#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2206939.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_2206939_Fobs loop_ _publ_author_name 'Bouacida, Sofiane' 'Merazig, Hocine' 'Beghidja, Adel' 'Beghidja, Chahrazed' _publ_section_title ; Bis(cytosinium) hexachlorostannate(IV) ; _journal_coeditor_code DN6241 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m2072 _journal_page_last m2074 _journal_volume 61 _journal_year 2005 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 101.855 _cell_angle_beta 98.356 _cell_angle_gamma 90.515 _cell_length_a 6.9100 _cell_length_b 7.0900 _cell_length_c 9.2701 _exptl_crystal_F_000 270.00 _reflns_d_resolution_high 0.7091 _[local]_cod_data_source_file dn6241Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' s15 in P -1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 134.27 _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, -z' 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 5426.23 5069.67 323.39 o 2 0 0 19.37 26.45 2.21 o 3 0 0 225.36 256.50 17.96 o 4 0 0 305.96 262.26 18.86 o 5 0 0 1356.44 1525.66 105.83 o 6 0 0 1140.48 1198.80 64.64 o 7 0 0 576.48 643.51 41.34 o 8 0 0 68.47 63.57 8.86 o 9 0 0 40.68 36.26 11.33 o -9 1 0 45.01 58.55 12.89 o -8 1 0 27.38 31.85 7.27 o -7 1 0 26.89 21.69 5.93 o -6 1 0 327.26 345.05 20.91 o -5 1 0 2347.03 2315.03 127.28 o -4 1 0 2444.72 2346.08 138.32 o -3 1 0 14.76 9.74 1.95 o -2 1 0 8.07 9.05 1.56 o -1 1 0 1500.45 1344.78 75.71 o 1 1 0 3987.39 3333.93 204.29 o 2 1 0 205.64 170.11 11.49 o 3 1 0 4590.10 4371.93 251.59 o 4 1 0 1775.01 1688.14 98.31 o 5 1 0 148.28 145.69 9.62 o 6 1 0 118.75 121.94 10.21 o 7 1 0 399.43 390.49 27.45 o 8 1 0 152.14 151.13 14.53 o 9 1 0 92.64 97.15 13.63 o -9 2 0 117.03 108.58 14.60 o -8 2 0 105.68 100.30 13.09 o -7 2 0 178.96 193.20 14.65 o -6 2 0 656.75 714.33 52.53 o -5 2 0 1003.71 1041.53 64.16 o -4 2 0 207.52 208.50 13.94 o -3 2 0 200.19 300.12 77.53 o -2 2 0 3432.46 3310.91 183.31 o -1 2 0 5782.60 5336.72 301.47 o 0 2 0 251.76 209.91 13.54 o 1 2 0 386.60 520.06 73.31 o 2 2 0 906.21 929.00 56.91 o 3 2 0 2369.85 2229.69 132.92 o 4 2 0 1922.17 1933.19 116.30 o 5 2 0 501.47 520.50 29.46 o 6 2 0 121.67 127.51 10.57 o 7 2 0 6.87 10.03 5.26 o 8 2 0 11.49 14.36 6.33 o 9 2 0 60.30 59.83 12.90 o -9 3 0 0.19 -1.38 13.44 o -8 3 0 69.76 63.24 10.90 o -7 3 0 498.15 518.74 37.30 o -6 3 0 1092.17 1146.70 55.94 o -5 3 0 587.18 584.16 40.30 o -4 3 0 115.22 109.64 8.77 o -3 3 0 73.90 76.08 5.47 o -2 3 0 3891.14 3776.21 206.96 o -1 3 0 7335.13 6755.32 372.28 o 0 3 0 1421.22 1382.94 95.50 o 1 3 0 916.54 870.97 47.90 o 2 3 0 275.21 261.65 14.06 o 3 3 0 203.70 204.62 12.37 o 4 3 0 567.81 542.66 34.22 o 5 3 0 1193.70 1191.61 69.97 o 6 3 0 973.86 1002.95 70.97 o 7 3 0 63.82 62.00 8.49 o 8 3 0 7.70 6.24 9.13 o 9 3 0 56.75 41.08 14.53 o -8 4 0 0.99 14.84 9.74 o -7 4 0 322.05 332.61 25.26 o -6 4 0 303.52 311.66 19.30 o -5 4 0 115.61 113.11 13.56 o -4 4 0 278.59 299.54 20.53 o -3 4 0 416.57 412.17 21.83 o -2 4 0 1542.93 1534.88 82.39 o -1 4 0 446.61 450.26 21.78 o 0 4 0 535.46 510.20 33.99 o 1 4 0 456.13 437.47 25.71 o 2 4 0 1468.18 1418.35 72.36 o 3 4 0 130.84 133.96 11.52 o 4 4 0 523.38 538.18 45.32 o 5 4 0 922.99 937.81 68.26 o 6 4 0 140.90 141.15 11.69 o 7 4 0 52.52 54.56 8.49 o 8 4 0 78.17 73.98 14.93 o -7 5 0 199.57 197.74 17.32 o -6 5 0 302.55 286.41 20.98 o -5 5 0 0.91 -0.52 4.69 o -4 5 0 264.47 256.50 17.26 o -3 5 0 1306.03 1320.95 62.36 o -2 5 0 499.39 487.03 26.73 o -1 5 0 310.32 294.64 17.52 o 0 5 0 358.93 381.05 20.27 o 1 5 0 602.15 610.02 31.64 o 2 5 0 202.89 200.52 13.11 o 3 5 0 931.69 937.93 63.21 o 4 5 0 349.15 355.01 22.14 o 5 5 0 214.36 217.37 15.72 o 6 5 0 0.39 -1.23 5.64 o 7 5 0 1.09 6.82 10.28 o 8 5 0 252.31 250.69 28.14 o -7 6 0 310.11 337.51 29.63 o -6 6 0 55.90 48.44 9.72 o -5 6 0 26.69 29.23 7.47 o -4 6 0 30.25 28.52 8.56 o -3 6 0 494.34 500.92 26.76 o -2 6 0 914.87 950.68 45.55 o -1 6 0 951.69 957.72 49.47 o 0 6 0 636.19 651.80 35.32 o 1 6 0 89.62 89.21 6.94 o 2 6 0 13.50 14.91 3.81 o 3 6 0 493.15 508.38 30.64 o 4 6 0 1274.75 1314.03 87.01 o 5 6 0 104.82 99.43 10.74 o 6 6 0 21.63 24.62 8.49 o 7 6 0 35.01 37.09 11.78 o -6 7 0 107.99 104.38 15.17 o -5 7 0 169.42 188.15 17.28 o -4 7 0 155.07 145.82 14.74 o -3 7 0 60.27 59.82 11.21 o -2 7 0 70.94 75.11 7.82 o -1 7 0 290.32 308.76 22.06 o 0 7 0 282.41 290.84 20.55 o 1 7 0 128.31 131.92 12.89 o 2 7 0 260.44 268.30 20.07 o 3 7 0 369.89 391.01 28.99 o 4 7 0 184.94 186.39 17.87 o 5 7 0 26.74 25.79 8.01 o 6 7 0 36.18 39.20 11.69 o -5 8 0 99.12 93.83 14.72 o -4 8 0 230.63 233.04 21.40 o -3 8 0 270.63 267.88 27.83 o -2 8 0 313.33 319.05 26.43 o -1 8 0 21.29 19.44 7.46 o 0 8 0 1.06 0.99 6.09 o 1 8 0 40.40 33.89 7.49 o 2 8 0 440.82 451.45 39.09 o 3 8 0 421.45 445.52 40.55 o 4 8 0 38.56 34.65 10.40 o 5 8 0 0.96 -6.07 8.72 o -4 9 0 32.78 15.29 14.62 o -3 9 0 146.08 156.00 22.75 o -2 9 0 363.38 359.06 40.63 o -1 9 0 268.06 259.92 42.10 o 0 9 0 3.28 14.08 9.08 o 1 9 0 44.99 26.66 9.34 o 2 9 0 116.72 113.74 16.85 o 3 9 0 104.18 109.64 16.71 o -3 -9 1 107.96 108.43 17.16 o -2 -9 1 109.18 98.60 15.26 o -1 -9 1 9.64 9.50 9.38 o 0 -9 1 9.00 5.90 6.12 o 1 -9 1 108.70 106.99 14.48 o 2 -9 1 259.33 294.38 34.11 o 3 -9 1 162.85 203.64 25.50 o 4 -9 1 1.17 -0.67 12.18 o -5 -8 1 22.02 22.31 11.30 o -4 -8 1 147.85 128.98 17.45 o -3 -8 1 375.68 386.67 34.46 o -2 -8 1 353.54 360.18 40.36 o -1 -8 1 72.33 72.39 9.62 o 0 -8 1 18.86 19.01 6.76 o 1 -8 1 170.69 177.10 15.38 o 2 -8 1 281.68 276.34 23.49 o 3 -8 1 146.91 136.09 17.09 o 4 -8 1 109.05 103.95 13.15 o 5 -8 1 112.62 99.17 16.33 o -6 -7 1 136.41 139.53 19.50 o -5 -7 1 18.04 5.81 8.01 o -4 -7 1 26.02 39.25 8.49 o -3 -7 1 270.84 270.34 21.33 o -2 -7 1 43.81 45.46 6.35 o -1 -7 1 203.28 220.64 15.33 o 0 -7 1 875.45 909.18 57.91 o 1 -7 1 943.96 1002.31 63.67 o 2 -7 1 42.40 54.82 7.25 o 3 -7 1 2.09 4.57 5.50 o 4 -7 1 17.77 17.35 8.46 o 5 -7 1 325.73 340.93 27.83 o 6 -7 1 466.24 481.88 39.11 o -7 -6 1 63.78 53.83 12.13 o -6 -6 1 17.27 12.47 7.25 o -5 -6 1 638.49 647.94 47.33 o -4 -6 1 877.41 929.78 51.74 o -3 -6 1 231.92 243.30 16.64 o -2 -6 1 10.95 8.74 3.96 o -1 -6 1 37.46 28.49 4.77 o 0 -6 1 1063.98 1071.56 60.53 o 1 -6 1 1651.01 1625.21 114.39 o 2 -6 1 583.97 568.59 35.13 o 3 -6 1 9.39 6.61 3.89 o 4 -6 1 98.44 104.38 9.41 o 5 -6 1 5.02 7.66 6.64 o 6 -6 1 99.66 95.37 11.95 o 7 -6 1 226.75 203.76 23.56 o -8 -5 1 111.09 110.40 15.97 o -7 -5 1 11.65 12.84 9.60 o -6 -5 1 38.57 31.83 7.89 o -5 -5 1 421.86 434.69 27.35 o -4 -5 1 1795.91 1827.80 102.82 o -3 -5 1 322.73 317.68 25.86 o -2 -5 1 147.35 141.71 9.70 o -1 -5 1 770.08 777.52 47.60 o 0 -5 1 639.41 619.90 30.77 o 1 -5 1 382.15 363.61 22.61 o 2 -5 1 393.52 396.23 26.80 o 3 -5 1 1049.93 1008.83 69.97 o 4 -5 1 738.78 728.33 45.30 o 5 -5 1 474.64 492.00 28.27 o 6 -5 1 0.67 0.10 4.81 o 7 -5 1 26.90 23.11 9.20 o 8 -5 1 30.71 47.12 9.98 o -8 -4 1 73.99 85.54 13.91 o -7 -4 1 48.63 59.54 10.33 o -6 -4 1 327.90 347.47 23.46 o -5 -4 1 791.24 788.70 54.75 o -4 -4 1 45.85 42.52 4.62 o -3 -4 1 24.75 20.97 3.39 o -2 -4 1 502.56 487.33 26.55 o -1 -4 1 5429.87 5147.01 295.54 o 0 -4 1 3624.86 3526.89 222.77 o 1 -4 1 122.60 144.03 29.96 o 2 -4 1 5.59 10.64 12.06 o 3 -4 1 88.10 91.21 6.83 o 4 -4 1 541.35 530.99 49.77 o 5 -4 1 1129.92 1151.10 83.57 o 6 -4 1 1241.60 1302.37 72.00 o 7 -4 1 125.58 140.13 14.34 o 8 -4 1 2.60 -1.85 11.61 o -9 -3 1 61.40 48.30 12.80 o -8 -3 1 4.15 11.24 10.34 o -7 -3 1 26.11 27.61 7.28 o -6 -3 1 932.43 943.50 55.13 o -5 -3 1 1555.29 1564.75 96.42 o -4 -3 1 503.06 510.26 31.78 o -3 -3 1 40.35 46.43 4.08 o -2 -3 1 463.20 448.80 24.39 o -1 -3 1 2369.47 2121.93 111.33 o 0 -3 1 687.16 587.14 30.96 o 1 -3 1 1262.79 1129.47 64.80 o 2 -3 1 1138.59 1077.13 69.09 o 3 -3 1 353.15 340.38 22.83 o 4 -3 1 53.68 55.03 5.40 o 5 -3 1 397.55 404.33 28.40 o 6 -3 1 615.37 666.90 35.25 o 7 -3 1 178.53 181.94 15.26 o 8 -3 1 26.47 22.06 10.45 o 9 -3 1 41.40 32.05 12.54 o -9 -2 1 101.56 92.25 14.24 o -8 -2 1 4.01 -1.19 7.51 o -7 -2 1 467.58 478.78 36.69 o -6 -2 1 1195.39 1182.67 71.65 o -5 -2 1 548.22 600.35 38.83 o -4 -2 1 1.03 5.93 4.46 o -3 -2 1 1477.59 1454.16 81.92 o -2 -2 1 3277.26 3462.84 233.56 o -1 -2 1 1518.60 1403.27 79.14 o 0 -2 1 5620.79 4962.08 311.73 o 1 -2 1 1260.24 1194.53 72.25 o 2 -2 1 3327.53 3158.16 174.04 o 3 -2 1 554.97 937.57 206.30 o 4 -2 1 568.85 752.37 102.15 o 5 -2 1 609.92 635.49 41.31 o 6 -2 1 290.59 288.43 19.89 o 7 -2 1 5.57 11.62 12.16 o 8 -2 1 64.08 60.44 10.60 o 9 -2 1 282.80 267.67 28.52 o -9 -1 1 1.02 1.73 9.83 o -8 -1 1 211.24 221.59 18.86 o -7 -1 1 566.13 603.90 41.97 o -6 -1 1 857.48 857.94 50.11 o -5 -1 1 1.02 1.37 2.92 o -4 -1 1 6.41 6.97 2.82 o -3 -1 1 500.16 439.81 23.61 o -2 -1 1 6452.56 5906.13 327.91 o -1 -1 1 1471.07 1404.69 87.03 o 0 -1 1 2532.50 2213.12 153.68 o 1 -1 1 4455.13 3703.59 244.48 o 2 -1 1 422.80 445.34 28.16 o 3 -1 1 1063.76 1050.94 63.47 o 4 -1 1 3093.50 2969.23 193.41 o 5 -1 1 2802.26 2785.31 167.05 o 6 -1 1 178.27 183.86 12.56 o 7 -1 1 9.56 5.14 5.48 o 8 -1 1 15.83 15.00 8.22 o 9 -1 1 244.51 250.12 27.71 o -9 0 1 1.04 6.69 7.70 o -8 0 1 106.18 96.47 10.05 o -7 0 1 781.36 825.91 51.39 o -6 0 1 570.67 603.52 29.84 o -5 0 1 785.71 870.83 79.00 o -4 0 1 921.62 1070.52 87.67 o -3 0 1 1073.76 1225.41 87.58 o -2 0 1 34.54 32.35 3.01 o -1 0 1 3872.21 4250.58 258.94 o 1 0 1 1239.16 1410.67 74.78 o 2 0 1 19.46 25.51 2.35 o 3 0 1 178.25 180.21 11.92 o 4 0 1 3631.29 4254.04 276.25 o 5 0 1 938.10 1007.95 62.86 o 6 0 1 33.71 35.08 4.91 o 7 0 1 12.20 14.32 5.73 o 8 0 1 266.63 263.31 19.27 o 9 0 1 55.25 41.22 12.44 o -9 1 1 48.59 48.21 10.85 o -8 1 1 268.44 265.77 20.69 o -7 1 1 246.27 256.74 20.22 o -6 1 1 215.14 213.79 12.80 o -5 1 1 754.07 722.69 36.88 o -4 1 1 1830.14 1749.46 105.95 o -3 1 1 919.97 837.11 47.12 o -2 1 1 1340.41 1229.01 71.25 o -1 1 1 4137.20 3746.84 202.93 o 0 1 1 4609.99 4059.09 204.29 o 1 1 1 449.58 399.26 23.70 o 2 1 1 1177.05 1021.15 57.46 o 3 1 1 3668.14 3365.20 175.77 o 4 1 1 1428.84 1305.41 75.37 o 5 1 1 45.73 45.25 4.36 o 6 1 1 0.27 3.18 3.17 o 7 1 1 294.27 285.28 22.71 o 8 1 1 518.09 562.61 40.75 o 9 1 1 165.32 158.56 20.08 o -9 2 1 223.04 221.82 22.68 o -8 2 1 319.10 318.98 24.06 o -7 2 1 360.71 347.76 22.70 o -6 2 1 5.85 10.95 5.12 o -5 2 1 1.35 3.91 3.44 o -4 2 1 156.75 213.24 28.89 o -3 2 1 1548.45 1886.15 243.35 o -2 2 1 8277.32 8993.70 605.47 o -1 2 1 8445.21 7575.69 421.09 o 0 2 1 17.13 23.42 2.89 o 1 2 1 2841.24 2686.84 141.66 o 2 2 1 693.88 1251.62 233.04 o 3 2 1 4268.49 4560.67 375.98 o 4 2 1 3171.36 3292.88 220.95 o 5 2 1 330.39 350.77 22.94 o 6 2 1 82.15 85.73 8.30 o 7 2 1 160.27 171.06 13.42 o 8 2 1 103.62 83.78 12.02 o 9 2 1 117.42 127.40 18.04 o -9 3 1 35.54 48.59 17.13 o -8 3 1 172.35 173.74 18.06 o -7 3 1 431.22 430.24 29.08 o -6 3 1 1642.23 1680.56 89.28 o -5 3 1 136.20 132.42 11.11 o -4 3 1 4.04 5.41 3.11 o -3 3 1 32.79 30.93 3.29 o -2 3 1 1461.96 1349.89 72.05 o -1 3 1 2700.43 2547.20 143.40 o 0 3 1 1028.78 1011.38 62.52 o 1 3 1 516.78 477.85 25.96 o 2 3 1 1421.09 1325.64 71.41 o 3 3 1 1474.77 1413.41 87.58 o 4 3 1 22.10 19.20 3.53 o 5 3 1 142.76 139.20 11.61 o 6 3 1 374.14 379.51 28.85 o 7 3 1 315.22 311.54 26.81 o 8 3 1 97.00 76.61 13.63 o -8 4 1 68.11 66.24 12.28 o -7 4 1 81.80 98.53 10.64 o -6 4 1 224.47 231.31 14.57 o -5 4 1 731.40 745.14 45.10 o -4 4 1 361.34 361.91 22.57 o -3 4 1 2277.63 2319.54 125.46 o -2 4 1 1009.02 970.78 53.71 o -1 4 1 1.91 86.20 75.32 o 0 4 1 1.87 1.18 1.63 o 1 4 1 3121.85 3115.23 209.40 o 2 4 1 3594.71 3549.86 190.32 o 3 4 1 1029.76 1032.62 68.99 o 4 4 1 77.85 81.58 10.14 o 5 4 1 19.09 17.96 6.71 o 6 4 1 277.51 276.08 20.10 o 7 4 1 143.77 139.25 14.81 o 8 4 1 181.96 144.41 19.01 o -8 5 1 142.54 163.73 22.71 o -7 5 1 97.00 93.32 11.11 o -6 5 1 20.37 18.15 6.57 o -5 5 1 20.01 14.12 5.15 o -4 5 1 614.75 618.48 35.98 o -3 5 1 2236.61 2233.73 109.29 o -2 5 1 1978.72 1987.67 100.50 o -1 5 1 4.94 4.24 2.73 o 0 5 1 21.88 20.90 3.15 o 1 5 1 256.03 244.91 14.10 o 2 5 1 1117.48 1078.43 55.11 o 3 5 1 542.58 520.57 32.68 o 4 5 1 875.25 874.60 62.48 o 5 5 1 522.39 557.92 34.80 o 6 5 1 19.20 5.17 8.79 o 7 5 1 54.55 39.20 11.21 o -7 6 1 195.11 192.86 22.45 o -6 6 1 71.86 73.33 10.93 o -5 6 1 51.38 53.14 7.65 o -4 6 1 185.61 179.61 14.55 o -3 6 1 357.93 381.79 23.68 o -2 6 1 175.85 171.82 10.98 o -1 6 1 211.30 219.95 13.13 o 0 6 1 745.58 756.59 42.36 o 1 6 1 586.03 585.93 35.12 o 2 6 1 108.08 115.36 9.84 o 3 6 1 47.58 46.00 6.04 o 4 6 1 122.06 122.85 10.90 o 5 6 1 187.39 180.91 15.03 o 6 6 1 86.93 82.56 13.96 o 7 6 1 100.67 98.29 16.43 o -6 7 1 43.49 37.10 9.65 o -5 7 1 207.12 192.37 19.24 o -4 7 1 631.21 681.88 41.39 o -3 7 1 111.20 109.13 10.90 o -2 7 1 18.04 24.36 6.71 o -1 7 1 159.38 172.31 14.51 o 0 7 1 496.43 527.84 36.62 o 1 7 1 652.14 666.59 47.86 o 2 7 1 257.93 266.60 19.63 o 3 7 1 160.24 163.64 14.57 o 4 7 1 41.58 44.99 8.75 o 5 7 1 29.88 35.01 10.21 o 6 7 1 60.99 84.43 15.90 o -5 8 1 102.36 78.46 14.32 o -4 8 1 227.93 235.55 23.79 o -3 8 1 275.81 239.37 33.75 o -2 8 1 10.48 13.30 8.56 o -1 8 1 79.05 70.14 12.68 o 0 8 1 73.83 72.77 9.79 o 1 8 1 103.28 95.59 11.23 o 2 8 1 373.57 408.57 28.59 o 3 8 1 295.04 305.44 30.43 o 4 8 1 50.94 51.89 12.33 o -3 9 1 44.01 29.89 10.57 o -2 9 1 162.71 150.56 22.78 o -1 9 1 58.50 74.66 14.03 o 0 9 1 98.08 126.80 15.71 o 1 9 1 42.41 24.18 11.87 o 2 9 1 67.79 52.85 13.96 o -4 -9 2 60.39 65.54 13.96 o -3 -9 2 53.35 29.84 11.38 o -2 -9 2 53.16 54.56 10.98 o -1 -9 2 94.49 67.65 11.75 o 0 -9 2 72.22 64.45 10.14 o 1 -9 2 103.08 106.35 14.27 o 2 -9 2 190.43 231.07 29.86 o 3 -9 2 136.14 157.33 22.83 o 4 -9 2 34.63 47.03 14.01 o -5 -8 2 153.41 139.93 18.66 o 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