#------------------------------------------------------------------------------ #$Date: 2016-04-03 06:37:37 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181264 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/42/2234288.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_2234288_Fobs loop_ _publ_author_name 'Ha, Kwang' _publ_section_title ; Tetrakis(azido-\kN)(di-2-pyridylamine-\k^2^N^2^,N^2'^)platinum(IV) ; _journal_coeditor_code IS5092 _journal_issue 4 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m447 _journal_volume 68 _journal_year 2012 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 98.118 _cell_angle_gamma 90.000 _cell_length_a 7.0057 _cell_length_b 14.7685 _cell_length_c 14.9633 _exptl_crystal_F_000 1008.00 _reflns_d_resolution_high 0.8103 _cod_data_source_file is5092Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' [Pt(N3)4(dpa)]' _shelx_refln_list_code 4 _shelx_f_calc_maximum 357.06 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -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 29827.90 32984.98 1062.74 o 3 0 0 70609.09 75662.85 2185.94 o 4 0 0 639.29 1051.89 283.89 o 5 0 0 19501.15 20025.41 1097.78 o 7 0 0 35.48 -4.72 210.14 o 8 0 0 4599.98 5432.00 607.45 o 1 1 0 61356.18 66815.18 1258.93 o 2 1 0 4915.71 4864.50 200.72 o 3 1 0 6267.17 6881.99 489.46 o 4 1 0 40009.57 41284.04 901.67 o 5 1 0 8182.51 8462.01 413.63 o 6 1 0 3971.54 4045.45 336.58 o 7 1 0 7992.20 8326.39 622.91 o 8 1 0 525.44 277.27 210.40 o 0 2 0 4266.13 4397.72 222.95 o 1 2 0 140.67 201.28 58.25 o 2 2 0 78.98 32.27 52.73 o 3 2 0 9537.61 9522.54 348.33 o 4 2 0 1790.55 1674.84 243.74 o 5 2 0 2361.88 2410.42 261.34 o 6 2 0 2291.41 2337.91 298.54 o 7 2 0 171.93 -96.49 148.26 o 8 2 0 1659.36 1522.48 335.84 o 1 3 0 124.10 84.49 64.75 o 2 3 0 8219.06 8062.85 286.59 o 3 3 0 419.53 527.05 115.39 o 4 3 0 595.81 598.74 170.51 o 5 3 0 741.98 544.42 155.00 o 6 3 0 228.49 363.66 149.41 o 7 3 0 20.14 -133.82 133.82 o 8 3 0 395.19 563.27 327.40 o 0 4 0 3690.42 3809.60 279.61 o 1 4 0 3017.73 2945.20 189.85 o 2 4 0 14031.44 14269.00 421.12 o 3 4 0 27181.37 28356.54 684.54 o 4 4 0 303.68 184.83 108.71 o 5 4 0 8577.52 9321.95 446.29 o 6 4 0 6111.19 5927.10 393.12 o 7 4 0 1.98 -20.13 148.03 o 8 4 0 2323.71 2813.38 488.13 o 1 5 0 40199.57 40256.02 847.50 o 2 5 0 52656.69 52680.65 785.19 o 3 5 0 1467.88 1245.02 275.70 o 4 5 0 17878.15 17986.24 589.51 o 5 5 0 3872.66 3896.14 304.30 o 6 5 0 3898.62 3759.60 336.75 o 7 5 0 9844.51 10536.28 577.80 o 8 5 0 381.83 487.99 274.02 o 0 6 0 2660.43 2030.63 312.13 o 1 6 0 5440.53 4877.94 294.18 o 2 6 0 16046.18 15768.23 631.34 o 3 6 0 28530.43 28428.43 746.88 o 4 6 0 461.01 352.26 127.66 o 5 6 0 8283.06 8594.28 456.24 o 6 6 0 6923.22 7127.90 448.12 o 7 6 0 3.28 -75.28 174.43 o 8 6 0 4562.71 4182.52 586.88 o 1 7 0 10765.58 9732.67 480.52 o 2 7 0 19169.11 18023.33 595.66 o 3 7 0 357.50 206.16 116.64 o 4 7 0 6326.41 5762.30 360.98 o 5 7 0 1578.76 1329.93 236.79 o 6 7 0 431.24 302.53 185.61 o 7 7 0 2673.07 2455.43 432.15 o 0 8 0 90.92 146.40 165.07 o 1 8 0 221.07 160.87 152.31 o 2 8 0 416.59 365.57 148.85 o 3 8 0 153.18 187.06 125.45 o 4 8 0 51.96 54.24 119.51 o 5 8 0 243.48 240.97 152.95 o 6 8 0 40.82 -113.85 135.56 o 7 8 0 72.76 -3.16 202.03 o 1 9 0 9049.70 9259.19 492.98 o 2 9 0 3251.65 2880.32 309.17 o 3 9 0 3271.40 3221.21 316.97 o 4 9 0 5008.09 5098.94 391.73 o 5 9 0 793.48 963.26 237.34 o 6 9 0 1460.46 1319.22 286.37 o 7 9 0 2343.47 2697.64 406.83 o 0 10 0 54651.33 54840.54 3830.28 o 1 10 0 5381.64 4220.01 376.11 o 2 10 0 11141.66 10641.73 979.46 o 3 10 0 19343.65 18962.37 745.17 o 4 10 0 450.05 513.07 190.70 o 5 10 0 7075.02 6977.18 489.00 o 6 10 0 7168.02 7498.37 543.18 o 7 10 0 207.37 86.75 251.52 o 1 11 0 24812.44 25719.59 924.47 o 2 11 0 15766.12 15243.87 729.23 o 3 11 0 1512.74 1498.41 286.03 o 4 11 0 19259.08 18069.19 778.94 o 5 11 0 12221.04 12354.58 667.23 o 6 11 0 1867.09 2042.83 369.02 o 0 12 0 23766.96 26045.68 1192.09 o 1 12 0 4783.19 5640.19 458.80 o 2 12 0 4341.96 3770.23 675.18 o 3 12 0 9394.04 10097.74 613.78 o 4 12 0 485.74 209.26 202.85 o 5 12 0 6680.45 6174.11 680.75 o 6 12 0 5023.58 4632.89 670.74 o 1 13 0 2002.86 2140.02 369.95 o 2 13 0 281.47 184.34 215.02 o 3 13 0 489.23 250.79 233.24 o 4 13 0 547.34 638.99 252.54 o 5 13 0 13.18 168.17 238.94 o 0 14 0 2676.92 3454.53 913.10 o 1 14 0 87.27 -28.49 211.99 o 2 14 0 180.83 189.06 220.27 o 3 14 0 2252.97 1822.93 377.44 o 4 14 0 41.49 3.81 227.96 o 5 14 0 1207.01 712.69 420.71 o 1 15 0 8451.29 9789.76 672.45 o 2 15 0 5020.74 4845.87 577.43 o 3 15 0 147.91 -144.71 240.34 o 4 15 0 4446.48 3182.01 939.95 o 0 16 0 9056.20 12557.50 1396.93 o 1 16 0 1464.35 2014.43 412.68 o 2 16 0 6101.90 6343.08 622.91 o 3 16 0 8763.04 8930.51 966.76 o 4 16 0 213.67 20.04 245.69 o 1 17 0 6678.43 7833.83 846.18 o 2 17 0 5264.75 5550.85 820.75 o 3 17 0 591.47 224.95 263.25 o 0 18 0 1638.43 2806.77 976.45 o 1 18 0 490.55 405.24 468.52 o -8 1 1 345.75 192.04 196.33 o -7 1 1 2141.41 2230.92 328.44 o -6 1 1 2255.32 2174.86 288.12 o -5 1 1 2878.52 2931.95 459.50 o -4 1 1 15375.05 14697.87 604.11 o -3 1 1 386.69 309.52 111.99 o -2 1 1 28411.60 30783.89 742.92 o -1 1 1 32752.87 35509.80 400.75 o 0 1 1 442.54 452.56 32.69 o 1 1 1 21497.18 23340.08 396.79 o 2 1 1 10111.19 10617.77 294.16 o 3 1 1 931.87 993.77 133.50 o 4 1 1 14475.30 14918.64 480.90 o 5 1 1 5134.04 5320.77 327.49 o 6 1 1 1322.30 1180.59 230.36 o 7 1 1 1823.71 1659.12 254.28 o 8 1 1 343.99 461.20 219.67 o -8 2 1 4857.13 5700.32 474.30 o -7 2 1 604.08 442.09 195.84 o -6 2 1 10188.31 10001.25 503.87 o -5 2 1 22739.09 23732.61 726.78 o -4 2 1 196.99 159.81 96.48 o -3 2 1 35109.81 36126.08 776.01 o -2 2 1 33162.64 33913.26 566.35 o -1 2 1 8766.26 8520.31 169.51 o 0 2 1 93936.09 98523.55 1051.57 o 1 2 1 14745.74 15322.35 275.27 o 2 2 1 24913.23 26990.44 664.29 o 3 2 1 28816.24 28973.45 645.61 o 4 2 1 4078.78 4332.32 265.01 o 5 2 1 11424.54 10853.85 460.67 o 6 2 1 12526.98 13399.44 572.69 o 7 2 1 63.85 -171.66 180.79 o 8 2 1 3666.99 3153.99 428.45 o -8 3 1 479.65 693.39 287.11 o -7 3 1 12241.63 12509.05 598.75 o -6 3 1 7131.73 6695.55 487.20 o -5 3 1 5935.86 6049.47 307.92 o -4 3 1 36948.18 37915.21 757.71 o -3 3 1 9739.66 9830.64 359.23 o -2 3 1 16787.01 16814.12 431.46 o -1 3 1 61870.35 64968.79 860.16 o 0 3 1 1356.42 1417.15 89.63 o 1 3 1 60030.06 64420.70 858.46 o 2 3 1 28095.69 28432.59 495.78 o 3 3 1 1232.13 1162.48 187.90 o 4 3 1 27548.53 29038.25 890.25 o 5 3 1 7998.22 7908.52 491.17 o 6 3 1 2944.05 2950.81 399.35 o 7 3 1 11021.29 11562.10 582.09 o 8 3 1 1301.64 1101.86 341.93 o -8 4 1 2795.30 2776.82 488.90 o -7 4 1 196.61 92.83 167.16 o -6 4 1 4438.63 4170.51 332.42 o -5 4 1 5623.80 5583.00 350.91 o -4 4 1 1110.53 946.66 166.39 o -3 4 1 18240.01 17454.43 513.31 o -2 4 1 21203.70 21388.63 536.19 o -1 4 1 20189.21 19891.66 497.61 o 0 4 1 23697.48 23938.35 408.56 o 1 4 1 32885.79 33557.12 532.08 o 2 4 1 12860.80 12660.98 304.18 o 3 4 1 24707.86 24981.41 520.88 o 4 4 1 2327.23 1992.98 216.42 o 5 4 1 8470.13 8726.42 431.59 o 6 4 1 5460.61 5436.16 601.12 o 7 4 1 1.79 66.15 145.04 o 8 4 1 2973.42 2575.37 476.03 o -8 5 1 5.97 -72.39 242.35 o -7 5 1 130.96 177.60 201.70 o -6 5 1 43.44 100.05 129.70 o -5 5 1 518.27 646.59 169.97 o -4 5 1 359.64 183.29 110.73 o -3 5 1 631.96 785.27 163.00 o -2 5 1 358.02 315.68 100.70 o -1 5 1 466.42 396.02 109.74 o 0 5 1 14.08 44.86 54.53 o 1 5 1 2053.95 1613.56 186.65 o 2 5 1 2930.91 2711.30 150.71 o 3 5 1 74.68 42.51 69.87 o 4 5 1 2607.22 2301.30 275.39 o 5 5 1 1544.14 1483.00 196.57 o 6 5 1 10.07 4.66 131.70 o 7 5 1 482.32 284.33 192.29 o 8 5 1 238.53 57.82 307.66 o -8 6 1 829.60 758.31 334.78 o -7 6 1 10.50 96.60 202.61 o -6 6 1 427.90 545.21 179.37 o -5 6 1 1587.02 1473.94 234.55 o -4 6 1 12.70 -0.68 99.76 o -3 6 1 4031.39 3774.06 263.78 o -2 6 1 1366.49 942.95 173.22 o -1 6 1 9332.27 9470.00 341.55 o 0 6 1 3964.90 4002.77 234.74 o 1 6 1 1534.25 1408.67 117.09 o 2 6 1 3557.98 3189.17 258.54 o 3 6 1 7528.05 7291.94 269.66 o 4 6 1 38.14 79.95 93.99 o 5 6 1 1777.35 1812.99 258.87 o 6 6 1 1181.88 1152.06 229.50 o 7 6 1 26.05 -59.47 174.00 o -7 7 1 6609.29 8214.82 658.35 o -6 7 1 887.82 893.12 222.64 o -5 7 1 2043.77 1897.87 265.05 o -4 7 1 19574.97 19600.21 674.06 o -3 7 1 3282.78 3486.03 275.10 o -2 7 1 11469.69 11176.13 463.79 o -1 7 1 32458.18 31448.72 734.68 o 0 7 1 831.76 1240.73 223.12 o 1 7 1 17130.66 15549.37 936.99 o 2 7 1 24153.57 24610.05 716.48 o 3 7 1 41.16 38.87 76.49 o 4 7 1 16070.38 15377.36 595.45 o 5 7 1 3249.59 2829.27 363.55 o 6 7 1 288.40 6.64 155.25 o 7 7 1 7025.12 7760.25 529.14 o -7 8 1 79.73 -19.34 234.48 o -6 8 1 8091.85 8721.71 567.23 o -5 8 1 10287.65 10671.28 541.99 o 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426.63 o 3 12 1 6582.28 6429.11 525.01 o 4 12 1 1126.74 838.14 260.83 o 5 12 1 2310.45 2110.86 396.22 o 6 12 1 2686.58 2651.33 436.39 o -6 13 1 1629.09 792.25 594.15 o -5 13 1 3168.91 3107.40 459.12 o -4 13 1 12622.60 11911.81 734.44 o -3 13 1 982.04 517.39 255.75 o -2 13 1 5040.73 4852.89 488.94 o -1 13 1 18803.37 18876.14 848.48 o 0 13 1 388.92 207.66 216.91 o 1 13 1 20899.90 21402.21 906.37 o 2 13 1 8976.15 7860.42 581.87 o 3 13 1 1270.79 1422.27 320.32 o 4 13 1 20497.72 18968.99 887.33 o 5 13 1 7158.61 6447.50 584.89 o -5 14 1 6882.20 7870.45 772.43 o -4 14 1 119.15 134.02 223.56 o -3 14 1 11452.64 9807.67 666.99 o -2 14 1 7633.16 7928.88 595.98 o -1 14 1 1345.12 1412.66 336.06 o 0 14 1 23168.42 27162.41 1078.42 o 1 14 1 7000.61 6603.69 556.89 o 2 14 1 2582.40 2279.55 395.87 o 3 14 1 9606.79 8912.64 631.37 o 4 14 1 691.53 936.96 326.70 o 5 14 1 4614.86 5479.34 699.92 o -4 15 1 4981.24 2717.29 1194.78 o -3 15 1 519.32 377.67 269.46 o -2 15 1 1730.04 1671.75 362.07 o -1 15 1 4536.74 4371.19 509.60 o 0 15 1 39.80 299.03 352.30 o 1 15 1 5685.01 5842.87 553.18 o 2 15 1 2272.89 2497.14 423.30 o 3 15 1 137.85 230.08 253.04 o 4 15 1 3996.72 2631.03 1025.22 o -4 16 1 87.56 -107.87 250.83 o -3 16 1 298.70 225.18 272.33 o -2 16 1 23.01 277.29 272.90 o -1 16 1 22.10 47.37 384.55 o 0 16 1 807.37 652.64 390.00 o 1 16 1 19.63 -203.99 203.99 o 2 16 1 11.34 241.52 262.01 o 3 16 1 250.45 22.54 265.78 o 4 16 1 69.22 80.11 281.42 o -3 17 1 81.30 322.96 278.46 o -2 17 1 2270.02 1576.30 545.28 o -1 17 1 2777.96 2462.43 588.60 o 0 17 1 2.43 -88.17 331.28 o 1 17 1 2269.23 1144.26 435.61 o -1 18 1 1654.61 1148.50 581.69 o 0 18 1 4576.58 5847.88 929.40 o 1 18 1 1498.88 1768.59 622.37 o -8 0 2 6592.93 7536.68 1095.51 o -7 0 2 904.35 802.68 287.88 o -6 0 2 13279.68 13985.07 1010.94 o -5 0 2 23595.08 24164.53 1248.80 o -4 0 2 1735.03 2029.71 386.54 o -3 0 2 32880.44 34622.38 1297.58 o -2 0 2 2038.20 2279.38 191.79 o -1 0 2 9867.27 10637.33 316.71 o 0 0 2 127489.57 137411.53 3074.59 o 2 0 2 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59.70 o 3 2 2 5740.01 6163.70 321.33 o 4 2 2 66.60 -30.68 101.81 o 5 2 2 2351.41 2565.30 310.66 o 6 2 2 756.11 723.33 241.19 o 7 2 2 248.68 133.99 235.62 o 8 2 2 179.93 -337.76 389.70 o -8 3 2 253.56 97.33 246.51 o -7 3 2 263.01 17.54 179.83 o -6 3 2 252.88 117.77 103.72 o -5 3 2 432.14 418.42 114.22 o -4 3 2 3257.15 3099.83 209.24 o -3 3 2 38.10 79.39 65.12 o -2 3 2 11503.09 12004.44 267.06 o -1 3 2 7388.23 7696.29 172.24 o 0 3 2 844.44 909.36 83.19 o 1 3 2 39.52 36.69 48.72 o 2 3 2 43.49 6.56 51.50 o 3 3 2 716.30 739.85 127.10 o 4 3 2 246.01 272.58 110.31 o 5 3 2 502.03 461.20 176.67 o 6 3 2 1045.55 1085.53 228.78 o 7 3 2 23.39 -127.33 159.57 o 8 3 2 9.88 -155.63 271.52 o -8 4 2 3355.39 3254.60 531.24 o -7 4 2 182.12 229.92 222.56 o -6 4 2 3895.76 3900.55 320.13 o -5 4 2 7028.38 6567.57 375.08 o -4 4 2 181.24 144.44 95.24 o -3 4 2 22589.38 22606.56 596.38 o -2 4 2 9552.32 9491.74 321.94 o -1 4 2 1780.20 1496.48 93.08 o 0 4 2 27011.24 26845.44 427.79 o 1 4 2 335.12 318.45 79.26 o 2 4 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