#------------------------------------------------------------------------------ #$Date: 2016-04-03 01:35:55 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181075 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/55/2215543.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_2215543_Fobs loop_ _publ_author_name 'Yousefi, Mohammad' 'Teimouri, Shabahang' 'Amani, Vahid' 'Khavasi, Hamid Reza' _publ_section_title ; 1,10-Diazonia-18-crown-6 hexachloridoplatinate(IV) dihydrate ; _journal_coeditor_code HK2322 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m2460 _journal_page_last m2461 _journal_volume 63 _journal_year 2007 _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 112.384 _cell_angle_gamma 90.000 _cell_length_a 9.3668 _cell_length_b 12.5688 _cell_length_c 10.9546 _exptl_crystal_F_000 2340.00 _reflns_d_resolution_high 0.7268 _cod_data_source_file hk2322Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' W6' _shelx_refln_list_code 4 _shelx_f_calc_maximum 185.54 _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 1 0 0 18290.85 18472.79 249.72 o 2 0 0 18443.34 16919.47 93.41 o 4 0 0 26254.82 25612.58 810.55 o 5 0 0 12269.28 11894.32 216.70 o 6 0 0 2103.33 2016.46 21.14 o 7 0 0 4483.32 4541.53 131.53 o 8 0 0 2861.72 2873.39 80.54 o 9 0 0 359.98 382.83 25.39 o 10 0 0 435.77 413.66 37.80 o 11 0 0 686.54 718.20 57.45 o 1 1 0 442.10 392.79 22.91 o 2 1 0 312.23 328.23 15.74 o 3 1 0 654.07 597.14 12.22 o 4 1 0 0.18 3.34 9.68 o 5 1 0 0.04 10.39 8.97 o 6 1 0 14.82 9.87 9.55 o 7 1 0 3.44 20.07 7.57 o 8 1 0 7.09 38.29 14.41 o 9 1 0 2.36 14.28 20.60 o 10 1 0 1.65 2.83 8.31 o 11 1 0 4.48 -0.11 8.55 o 1 2 0 28458.12 27588.92 87.00 o 2 2 0 1522.68 1458.75 26.71 o 3 2 0 18353.34 18499.99 148.41 o 4 2 0 17807.15 17440.72 133.36 o 5 2 0 6815.82 6477.47 75.26 o 6 2 0 3637.53 3617.74 83.30 o 7 2 0 4996.77 4991.20 83.59 o 8 2 0 4752.33 4818.83 80.02 o 9 2 0 1406.30 1406.72 28.24 o 10 2 0 880.09 925.59 18.14 o 11 2 0 1126.03 1161.19 17.40 o 1 3 0 422.50 380.91 21.97 o 2 3 0 303.64 284.08 12.33 o 3 3 0 711.80 666.58 13.09 o 4 3 0 18.20 22.76 10.89 o 5 3 0 271.89 262.04 8.57 o 6 3 0 168.27 157.20 16.15 o 7 3 0 13.46 14.74 9.38 o 8 3 0 40.46 49.25 9.91 o 9 3 0 57.86 37.36 11.39 o 10 3 0 6.57 4.13 17.06 o 11 3 0 4.73 13.63 20.22 o 0 4 0 7862.62 7907.20 68.19 o 1 4 0 952.99 871.22 28.18 o 2 4 0 206.26 240.39 14.12 o 3 4 0 5987.74 6168.52 69.67 o 4 4 0 11417.22 11180.06 127.79 o 5 4 0 4662.12 4341.07 15.15 o 6 4 0 2892.62 2995.25 39.75 o 7 4 0 6580.69 6567.33 88.31 o 8 4 0 7053.71 6890.08 112.09 o 9 4 0 2111.77 2130.48 43.54 o 10 4 0 1440.90 1565.02 24.64 o 11 4 0 1575.40 1552.34 28.81 o 1 5 0 67.07 22.41 22.73 o 2 5 0 4.46 17.47 12.05 o 3 5 0 527.40 572.08 12.36 o 4 5 0 10.12 25.42 8.35 o 5 5 0 29.96 73.26 12.98 o 6 5 0 1052.21 991.05 13.38 o 7 5 0 6.02 48.25 19.02 o 8 5 0 68.65 85.36 14.76 o 9 5 0 63.44 60.72 9.30 o 10 5 0 22.26 36.32 23.27 o 11 5 0 67.05 74.07 8.96 o 0 6 0 22376.46 21964.76 85.02 o 1 6 0 12630.80 12660.43 57.99 o 2 6 0 8386.25 7946.11 151.89 o 3 6 0 10143.84 10326.62 122.81 o 4 6 0 11941.63 12021.50 36.90 o 5 6 0 6579.34 6316.53 124.02 o 6 6 0 1687.13 1752.63 32.85 o 7 6 0 3651.07 3654.70 70.17 o 8 6 0 3554.57 3427.30 36.68 o 9 6 0 1029.23 1021.19 37.66 o 10 6 0 513.39 544.68 11.21 o 11 6 0 806.04 831.42 28.26 o 1 7 0 3.47 -22.72 25.81 o 2 7 0 3.59 19.32 12.89 o 3 7 0 6.80 -9.03 10.67 o 4 7 0 225.48 237.69 15.80 o 5 7 0 84.91 79.18 25.53 o 6 7 0 1.29 -2.16 8.54 o 7 7 0 3.28 7.64 10.86 o 8 7 0 13.79 -7.87 7.87 o 9 7 0 1.32 9.93 18.06 o 10 7 0 1.83 -1.39 15.49 o 0 8 0 22484.81 22480.51 76.70 o 1 8 0 15849.32 15653.49 61.05 o 2 8 0 10934.51 10344.04 133.30 o 3 8 0 7619.92 7812.46 95.36 o 4 8 0 10623.24 10517.87 185.82 o 5 8 0 3595.16 3450.49 46.51 o 6 8 0 1522.72 1539.24 57.38 o 7 8 0 1668.07 1703.79 38.23 o 8 8 0 1139.36 1119.37 30.18 o 9 8 0 453.44 405.38 10.53 o 10 8 0 169.58 192.11 13.53 o 1 9 0 41.33 68.06 17.16 o 2 9 0 96.40 101.39 16.44 o 3 9 0 69.88 91.04 12.54 o 4 9 0 23.68 37.56 11.71 o 5 9 0 13.14 15.88 14.15 o 6 9 0 3.75 -12.16 15.07 o 7 9 0 1.37 8.01 9.56 o 8 9 0 28.10 63.69 28.69 o 9 9 0 3.82 4.44 13.95 o 10 9 0 6.51 11.79 8.98 o 0 10 0 3574.20 3559.53 35.04 o 1 10 0 4808.83 4619.96 27.11 o 2 10 0 1059.20 1019.10 21.79 o 3 10 0 3345.38 3399.17 19.52 o 4 10 0 4398.51 4440.11 103.30 o 5 10 0 1752.85 1681.72 26.55 o 6 10 0 1236.77 1289.15 13.60 o 7 10 0 1687.81 1738.90 16.33 o 8 10 0 1592.12 1521.04 12.24 o 9 10 0 596.19 537.11 19.05 o 1 11 0 30.62 29.07 15.72 o 2 11 0 11.95 39.81 13.42 o 3 11 0 280.07 259.00 21.30 o 4 11 0 353.38 346.78 12.05 o 5 11 0 84.49 109.30 15.32 o 6 11 0 281.33 277.22 14.16 o 7 11 0 218.38 193.72 17.78 o 8 11 0 132.74 108.02 10.43 o 9 11 0 76.92 80.03 20.89 o 0 12 0 1840.38 1808.10 29.25 o 1 12 0 996.86 1018.95 80.94 o 2 12 0 1007.47 1017.31 24.45 o 3 12 0 1372.86 1478.74 15.18 o 4 12 0 2315.82 2389.24 46.14 o 5 12 0 1381.43 1334.39 30.46 o 6 12 0 1065.70 1072.54 14.41 o 7 12 0 1540.26 1606.81 47.55 o 8 12 0 1269.26 1226.36 23.06 o 1 13 0 1.59 67.55 14.99 o 2 13 0 80.93 89.09 10.10 o 3 13 0 0.67 8.96 24.93 o 4 13 0 178.23 187.18 13.93 o 5 13 0 72.00 53.77 38.89 o 6 13 0 24.10 35.08 22.85 o 7 13 0 124.66 126.18 9.60 o 0 14 0 2550.62 2496.48 31.67 o 1 14 0 1971.24 1971.24 28.68 o 2 14 0 1089.55 1058.20 48.44 o 3 14 0 1645.99 1660.00 49.50 o 4 14 0 1813.62 1834.50 56.12 o 5 14 0 670.58 577.71 23.98 o 6 14 0 491.58 506.53 14.89 o 1 15 0 0.23 -15.27 22.91 o 2 15 0 11.12 23.15 13.42 o 3 15 0 1.60 9.68 21.93 o 4 15 0 18.78 99.26 54.34 o 5 15 0 3.01 55.44 13.70 o 0 16 0 1417.12 1410.89 28.31 o 1 16 0 1055.64 1071.90 13.54 o 2 16 0 687.17 696.03 20.69 o 3 16 0 733.54 734.75 27.77 o 4 16 0 804.91 781.47 14.40 o 1 17 0 0.36 -12.22 12.22 o -12 1 1 762.27 761.36 20.33 o -11 1 1 1009.96 992.22 31.70 o -10 1 1 383.18 372.54 22.98 o -9 1 1 2495.61 2536.96 41.63 o -8 1 1 7250.11 7095.14 160.02 o -7 1 1 6337.20 6300.30 83.15 o -6 1 1 9291.37 9151.17 201.74 o -5 1 1 11838.20 11437.54 197.00 o -2 1 1 32926.61 33584.05 101.95 o 2 1 1 12289.75 11713.64 106.85 o 3 1 1 8423.60 8137.45 105.82 o 4 1 1 14569.79 14603.59 163.13 o 5 1 1 2317.09 2355.32 37.59 o 6 1 1 645.36 620.24 13.68 o 7 1 1 3976.94 4093.24 25.47 o 8 1 1 2124.94 2178.35 31.10 o 9 1 1 569.64 592.23 31.00 o 10 1 1 474.76 469.34 13.87 o 11 1 1 817.73 831.95 23.19 o -12 2 1 14.06 38.91 8.79 o -11 2 1 21.72 34.54 8.96 o -10 2 1 0.63 11.91 15.89 o -9 2 1 41.51 37.63 8.18 o -8 2 1 55.94 80.58 12.97 o -7 2 1 108.93 125.78 14.27 o -6 2 1 8.70 18.52 7.50 o -5 2 1 59.89 58.34 8.57 o -4 2 1 16.64 23.48 9.98 o -3 2 1 236.50 240.72 11.64 o -2 2 1 171.80 196.95 14.80 o -1 2 1 46.48 41.84 23.84 o 1 2 1 3516.98 2979.57 25.02 o 2 2 1 21.40 32.27 13.48 o 3 2 1 2.61 1.57 9.90 o 4 2 1 0.94 15.19 11.38 o 5 2 1 35.97 48.77 7.56 o 6 2 1 0.25 -5.82 8.73 o 7 2 1 3.48 9.39 13.42 o 8 2 1 0.07 28.92 8.57 o 9 2 1 88.98 104.27 8.46 o 10 2 1 5.83 29.39 17.97 o 11 2 1 1.24 -4.10 18.87 o -11 3 1 1447.84 1455.30 50.43 o -10 3 1 862.49 828.54 18.43 o -9 3 1 1618.54 1737.57 47.73 o -8 3 1 4349.15 4324.89 118.12 o -7 3 1 3590.30 3439.65 72.90 o -6 3 1 687.81 685.41 17.31 o -5 3 1 3862.35 3988.23 28.55 o -4 3 1 5354.28 5379.29 33.79 o -3 3 1 7830.80 7284.15 117.31 o -2 3 1 674.81 702.90 16.81 o -1 3 1 6013.95 6016.12 65.53 o 0 3 1 29556.33 31460.79 121.06 o 1 3 1 5737.37 5474.63 169.29 o 2 3 1 10894.24 10024.45 30.41 o 3 3 1 12538.37 12253.08 153.05 o 4 3 1 23408.47 23074.22 506.27 o 5 3 1 10179.04 9848.25 206.80 o 6 3 1 5350.61 5197.21 104.63 o 7 3 1 8553.51 8372.96 149.43 o 8 3 1 5578.05 5839.71 85.52 o 9 3 1 1636.18 1616.56 24.04 o 10 3 1 1151.03 1125.25 21.47 o 11 3 1 1176.34 1163.02 41.57 o -11 4 1 21.81 1.25 8.75 o -10 4 1 27.40 39.36 11.56 o -9 4 1 62.95 62.96 17.31 o -8 4 1 34.38 28.97 11.87 o -7 4 1 204.63 181.23 7.22 o -6 4 1 1.67 3.99 7.41 o -5 4 1 1.49 7.41 7.54 o -4 4 1 427.97 455.10 9.50 o -3 4 1 636.74 680.25 14.90 o -2 4 1 5.14 14.78 13.15 o -1 4 1 2.85 23.72 23.24 o 0 4 1 2552.68 2871.96 85.42 o 1 4 1 454.20 453.66 15.17 o 2 4 1 960.06 911.07 26.34 o 3 4 1 734.53 766.03 11.34 o 4 4 1 169.41 133.03 9.86 o 5 4 1 143.51 149.99 9.51 o 6 4 1 0.64 -0.73 7.30 o 7 4 1 431.67 419.49 8.46 o 8 4 1 21.21 27.40 25.57 o 9 4 1 1.25 -13.47 22.59 o 10 4 1 36.93 59.07 8.94 o 11 4 1 6.69 53.51 11.13 o -11 5 1 1228.15 1197.88 51.09 o -10 5 1 834.47 845.84 31.50 o -9 5 1 1553.21 1628.84 27.51 o -8 5 1 3262.03 3291.00 32.48 o -7 5 1 3319.78 3202.75 43.64 o -6 5 1 1824.29 1826.35 19.77 o -5 5 1 2395.97 2502.95 33.17 o -4 5 1 10325.25 10078.69 136.56 o -3 5 1 2856.06 2810.65 26.70 o -2 5 1 970.78 1021.07 18.91 o -1 5 1 11877.78 11777.42 100.53 o 0 5 1 14665.85 15201.65 394.94 o 1 5 1 9459.41 9083.80 333.96 o 2 5 1 8388.97 8169.95 114.63 o 3 5 1 11282.24 10889.34 242.84 o 4 5 1 16137.06 16340.65 130.09 o 5 5 1 7188.89 7012.93 73.91 o 6 5 1 5854.16 5431.92 49.37 o 7 5 1 5750.79 5966.44 131.64 o 8 5 1 3738.73 3902.41 71.04 o 9 5 1 1636.41 1572.30 38.19 o 10 5 1 870.32 867.22 21.92 o -11 6 1 2.49 0.75 12.29 o -10 6 1 2.93 10.91 14.93 o -9 6 1 4.15 19.95 8.35 o -8 6 1 50.59 37.15 14.80 o -7 6 1 1.33 15.02 8.55 o -6 6 1 130.47 116.68 7.77 o -5 6 1 181.59 179.77 9.12 o -4 6 1 596.90 565.08 13.59 o -3 6 1 338.35 354.62 10.20 o -2 6 1 0.99 18.82 11.64 o -1 6 1 594.79 658.86 29.69 o 0 6 1 526.76 585.70 29.89 o 1 6 1 1092.25 941.24 24.96 o 2 6 1 10.31 22.56 18.87 o 3 6 1 13.14 22.85 12.34 o 4 6 1 86.72 103.67 16.33 o 5 6 1 79.11 77.49 7.54 o 6 6 1 21.36 38.85 7.67 o 7 6 1 147.52 131.39 8.05 o 8 6 1 129.27 138.75 9.49 o 9 6 1 32.49 2.79 19.86 o 10 6 1 69.11 73.35 15.66 o -11 7 1 640.25 621.76 34.32 o -10 7 1 444.71 423.09 9.98 o -9 7 1 886.04 918.75 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8 1 71.21 62.90 11.90 o 6 8 1 0.98 13.13 15.45 o 7 8 1 1.33 0.64 13.38 o 8 8 1 22.00 19.80 11.44 o 9 8 1 1.92 9.10 7.25 o 10 8 1 37.03 48.42 11.25 o -10 9 1 376.33 378.16 25.32 o -9 9 1 679.54 656.20 39.68 o -8 9 1 2303.56 2325.56 62.71 o -7 9 1 2859.27 2810.33 76.51 o -6 9 1 1379.31 1432.55 27.40 o -5 9 1 5085.59 4925.51 81.16 o -4 9 1 8578.41 8280.36 107.52 o -3 9 1 6577.19 6747.74 108.62 o -2 9 1 6205.71 6425.84 41.06 o -1 9 1 6111.14 5864.69 30.04 o 0 9 1 12548.25 11662.29 81.01 o 1 9 1 4056.40 4137.05 25.07 o 2 9 1 2464.86 2489.16 41.41 o 3 9 1 5393.01 5327.90 21.73 o 4 9 1 3135.71 3285.50 32.25 o 5 9 1 1108.46 1080.20 30.51 o 6 9 1 899.08 867.91 13.44 o 7 9 1 1184.67 1152.11 15.98 o 8 9 1 1224.94 1161.14 39.38 o 9 9 1 380.26 357.42 21.86 o -9 10 1 61.56 68.58 10.20 o -8 10 1 57.65 56.60 27.44 o -7 10 1 217.30 203.65 25.91 o -6 10 1 21.91 50.86 13.33 o -5 10 1 21.69 33.94 14.15 o -4 10 1 99.50 109.65 10.96 o -3 10 1 16.47 13.67 29.52 o -2 10 1 43.38 53.65 21.37 o -1 10 1 78.84 120.44 20.87 o 0 10 1 13.14 21.60 32.61 o 1 10 1 0.22 -4.02 16.50 o 2 10 1 429.17 460.23 20.77 o 3 10 1 0.77 -11.31 11.31 o 4 10 1 112.89 97.45 15.36 o 5 10 1 60.47 30.57 11.22 o 6 10 1 17.56 34.65 12.43 o 7 10 1 90.06 133.84 12.78 o 8 10 1 24.91 36.37 8.68 o 9 10 1 4.73 26.76 10.08 o -9 11 1 526.00 546.62 40.66 o -8 11 1 1277.23 1239.22 39.39 o -7 11 1 1172.30 1189.77 27.40 o -6 11 1 423.30 434.85 24.90 o -5 11 1 1158.28 1197.89 39.50 o -4 11 1 1659.76 1682.46 21.66 o -3 11 1 1565.02 1594.64 15.71 o -2 11 1 351.14 353.91 25.09 o -1 11 1 2074.03 1962.39 76.91 o 0 11 1 3819.62 3767.14 25.43 o 1 11 1 2137.01 2081.37 62.96 o 2 11 1 1722.57 1714.96 37.08 o 3 11 1 3967.10 4149.55 22.49 o 4 11 1 4673.82 4806.28 47.84 o 5 11 1 1932.05 1952.88 33.32 o 6 11 1 1891.07 1897.30 45.64 o 7 11 1 2035.31 2013.12 39.36 o 8 11 1 1396.93 1309.67 26.07 o -8 12 1 130.21 115.68 10.81 o -7 12 1 80.71 66.85 10.57 o -6 12 1 131.06 120.51 12.03 o -5 12 1 18.41 19.40 32.51 o -4 12 1 1.68 -16.23 17.00 o -3 12 1 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