.56 8545.25 580.61 o -8 -1 0 26.00 577.85 307.57 o 8 -1 0 4403.49 4771.51 520.29 o 0 2 0 102818.19 121695.84 863.09 o 0 -2 0 102818.19 123125.95 792.41 o 0 -2 0 102818.19 124659.20 945.05 o -1 2 0 5649.73 5982.69 150.56 o -1 -2 0 5649.74 5752.01 163.69 o 1 2 0 5649.74 6054.75 128.00 o -1 -2 0 5649.74 5673.97 166.45 o 1 -2 0 5649.73 5835.58 172.43 o -1 2 0 5649.73 5508.21 151.94 o -2 -2 0 23744.42 24125.75 441.33 o -2 2 0 23744.44 23474.01 389.53 o 2 2 0 23744.42 24778.65 377.56 o 2 -2 0 23744.44 24838.97 456.98 o -2 -2 0 23744.42 23212.48 398.51 o -2 2 0 24147.29 22757.56 378.02 o -3 -2 0 3983.76 4193.20 234.13 o -3 2 0 3983.78 4317.29 221.93 o 3 -2 0 3983.78 4224.74 240.81 o 3 2 0 3983.76 4089.60 207.89 o -3 2 0 6919.73 6717.32 262.68 o -4 2 0 15304.78 15088.52 465.04 o -4 -2 0 15304.78 15339.23 491.06 o -4 -2 0 15304.78 15190.97 447.08 o 4 2 0 15304.78 15417.74 459.75 o -4 2 0 15304.78 14280.46 414.16 o 4 -2 0 15304.78 15559.32 507.63 o -5 2 0 16657.43 17796.81 580.61 o 5 2 0 16657.45 18318.95 574.17 o -5 -2 0 16657.45 16966.88 530.88 o 5 -2 0 16657.43 17287.34 601.33 o -5 -2 0 16657.45 17372.06 599.26 o -5 2 0 16657.43 16197.03 497.04 o -6 -2 0 5930.00 5499.92 412.32 o -6 2 0 5929.98 5570.14 395.06 o -6 -2 0 5930.00 5371.69 349.70 o 6 -2 0 5929.98 5542.28 401.73 o 6 2 0 5930.00 5488.64 373.87 o -7 2 0 241.83 19.80 341.18 o 7 -2 0 241.83 -6.91 279.95 o -7 -2 0 241.83 94.62 333.36 o 7 2 0 241.83 125.93 281.10 o 8 -2 0 1573.48 1342.63 407.26 o -8 -2 0 1565.96 1554.90 377.79 o 1 -3 0 510.99 573.01 75.97 o -1 -3 0 511.00 515.00 75.05 o -1 3 0 510.99 528.58 73.90 o 1 3 0 511.00 459.98 49.27 o -2 -3 0 917.28 857.79 113.73 o -2 -3 0 917.28 1085.02 112.35 o -2 3 0 917.29 1374.64 120.63 o 2 3 0 917.28 1004.44 96.00 o 2 -3 0 917.29 884.73 119.25 o 3 -3 0 2664.93 2768.61 206.51 o -3 3 0 2664.93 2751.34 187.17 o -3 -3 0 2664.93 2584.20 195.23 o 3 3 0 2664.93 2826.16 178.88 o -3 3 0 19229.03 18551.24 430.51 o 4 3 0 530.03 500.96 123.86 o -4 -3 0 530.03 558.05 132.84 o -4 3 0 530.03 525.13 119.71 o 4 -3 0 530.03 424.75 129.38 o -4 -3 0 530.03 620.21 158.16 o -4 3 0 530.03 579.69 144.58 o -5 -3 0 5145.66 4608.98 302.51 o -5 3 0 5145.64 5235.86 343.03 o 5 3 0 5145.66 5043.40 315.17 o -5 -3 0 5145.66 4919.08 352.93 o -5 3 0 5145.64 4710.04 291.69 o 5 -3 0 5145.64 4952.92 356.61 o -6 3 0 223.05 293.30 195.00 o 6 -3 0 223.05 153.56 153.79 o -6 -3 0 223.05 282.94 210.42 o 6 3 0 223.05 170.82 143.89 o -6 -3 0 223.05 130.99 145.96 o 7 -3 0 7697.66 7860.35 554.37 o 8 -3 0 7790.06 7901.79 619.06 o 0 -4 0 45420.87 47022.14 450.08 o 0 -4 0 45420.87 47834.58 554.60 o 0 4 0 45420.87 47208.62 580.15 o 1 -4 0 2903.95 3447.29 167.14 o 1 -4 0 2903.95 3254.37 153.10 o -1 -4 0 2903.95 3301.33 161.84 o 1 4 0 2903.95 3474.00 170.82 o -1 4 0 2903.95 3421.51 163.69 o -2 4 0 19951.25 20156.79 380.32 o 2 -4 0 19951.25 19831.03 445.01 o 2 4 0 19951.24 20857.57 325.30 o -2 -4 0 19951.24 20218.48 423.83 o -3 -4 0 7.42 15.89 79.89 o 3 4 0 7.42 -14.73 51.57 o 3 -4 0 7.42 35.91 69.07 o -3 4 0 7.42 -11.28 85.18 o -3 4 0 125.48 94.62 115.57 o -4 -4 0 12082.23 11305.57 407.95 o -4 4 0 12082.27 11179.41 387.92 o -4 -4 0 12082.23 11875.13 454.22 o -4 4 0 12082.27 12513.53 428.21 o 4 -4 0 12082.27 11746.21 466.65 o 4 4 0 12082.23 12383.69 395.52 o -5 4 0 15474.91 17182.59 572.32 o -5 -4 0 15474.91 15465.16 528.35 o -5 4 0 15474.91 14950.39 499.34 o 5 -4 0 15474.91 16454.18 609.16 o 5 4 0 15474.91 16980.69 530.65 o -6 4 0 5178.45 4925.53 372.26 o -6 -4 0 5178.48 4817.78 354.77 o 6 -4 0 5178.45 4412.60 372.49 o -6 -4 0 5178.48 4875.34 406.11 o 6 4 0 5178.48 4978.02 352.46 o 7 -4 0 106.28 48.58 282.48 o 8 -4 0 1971.42 1871.91 421.30 o 1 -5 0 30.17 52.03 45.58 o -1 -5 0 30.17 28.09 30.62 o -1 -5 0 30.17 40.98 50.65 o 1 -5 0 30.17 55.48 58.71 o -1 5 0 30.17 35.68 75.05 o 1 5 0 30.17 54.56 57.32 o 2 -5 0 460.98 555.98 105.90 o 2 5 0 460.98 445.70 67.68 o -2 -5 0 460.98 420.38 99.45 o 2 5 0 460.98 512.47 111.20 o -2 5 0 7978.23 8617.08 292.15 o 3 -5 0 567.42 498.88 124.55 o 3 5 0 567.41 621.13 119.94 o -3 5 0 20939.60 20324.15 495.89 o -4 5 0 481.01 574.86 157.47 o 4 5 0 481.01 542.39 122.71 o -4 -5 0 481.01 409.33 126.16 o -4 5 0 481.01 372.49 117.87 o 4 -5 0 481.01 467.57 138.82 o 5 5 0 1420.90 1249.17 192.23 o -5 -5 0 1420.90 1415.84 210.19 o -5 5 0 1420.89 1547.99 238.05 o 5 -5 0 1420.89 1650.21 250.94 o -5 5 0 1420.89 1485.14 203.05 o -6 -5 0 314.41 407.95 180.49 o 6 -5 0 314.41 504.64 190.16 o 7 -5 0 9236.08 9893.41 620.90 o 8 -5 0 7474.91 7513.18 614.22 o 0 -6 0 42175.75 41626.05 630.11 o 0 6 0 42175.75 42419.15 674.54 o 0 -6 0 42175.75 42979.50 509.93 o 1 -6 0 12666.73 12302.88 315.17 o -1 -6 0 12666.69 12173.96 350.85 o -1 -6 0 12666.69 10671.55 241.96 o -1 6 0 12666.73 10726.80 364.21 o 1 6 0 12666.69 12279.86 362.13 o 1 -6 0 12666.73 11621.43 342.33 o 2 6 0 27553.51 28983.13 374.57 o 2 6 0 27553.51 29053.35 620.21 o 2 -6 0 27553.52 27746.40 560.12 o -2 6 0 29779.70 31390.53 552.98 o -3 6 0 6744.55 6412.51 311.26 o -3 6 0 6488.93 6720.54 285.70 o 3 -6 0 6488.93 6688.08 325.99 o 3 6 0 6488.98 6801.81 234.59 o -4 -6 0 13445.94 13183.24 469.42 o 4 6 0 13445.94 13203.50 384.00 o -4 6 0 13445.89 12492.81 441.56 o -4 6 0 13445.89 13407.93 445.47 o 4 -6 0 13445.89 12609.30 498.42 o -5 6 0 16241.88 18454.32 594.88 o -5 6 0 16241.88 15656.01 540.32 o 5 -6 0 16241.88 16917.61 642.54 o -5 -6 0 16241.91 16770.27 583.37 o 6 -6 0 5510.55 5152.98 412.09 o -6 -6 0 5510.54 5431.32 387.46 o 7 -6 0 114.36 -126.62 285.70 o 8 -6 0 2073.61 1547.76 428.90 o 8 6 0 2060.23 2157.61 404.03 o -1 -7 0 479.51 520.75 115.80 o -1 7 0 479.52 386.08 134.45 o 1 7 0 479.51 430.51 107.28 o 1 -7 0 479.52 515.92 113.73 o -1 -7 0 479.51 415.77 92.55 o 1 -7 0 479.52 424.98 91.63 o 2 -7 0 173.14 228.15 84.95 o 2 7 0 21818.99 24077.87 605.01 o -2 7 0 21819.07 23508.31 540.55 o 3 7 0 3537.27 3331.72 172.66 o 3 7 0 3537.27 4060.13 289.61 o 3 -7 0 3537.31 3611.44 251.86 o -3 -7 0 19835.53 21312.02 581.30 o -3 7 0 19835.50 18783.99 531.34 o -4 7 0 445.57 401.50 132.61 o 4 -7 0 445.57 452.38 140.43 o 4 7 0 445.56 407.49 159.77 o -4 7 0 445.57 654.28 173.12 o -4 -7 0 445.56 576.70 148.72 o -5 7 0 5042.28 4722.47 328.75 o 5 -7 0 5042.28 4894.91 382.39 o -5 -7 0 5042.28 4640.75 336.81 o -6 -7 0 561.32 565.42 202.13 o 6 -7 0 561.32 526.28 203.74 o 7 -7 0 6381.95 6007.78 534.57 o 7 7 0 6381.93 6796.97 544.93 o 8 7 0 431.23 678.45 313.79 o 8 -7 0 5378.81 5382.74 599.49 o 0 -8 0 37920.23 39149.82 708.38 o 0 -8 0 37920.23 38277.98 560.81 o 0 8 0 37920.23 37656.62 742.92 o -1 8 0 2832.37 1721.80 222.62 o 1 -8 0 2832.37 2646.36 209.27 o -1 -8 0 2832.37 3075.95 221.01 o 1 -8 0 2832.37 2707.83 175.89 o 1 8 0 2832.37 3051.32 223.08 o 2 8 0 26541.97 27411.43 678.45 o 2 -8 0 26541.99 26171.94 593.50 o -2 8 0 26541.99 28239.53 631.03 o 3 8 0 1514.66 1543.85 228.15 o -3 8 0 1514.65 1577.92 207.89 o -3 8 0 1214.12 1475.70 178.88 o 4 -8 0 12283.96 11860.86 503.72 o -4 -8 0 12283.95 11924.17 486.68 o 4 8 0 12283.95 12114.33 531.34 o -4 8 0 12283.96 12377.01 441.33 o -4 8 0 12283.96 12060.00 475.63 o -5 8 0 11102.69 11309.72 501.65 o 5 8 0 11102.71 10935.15 550.45 o -5 -8 0 11102.71 11547.76 522.14 o 5 -8 0 11102.69 11455.21 552.98 o -6 -8 0 5324.94 4976.86 397.13 o 6 8 0 5324.94 4750.33 410.71 o 6 -8 0 5324.92 5016.00 424.52 o 7 8 0 540.36 490.37 299.97 o 7 -8 0 540.36 312.41 301.59 o 8 8 0 1814.67 1812.05 373.87 o -1 9 0 467.67 426.36 170.13 o 1 -9 0 467.67 517.76 132.61 o 1 -9 0 467.67 453.30 104.29 o 1 9 0 467.68 480.01 136.06 o -1 -9 0 467.68 485.99 120.17 o -2 9 0 15765.68 15371.00 524.21 o 2 9 0 15765.60 16252.51 551.37 o 2 -9 0 15765.68 16298.55 488.75 o -2 -9 0 15765.60 17177.07 541.24 o -3 -9 0 16021.81 14255.13 527.43 o -3 9 0 16021.79 15083.00 528.81 o 3 9 0 16021.81 16451.65 593.27 o 4 9 0 204.63 276.49 145.27 o -4 9 0 204.63 299.97 166.22 o -4 9 0 204.63 165.53 126.85 o -4 -9 0 204.63 368.81 149.41 o 4 -9 0 204.63 225.38 136.75 o -5 9 0 4142.97 4244.77 351.77 o 5 9 0 4142.97 3818.41 346.25 o -5 -9 0 4142.97 4394.18 352.00 o 5 -9 0 4142.97 4035.04 360.06 o -6 -9 0 286.12 416.00 195.46 o 6 -9 0 286.12 129.84 169.21 o 6 9 0 286.12 504.18 207.43 o 7 -9 0 5249.11 4888.23 503.03 o 7 9 0 5249.11 5481.73 500.26 o 0 -10 0 63109.34 63378.02 828.79 o 0 -10 0 63109.34 64382.92 1019.64 o 0 10 0 63109.34 64913.57 1109.88 o -1 10 0 249.35 110.27 161.15 o 1 -10 0 249.35 353.62 94.85 o 1 10 0 249.34 299.05 124.55 o -1 -10 0 249.34 271.20 113.50 o 1 -10 0 249.35 296.98 123.17 o 2 10 0 29328.29 29135.08 767.09 o -2 -10 0 29328.29 27834.81 719.66 o 2 -10 0 29328.30 27452.18 649.45 o -2 10 0 29328.30 28588.54 769.85 o 3 10 0 526.24 750.05 220.32 o -3 10 0 526.25 567.72 186.48 o 3 -10 0 526.25 424.75 195.23 o -3 -10 0 526.24 427.75 209.04 o -3 10 0 84.20 250.71 153.10 o 4 10 0 13687.44 13723.79 600.64 o -4 -10 0 13687.44 12107.42 532.73 o 4 -10 0 13687.43 12723.03 547.23 o -5 -10 0 8054.91 8826.58 493.13 o 5 -10 0 8054.85 7960.27 489.21 o 5 10 0 8054.91 7665.82 485.99 o -5 10 0 8054.85 7984.44 474.02 o -6 -10 0 5591.14 5060.43 419.46 o 6 10 0 5591.14 5004.03 427.98 o 6 -10 0 5591.11 4527.94 409.79 o 7 -10 0 1055.35 1035.29 345.33 o 7 10 0 1055.35 1087.78 310.56 o -1 -11 0 121.22 224.92 112.81 o 1 -11 0 121.23 110.04 109.35 o 1 -11 0 121.23 176.12 81.50 o 1 11 0 121.22 158.85 126.85 o -1 11 0 121.23 180.03 179.34 o -2 -11 0 7765.17 8103.92 438.80 o 2 -11 0 7765.24 7841.01 377.56 o 2 11 0 7765.17 7511.11 441.56 o -2 11 0 7765.24 6779.02 464.35 o -3 11 0 12375.57 12296.43 534.80 o 3 11 0 12375.64 12614.83 576.01 o 3 -11 0 12375.57 13122.00 535.95 o -3 -11 0 12375.64 13166.43 554.83 o -4 -11 0 56.76 17.96 130.53 o 4 11 0 56.76 180.26 147.57 o 4 -11 0 56.76 136.52 123.63 o 5 11 0 2125.17 2208.03 286.16 o -5 -11 0 2125.17 2204.11 306.88 o 5 -11 0 2125.22 1958.70 290.08 o -5 11 0 2125.22 2422.82 330.36 o -6 -11 0 17.32 -60.09 172.43 o 6 -11 0 17.32 80.35 145.73 o 6 11 0 17.32 102.22 140.89 o 7 -11 0 5596.61 5482.65 494.28 o 7 11 0 5596.57 6281.28 541.01 o 0 -12 0 22075.81 22129.30 664.64 o 0 -12 0 22075.81 23450.29 581.30 o 0 12 0 22075.81 23407.70 761.10 o 1 -12 0 5715.75 5220.67 350.62 o 1 -12 0 5715.75 5480.12 293.30 o -1 -12 0 5715.73 5370.77 351.54 o -1 12 0 5715.75 4460.94 411.63 o 1 12 0 5715.73 5812.10 384.70 o 2 -12 0 8876.04 8392.16 399.20 o -2 12 0 8876.04 8223.18 531.57 o -2 -12 0 8876.06 8804.94 474.25 o 2 12 0 8876.06 8594.29 494.74 o 3 -12 0 4312.97 4421.81 353.16 o -3 12 0 4312.97 4181.23 361.90 o 3 12 0 4312.94 4355.27 401.04 o -3 -12 0 4312.94 4541.98 378.48 o 4 -12 0 5901.82 5335.31 389.99 o -4 -12 0 5901.79 5134.33 386.54 o 4 12 0 5901.79 6203.93 445.24 o -5 -12 0 11579.78 12128.37 609.16 o 5 -12 0 11579.82 11531.88 606.40 o -5 12 0 11579.82 11627.19 601.79 o 5 12 0 11579.78 11719.74 640.47 o 6 12 0 3566.43 3602.69 380.55 o 6 -12 0 3566.47 3507.38 380.09 o -6 -12 0 3566.43 3801.14 402.42 o 7 -12 0 1064.74 1308.79 352.46 o 7 12 0 1064.73 865.39 336.81 o -1 -13 0 252.90 272.35 146.19 o -1 13 0 252.90 180.49 234.59 o 1 -13 0 252.90 346.94 158.39 o 1 -13 0 252.90 273.73 107.51 o 1 13 0 252.90 252.55 163.46 o -2 13 0 10073.54 6639.27 533.42 o 2 -13 0 10073.54 10088.64 448.93 o 2 13 0 10073.51 9455.54 533.65 o -2 -13 0 10073.51 10302.05 528.12 o -3 -13 0 10887.42 11664.71 579.46 o 3 -13 0 10887.38 10689.05 517.07 o 3 13 0 10887.42 11539.25 621.59 o -3 13 0 10887.38 10292.38 542.16 o -4 -13 0 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