#------------------------------------------------------------------------------ #$Date: 2011-02-15 17:23:33 +0200 (Tue, 15 Feb 2011) $ #$Revision: 11387 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2228208.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_2228208_Fobs loop_ _publ_author_name 'Gueye, Ndongo' 'Diop, Libasse' 'Molloy, K. C. Kieran' 'Kociok-K\"ohn, Gabrielle' _publ_section_title ; Bis(dicyclohexylammonium) \m-oxalato-\k^4^O^1^,O^2^:O^1'^,O^2'^-bis[aqua(oxalato-\k^2^O^1^,O^2^)diphenylstannate(IV)] ; _journal_coeditor_code BH2310 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1645 _journal_page_last m1646 _journal_volume 66 _journal_year 2010 _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 100.869 _cell_angle_gamma 90.000 _cell_length_a 13.1725 _cell_length_b 14.6121 _cell_length_c 14.1139 _exptl_crystal_F_000 1244.00 _reflns_d_resolution_high 0.7696 _[local]_cod_data_source_file bh2310Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' h10kcm9' _shelx_refln_list_code 4 _shelx_f_calc_maximum 357.43 _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 4 0 0 13188.24 12248.25 281.17 o 6 0 0 2019.64 2194.22 107.41 o 8 0 0 68.16 25.94 80.75 o 10 0 0 7147.13 7296.23 254.22 o 12 0 0 6673.88 7631.61 240.04 o 14 0 0 1588.24 2035.30 128.60 o 16 0 0 1646.17 1525.78 674.11 o 3 1 0 50.13 443.37 80.73 o 4 1 0 1559.37 1668.92 45.13 o 5 1 0 17805.12 16396.66 259.14 o 6 1 0 11860.82 12940.01 183.48 o 7 1 0 17505.63 17589.65 252.72 o 8 1 0 1270.72 1197.75 65.39 o 9 1 0 4626.73 4659.83 124.51 o 10 1 0 372.85 406.74 82.07 o 11 1 0 28.57 -86.52 90.71 o 12 1 0 246.94 191.03 107.27 o 13 1 0 766.14 832.49 64.35 o 14 1 0 38.96 162.70 64.92 o 15 1 0 1346.34 1188.88 171.22 o 16 1 0 72.61 -252.91 275.68 o 2 2 0 7157.44 5385.76 451.86 o 3 2 0 2408.58 2305.52 73.76 o 4 2 0 6452.49 6435.31 99.05 o 5 2 0 196.98 216.28 44.88 o 6 2 0 33.32 -20.78 34.43 o 7 2 0 91.51 95.96 41.56 o 8 2 0 2622.44 2603.56 102.55 o 9 2 0 631.62 691.81 60.55 o 10 2 0 6901.20 6616.10 193.27 o 11 2 0 65.03 -73.51 74.56 o 12 2 0 7078.18 7020.03 218.89 o 13 2 0 1111.83 1249.32 137.53 o 14 2 0 2508.59 2404.97 167.85 o 15 2 0 42.82 -51.11 139.16 o 16 2 0 1235.13 931.69 228.19 o 1 3 0 26393.60 23898.26 470.86 o 2 3 0 3417.58 3672.08 89.23 o 3 3 0 8259.94 7823.47 134.70 o 4 3 0 2429.94 2491.81 87.86 o 5 3 0 15894.23 15186.94 252.94 o 6 3 0 4082.83 4176.51 102.87 o 7 3 0 10888.44 10304.71 194.49 o 8 3 0 160.77 174.31 80.76 o 9 3 0 9234.50 9484.10 207.43 o 10 3 0 27.83 64.65 81.36 o 11 3 0 220.46 248.23 89.23 o 12 3 0 884.15 902.63 97.44 o 13 3 0 193.37 273.60 117.42 o 14 3 0 160.42 191.41 131.44 o 15 3 0 866.62 482.66 267.32 o 16 3 0 71.75 13.13 272.99 o 0 4 0 9684.54 9259.32 140.88 o 1 4 0 18993.67 19149.91 206.45 o 2 4 0 9375.17 8739.65 112.67 o 3 4 0 1668.25 1666.21 58.16 o 4 4 0 4410.90 4187.38 80.28 o 5 4 0 1.32 41.19 53.68 o 6 4 0 1487.02 1534.73 84.47 o 7 4 0 256.33 347.99 98.17 o 8 4 0 41.40 100.76 70.46 o 9 4 0 1140.32 1155.15 78.72 o 10 4 0 7543.49 7638.95 175.04 o 11 4 0 219.86 193.63 83.72 o 12 4 0 5618.11 5641.43 173.08 o 13 4 0 3390.57 3330.70 186.43 o 14 4 0 1420.00 1608.66 215.98 o 15 4 0 222.62 318.23 212.55 o 16 4 0 623.74 347.26 288.35 o 1 5 0 3039.99 3305.18 57.94 o 2 5 0 3594.33 3815.65 73.53 o 3 5 0 19347.29 19323.25 231.32 o 4 5 0 59.07 138.81 41.24 o 5 5 0 16156.16 16217.43 217.95 o 6 5 0 3231.50 2959.45 74.79 o 7 5 0 6990.81 6748.87 120.36 o 8 5 0 769.60 784.35 58.58 o 9 5 0 2492.56 2631.96 85.33 o 10 5 0 160.71 157.31 99.04 o 11 5 0 657.64 449.48 117.49 o 12 5 0 223.61 207.39 103.76 o 13 5 0 5.95 36.40 143.05 o 14 5 0 454.34 43.26 224.06 o 15 5 0 731.76 374.56 219.67 o 16 5 0 174.30 185.53 261.91 o 0 6 0 7869.98 7623.27 133.74 o 1 6 0 12180.39 12005.08 139.05 o 2 6 0 30803.37 31021.09 303.70 o 3 6 0 18167.15 18593.59 206.58 o 4 6 0 6727.02 6618.40 110.37 o 5 6 0 4.80 28.89 40.36 o 6 6 0 123.28 110.05 41.17 o 7 6 0 0.87 -37.55 42.86 o 8 6 0 1602.00 1613.02 76.42 o 9 6 0 435.75 505.63 92.51 o 10 6 0 3450.35 3512.08 130.98 o 11 6 0 330.21 405.99 95.60 o 12 6 0 1992.41 1926.06 141.52 o 13 6 0 2350.37 2284.56 222.29 o 14 6 0 1329.58 1245.76 216.66 o 15 6 0 367.93 355.65 220.92 o 1 7 0 1204.56 1269.71 68.63 o 2 7 0 9633.78 9846.68 135.52 o 3 7 0 6813.04 6739.62 146.71 o 4 7 0 1530.47 1474.68 56.29 o 5 7 0 7652.77 7483.81 127.55 o 6 7 0 2460.68 2364.87 77.03 o 7 7 0 4951.65 4905.44 116.14 o 8 7 0 2128.36 2225.88 85.52 o 9 7 0 7731.02 7577.75 174.90 o 10 7 0 180.95 127.12 101.29 o 11 7 0 267.81 275.18 120.65 o 12 7 0 882.84 837.54 129.78 o 13 7 0 866.56 572.64 136.60 o 14 7 0 199.30 12.38 180.78 o 15 7 0 908.23 725.20 302.71 o 0 8 0 2484.88 2229.41 70.61 o 1 8 0 14446.19 14377.71 223.20 o 2 8 0 15411.93 16328.10 204.83 o 3 8 0 12722.51 12926.41 170.82 o 4 8 0 1387.69 1329.42 62.21 o 5 8 0 506.99 571.87 51.04 o 6 8 0 7.93 -4.00 46.49 o 7 8 0 10.85 116.30 75.16 o 8 8 0 1515.59 1553.86 83.39 o 9 8 0 751.27 790.48 79.96 o 10 8 0 111.40 125.53 87.78 o 11 8 0 2756.51 2861.74 160.09 o 12 8 0 1597.48 1755.85 160.64 o 13 8 0 964.96 967.53 187.86 o 14 8 0 2198.58 1594.12 214.50 o 15 8 0 1173.68 866.82 221.53 o 1 9 0 272.19 291.14 39.76 o 2 9 0 2954.23 2815.72 87.05 o 3 9 0 2408.68 2556.55 81.84 o 4 9 0 2250.17 2478.93 69.42 o 5 9 0 2824.55 2789.39 84.96 o 6 9 0 5312.42 5336.44 108.99 o 7 9 0 5640.35 5904.63 147.45 o 8 9 0 5812.31 5864.94 127.17 o 9 9 0 205.38 134.77 85.12 o 10 9 0 2627.58 2516.50 129.52 o 11 9 0 158.45 54.48 132.06 o 12 9 0 145.84 199.28 132.05 o 13 9 0 329.40 218.26 169.45 o 14 9 0 51.02 -49.19 208.81 o 0 10 0 5750.58 5675.54 137.25 o 1 10 0 7277.75 7764.82 136.46 o 2 10 0 476.81 469.64 55.17 o 3 10 0 641.78 603.24 65.50 o 4 10 0 6.44 15.63 58.88 o 5 10 0 112.55 43.10 56.48 o 6 10 0 615.56 651.65 78.02 o 7 10 0 438.62 398.74 65.55 o 8 10 0 317.76 359.59 69.29 o 9 10 0 3201.58 3225.24 125.51 o 10 10 0 1989.27 1958.36 138.56 o 11 10 0 3195.46 3122.92 152.36 o 12 10 0 1250.04 1591.43 213.61 o 13 10 0 1428.23 1094.24 206.71 o 14 10 0 180.69 335.32 214.55 o 1 11 0 2981.01 2989.61 74.70 o 2 11 0 3409.13 3328.12 100.29 o 3 11 0 1765.39 1919.35 87.33 o 4 11 0 3029.91 2919.00 101.42 o 5 11 0 1612.43 1554.56 80.92 o 6 11 0 5208.17 5309.04 133.30 o 7 11 0 2155.38 2348.92 127.72 o 8 11 0 5561.99 5610.83 136.80 o 9 11 0 605.96 489.71 90.88 o 10 11 0 2733.99 3023.01 177.60 o 11 11 0 454.77 481.61 202.20 o 12 11 0 89.36 -102.39 201.30 o 13 11 0 60.99 -186.16 221.93 o 0 12 0 237.94 324.62 92.24 o 1 12 0 10649.28 11030.57 202.42 o 2 12 0 225.99 244.15 59.31 o 3 12 0 2026.40 1983.77 102.02 o 4 12 0 1.95 66.60 70.41 o 5 12 0 751.21 579.19 85.77 o 6 12 0 245.50 222.55 75.05 o 7 12 0 444.77 388.57 77.61 o 8 12 0 1191.84 1158.41 108.42 o 9 12 0 421.27 418.63 97.18 o 10 12 0 120.89 106.11 154.25 o 11 12 0 1122.87 1358.13 184.87 o 12 12 0 353.73 207.78 297.76 o 13 12 0 826.75 765.84 222.21 o 1 13 0 2464.38 2639.25 91.02 o 2 13 0 1168.95 1218.05 89.91 o 3 13 0 954.00 814.76 79.75 o 4 13 0 3289.75 3123.06 121.91 o 5 13 0 288.29 321.12 93.38 o 6 13 0 6995.69 7023.44 162.40 o 7 13 0 254.32 167.79 92.35 o 8 13 0 3277.32 3235.66 153.28 o 9 13 0 797.46 581.06 147.41 o 10 13 0 328.85 185.28 181.72 o 11 13 0 8.75 35.68 195.66 o 12 13 0 32.84 -26.03 244.88 o 0 14 0 4.71 -86.53 97.27 o 1 14 0 5887.79 6151.89 132.33 o 2 14 0 168.47 349.43 82.75 o 3 14 0 2264.89 2304.43 125.84 o 4 14 0 0.18 -85.16 85.16 o 5 14 0 527.04 435.67 119.72 o 6 14 0 2.31 -126.16 127.28 o 7 14 0 14.09 72.32 120.24 o 8 14 0 39.68 -139.16 193.57 o 9 14 0 429.11 520.77 246.45 o 10 14 0 645.05 681.15 188.37 o 11 14 0 2394.25 2239.66 276.62 o 1 15 0 141.32 83.37 85.06 o 2 15 0 493.75 331.82 101.83 o 3 15 0 17.85 231.50 103.70 o 4 15 0 3726.77 3936.82 172.88 o 5 15 0 32.59 -67.18 111.20 o 6 15 0 3991.86 4057.46 205.98 o 7 15 0 48.76 201.48 153.72 o 8 15 0 784.65 752.27 194.36 o 9 15 0 2.21 -172.95 172.95 o 10 15 0 326.61 124.84 204.56 o 0 16 0 1.27 -19.35 149.23 o 1 16 0 2584.12 3045.70 180.49 o 2 16 0 234.92 241.06 106.07 o 3 16 0 1616.10 1455.24 132.64 o 4 16 0 65.79 208.45 113.84 o 5 16 0 397.26 565.93 154.38 o 6 16 0 58.36 60.53 178.52 o 7 16 0 473.92 429.90 233.27 o 8 16 0 7.23 -29.29 205.72 o 9 16 0 610.35 1029.33 347.78 o 1 17 0 86.10 180.58 158.31 o 2 17 0 485.55 519.09 168.95 o 3 17 0 9.84 219.80 167.31 o 4 17 0 3949.72 4153.82 345.74 o 5 17 0 85.11 -28.58 152.62 o 6 17 0 2227.54 2319.22 256.54 o 7 17 0 645.97 225.08 238.16 o 0 18 0 81.06 8.18 599.56 o 1 18 0 1497.22 1583.80 234.61 o 2 18 0 45.62 74.38 187.57 o 3 18 0 887.48 737.73 234.24 o 4 18 0 95.06 162.08 218.27 o 5 18 0 200.60 94.98 307.15 o -15 0 1 1765.02 1440.00 306.23 o -13 0 1 2522.45 2518.07 242.68 o -11 0 1 3960.79 3869.65 172.59 o -9 0 1 46.83 81.68 88.98 o -7 0 1 2848.42 2685.81 106.29 o -5 0 1 7649.10 6389.08 151.28 o -3 0 1 3572.04 3556.14 172.72 o 3 0 1 554.33 1046.83 87.42 o 5 0 1 5162.74 4516.52 136.10 o 7 0 1 1111.99 828.41 95.62 o 9 0 1 3774.49 3557.29 179.53 o 11 0 1 3414.94 3194.78 207.69 o 13 0 1 2429.54 2592.14 299.12 o 15 0 1 17.80 94.37 292.73 o -16 1 1 84.69 -253.13 253.13 o -15 1 1 31.42 261.37 207.84 o -14 1 1 106.18 192.87 88.93 o -13 1 1 231.63 101.67 108.54 o -12 1 1 2251.96 2274.73 82.14 o -11 1 1 154.46 184.49 49.88 o -10 1 1 8099.28 8175.64 207.38 o -9 1 1 342.63 344.19 62.98 o -8 1 1 20074.21 19685.81 269.49 o -7 1 1 214.69 234.45 47.73 o -6 1 1 2048.83 1945.79 53.08 o -5 1 1 4742.37 5032.04 116.41 o -4 1 1 1225.61 1233.39 47.49 o -3 1 1 3733.47 4075.95 123.02 o 3 1 1 49.77 198.28 33.19 o 4 1 1 11315.09 10689.67 185.98 o 5 1 1 5412.94 5651.32 98.63 o 6 1 1 30980.52 31646.64 410.59 o 7 1 1 886.78 979.33 68.74 o 8 1 1 7448.40 7450.43 142.93 o 9 1 1 172.23 178.01 73.86 o 10 1 1 1521.79 1676.39 100.48 o 11 1 1 64.45 2.33 68.60 o 12 1 1 2056.43 2066.42 102.89 o 13 1 1 45.26 101.40 88.06 o 14 1 1 7373.48 7567.52 264.26 o 15 1 1 1.52 -103.28 202.68 o 16 1 1 681.17 83.21 244.19 o -16 2 1 15.39 -166.71 260.26 o -15 2 1 2634.94 2747.68 184.76 o -14 2 1 323.08 295.85 123.55 o -13 2 1 2818.69 2921.86 175.38 o -12 2 1 33.95 190.33 82.63 o -11 2 1 3026.18 3148.26 138.47 o -10 2 1 23.91 -25.08 68.51 o -9 2 1 65.43 101.36 76.20 o -8 2 1 1050.73 1362.60 72.04 o -7 2 1 4164.13 4126.31 92.90 o -6 2 1 133.77 150.55 54.85 o -5 2 1 9990.46 9470.38 160.79 o -4 2 1 5310.13 5007.17 82.07 o -3 2 1 6239.19 5690.25 81.77 o -2 2 1 1107.53 1091.14 73.36 o 2 2 1 9282.14 10184.55 223.78 o 3 2 1 3539.16 3507.87 62.49 o 4 2 1 2563.99 2478.70 110.10 o 5 2 1 4481.74 4359.60 83.67 o 6 2 1 4.68 46.77 42.62 o 7 2 1 15973.48 15508.13 246.54 o 8 2 1 177.27 209.62 52.90 o 9 2 1 8214.66 8248.94 173.01 o 10 2 1 6.21 32.51 86.38 o 11 2 1 4718.55 4490.40 159.85 o 12 2 1 508.24 577.61 108.55 o 13 2 1 2097.03 2196.78 149.66 o 14 2 1 51.02 159.25 124.51 o 15 2 1 110.29 206.59 157.42 o 16 2 1 31.09 458.82 264.47 o -16 3 1 98.21 29.62 225.83 o -15 3 1 32.02 -35.30 307.27 o -14 3 1 3.52 -102.56 102.56 o -13 3 1 525.13 539.42 133.03 o -12 3 1 1777.39 1795.41 131.83 o -11 3 1 749.59 767.41 90.79 o -10 3 1 8402.78 8499.69 201.82 o -9 3 1 339.93 310.30 71.01 o -8 3 1 14624.82 14882.60 258.30 o -7 3 1 2811.06 2639.11 87.76 o -6 3 1 7591.59 7288.89 124.65 o -5 3 1 1115.20 1160.26 56.39 o -4 3 1 3662.44 3474.66 69.73 o -3 3 1 9.80 34.57 22.01 o -2 3 1 10323.47 10608.46 119.81 o -1 3 1 2825.42 3168.00 64.45 o 0 3 1 55788.27 48397.76 1252.54 o 1 3 1 24234.33 24202.56 464.71 o 2 3 1 32218.97 31534.44 380.53 o 3 3 1 770.47 910.81 52.74 o 4 3 1 29169.85 27931.30 349.45 o 5 3 1 10323.59 10708.69 158.87 o 6 3 1 756.23 642.77 75.93 o 7 3 1 2689.20 2833.33 133.52 o 8 3 1 1562.20 1668.87 97.69 o 9 3 1 121.54 79.86 59.37 o 10 3 1 1367.38 1401.82 84.92 o 11 3 1 3.61 9.27 90.20 o 12 3 1 1991.17 1884.29 150.52 o 13 3 1 924.88 839.18 130.43 o 14 3 1 4036.01 3721.63 267.54 o 15 3 1 2.64 -77.89 161.12 o 16 3 1 1161.25 768.02 614.35 o -16 4 1 59.13 355.04 328.66 o -15 4 1 2158.72 2071.83 267.20 o -14 4 1 1314.16 1263.86 190.69 o -13 4 1 3459.49 3913.46 190.19 o -12 4 1 164.93 259.91 104.65 o -11 4 1 2374.70 2312.98 119.75 o -10 4 1 580.39 528.91 87.63 o -9 4 1 2.48 34.05 71.84 o -8 4 1 663.22 667.00 64.41 o -7 4 1 2228.54 2083.90 79.89 o -6 4 1 45.50 46.53 30.93 o -5 4 1 5726.93 5403.25 91.89 o -4 4 1 570.64 541.65 44.13 o -3 4 1 9374.03 8897.46 123.74 o -2 4 1 419.88 492.61 33.10 o -1 4 1 16626.54 15331.23 170.55 o 0 4 1 1422.32 1493.97 55.79 o 1 4 1 393.48 418.64 24.93 o 2 4 1 3.15 -13.74 37.99 o 3 4 1 1274.19 1254.50 43.00 o 4 4 1 3581.94 3794.16 114.72 o 5 4 1 8570.02 8514.53 130.07 o 6 4 1 8725.13 9583.07 160.35 o 7 4 1 3168.89 3061.32 142.18 o 8 4 1 76.18 65.22 57.68 o 9 4 1 15521.08 15821.70 258.39 o 10 4 1 25.18 96.04 104.81 o 11 4 1 6510.80 6719.95 250.10 o 12 4 1 975.20 636.94 158.11 o 13 4 1 510.24 727.69 167.13 o 14 4 1 181.47 23.02 144.53 o 15 4 1 48.64 155.69 246.23 o 16 4 1 56.62 -248.85 248.85 o -16 5 1 29.75 41.33 216.42 o -15 5 1 0.41 -62.09 238.43 o -14 5 1 375.57 419.55 155.53 o -13 5 1 9.76 161.21 121.36 o -12 5 1 2396.26 2531.06 131.99 o -11 5 1 1411.65 1278.79 104.48 o -10 5 1 2950.74 2868.21 115.42 o -9 5 1 2058.28 2042.00 104.40 o -8 5 1 9802.69 9569.36 205.72 o -7 5 1 4137.37 4065.59 125.98 o -6 5 1 10922.82 11228.18 232.72 o -5 5 1 767.38 765.58 47.73 o -4 5 1 1818.24 1740.12 52.23 o -3 5 1 2909.88 3157.32 67.81 o -2 5 1 24553.78 24229.69 244.72 o -1 5 1 326.61 296.54 27.89 o 0 5 1 54.14 14.98 22.08 o 1 5 1 8365.07 8209.40 96.44 o 2 5 1 33832.33 32951.15 382.05 o 3 5 1 5209.61 5351.09 90.08 o 4 5 1 37464.55 37315.42 433.42 o 5 5 1 4166.75 4289.96 100.20 o 6 5 1 6884.44 6690.09 182.37 o 7 5 1 621.77 611.27 56.71 o 8 5 1 2303.75 2270.08 86.70 o 9 5 1 3.79 23.20 64.92 o 10 5 1 113.69 158.50 64.03 o 11 5 1 2161.51 2042.52 115.76 o 12 5 1 1173.69 1175.52 124.70 o 13 5 1 1922.58 1539.06 160.09 o 14 5 1 1600.65 1557.15 205.37 o 15 5 1 615.78 344.33 320.04 o 16 5 1 2787.51 2629.47 289.15 o -16 6 1 514.79 397.40 280.13 o -15 6 1 1785.61 2124.92 267.75 o -14 6 1 2321.94 2080.73 198.85 o -13 6 1 2051.22 2026.17 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