#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/36/2213643.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_2213643_Fobs loop_ _publ_author_name 'Zhong, H.' 'Zeng, X.-R.' 'Yang, X.-M.' 'Luo, Q.-Y.' _publ_section_title ; Bis(4,4'-bipyridine-\kN)tetrakis(nitrato-\k^2^O,O')tin(IV) ; _journal_coeditor_code AT2281 _journal_issue 6 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1566 _journal_volume 63 _journal_year 2007 _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 117.991 _cell_angle_gamma 90.000 _cell_length_a 20.1118 _cell_length_b 7.8134 _cell_length_c 17.3023 _exptl_crystal_F_000 1352.00 _reflns_d_resolution_high 0.8092 _[local]_cod_data_source_file at2281Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' a in C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 364.46 _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+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -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 56079.62 63538.53 828.93 o 4 0 0 611.03 2624.74 36.00 o 16 0 0 7291.33 7177.88 101.70 o 18 0 0 4008.39 3900.39 62.13 o 1 1 0 9580.18 10212.74 164.09 o 3 1 0 72245.59 67848.57 734.22 o 5 1 0 253.19 40.84 2.40 o 7 1 0 2500.75 2804.41 23.08 o 9 1 0 2741.79 2967.41 48.86 o 11 1 0 8778.48 8152.45 110.62 o 13 1 0 3578.92 3284.62 50.96 o 15 1 0 1309.88 1315.98 27.32 o 17 1 0 499.36 460.72 17.73 o 19 1 0 802.97 840.33 25.42 o 0 2 0 1862.53 2666.12 21.68 o 2 2 0 15729.78 14152.07 141.78 o 4 2 0 14940.05 13663.15 113.89 o 6 2 0 24988.39 21932.52 126.39 o 8 2 0 13629.21 12656.92 74.27 o 10 2 0 4343.29 3739.03 24.54 o 12 2 0 226.94 258.04 7.87 o 14 2 0 787.68 760.82 18.16 o 16 2 0 863.86 1002.27 17.38 o 18 2 0 935.82 1145.70 29.09 o 1 3 0 23465.32 25040.87 229.25 o 3 3 0 38219.55 36277.21 480.50 o 5 3 0 41884.93 39396.92 347.07 o 7 3 0 17825.38 17507.92 115.48 o 9 3 0 4269.13 4808.67 34.68 o 11 3 0 16022.62 15616.70 143.79 o 13 3 0 9607.29 9713.74 76.88 o 15 3 0 2732.16 2633.56 46.92 o 17 3 0 3931.35 4064.84 66.82 o 19 3 0 1618.63 1614.66 36.99 o 0 4 0 17044.44 15681.55 118.40 o 2 4 0 11781.72 11336.68 61.39 o 4 4 0 1480.87 1707.03 12.65 o 6 4 0 121.02 237.54 4.84 o 8 4 0 1633.26 1656.98 14.87 o 10 4 0 1135.21 1334.38 16.02 o 12 4 0 263.14 272.48 10.45 o 14 4 0 4627.59 4998.37 115.09 o 16 4 0 1520.68 1455.37 33.99 o 18 4 0 925.91 832.48 19.88 o 1 5 0 390.97 451.60 9.11 o 3 5 0 3756.85 3567.37 40.17 o 5 5 0 4346.81 4369.55 29.23 o 7 5 0 4042.71 3945.75 35.51 o 9 5 0 1616.50 1620.13 16.47 o 11 5 0 1039.84 1021.71 12.91 o 13 5 0 908.20 874.60 12.62 o 15 5 0 412.72 434.78 14.76 o 17 5 0 45.09 35.58 9.34 o 0 6 0 3638.06 3602.15 32.52 o 2 6 0 2584.66 2740.94 18.47 o 4 6 0 13003.81 12888.87 87.97 o 6 6 0 8694.80 9182.67 75.98 o 8 6 0 4985.48 4998.60 39.08 o 10 6 0 5001.60 4807.10 38.48 o 12 6 0 3096.68 2783.46 26.02 o 14 6 0 1491.30 1387.70 35.30 o 16 6 0 1655.55 1639.96 29.42 o 1 7 0 1413.54 1338.90 20.07 o 3 7 0 1964.32 2059.14 20.07 o 5 7 0 846.82 889.25 12.40 o 7 7 0 2832.89 2850.09 26.09 o 9 7 0 958.72 884.51 21.37 o 11 7 0 1099.13 1025.88 14.84 o 13 7 0 772.94 720.95 13.09 o 15 7 0 670.23 611.11 27.48 o 0 8 0 258.88 305.78 18.00 o 2 8 0 413.88 437.85 16.69 o 4 8 0 0.74 9.96 5.66 o 6 8 0 270.66 237.89 8.72 o 8 8 0 449.16 503.92 21.06 o 10 8 0 223.52 270.90 9.35 o 12 8 0 356.69 516.09 12.28 o 1 9 0 1558.85 1453.64 84.54 o 3 9 0 1041.85 862.83 31.39 o 5 9 0 1899.79 1993.27 26.42 o 7 9 0 1766.48 1896.06 39.83 o -19 1 1 1773.05 1673.68 35.59 o -17 1 1 3994.58 4288.90 66.94 o -15 1 1 4916.29 4969.52 73.94 o -13 1 1 4826.06 4871.27 71.07 o -11 1 1 10929.17 11174.72 148.47 o -9 1 1 24572.07 22847.37 208.76 o -7 1 1 20073.59 20307.33 164.44 o -5 1 1 21792.03 22323.37 200.56 o -3 1 1 74850.73 77810.15 1567.39 o -1 1 1 39826.30 41925.65 1286.23 o 1 1 1 13412.25 17868.48 189.37 o 3 1 1 427.19 1972.07 13.48 o 5 1 1 517.70 2002.13 38.14 o 7 1 1 19996.37 19871.74 294.72 o 9 1 1 24715.73 23764.40 215.78 o 11 1 1 9902.44 9642.41 91.52 o 13 1 1 6379.10 6066.50 86.01 o 15 1 1 5249.91 5154.15 76.11 o 17 1 1 2175.20 2190.89 42.66 o 19 1 1 1377.97 1291.90 32.67 o -20 2 1 2253.80 2426.47 47.07 o -18 2 1 2581.11 2622.96 47.65 o -16 2 1 1971.32 2098.82 27.23 o -14 2 1 5823.91 5881.96 60.19 o -12 2 1 7725.14 7447.84 60.13 o -10 2 1 11158.59 10937.20 73.00 o -8 2 1 5717.69 6665.74 64.29 o -6 2 1 23643.89 24322.14 151.40 o -4 2 1 70824.26 67788.37 1154.72 o -2 2 1 49665.11 50756.30 815.18 o 0 2 1 5494.25 8031.27 59.20 o 2 2 1 12095.93 13379.95 77.39 o 4 2 1 30289.95 30243.83 205.62 o 6 2 1 15004.42 16063.97 107.69 o 8 2 1 15504.99 15083.30 88.19 o 10 2 1 16376.89 15969.15 122.13 o 12 2 1 8286.39 8459.55 82.73 o 14 2 1 1695.18 1688.57 36.59 o 16 2 1 2158.50 1947.87 46.75 o -21 3 1 31.34 55.87 15.37 o -19 3 1 12.97 21.66 12.09 o -17 3 1 10.12 24.47 9.75 o -15 3 1 7.35 16.12 8.16 o -13 3 1 1.36 53.80 7.02 o -11 3 1 21.27 46.54 11.12 o -9 3 1 903.82 888.65 9.26 o -7 3 1 228.98 247.79 11.43 o -5 3 1 1189.14 1128.31 26.79 o -3 3 1 16275.79 12176.86 144.46 o -1 3 1 13118.14 9862.70 53.10 o 1 3 1 3012.72 2059.92 15.95 o 3 3 1 1709.44 1151.53 10.42 o 5 3 1 1842.70 1277.91 9.91 o 7 3 1 72.22 45.80 3.05 o 9 3 1 2462.88 2040.39 26.62 o 11 3 1 1241.12 1321.37 14.93 o 13 3 1 40.35 48.48 4.72 o 15 3 1 17.32 38.81 9.37 o 17 3 1 0.15 6.09 9.84 o -20 4 1 1108.26 1138.14 24.14 o -18 4 1 925.65 904.61 20.32 o -16 4 1 4187.79 4281.07 60.53 o -14 4 1 6653.06 6843.19 50.80 o -12 4 1 1310.72 1659.98 16.73 o -10 4 1 4489.82 4691.25 35.58 o -8 4 1 11198.72 11068.26 66.80 o -6 4 1 8292.14 8382.51 55.50 o -4 4 1 2441.72 2930.92 20.27 o -2 4 1 19049.96 18684.31 160.43 o 0 4 1 13091.13 13249.47 77.89 o 2 4 1 23662.51 22532.04 157.44 o 4 4 1 24135.32 22701.46 131.45 o 6 4 1 2842.61 3031.26 20.65 o 8 4 1 4971.82 4704.84 34.57 o 10 4 1 3178.02 3297.39 55.11 o 12 4 1 2149.88 2403.56 30.05 o 14 4 1 3629.81 3865.59 64.18 o 16 4 1 3456.02 3775.45 64.53 o 18 4 1 767.38 689.04 25.99 o -19 5 1 1261.27 1306.29 36.32 o -17 5 1 1402.34 1290.91 24.83 o -15 5 1 539.55 427.40 9.73 o -13 5 1 3559.29 3395.35 29.34 o -11 5 1 4338.64 4364.19 58.87 o -9 5 1 5031.79 5386.13 40.68 o -7 5 1 16020.37 15200.59 115.50 o -5 5 1 13839.37 14206.20 95.31 o -3 5 1 10213.91 10482.08 57.74 o -1 5 1 2943.88 3203.99 23.59 o 1 5 1 11809.57 11726.51 64.19 o 3 5 1 11906.82 11859.95 65.00 o 5 5 1 15498.50 15001.16 89.43 o 7 5 1 7625.99 7448.38 70.40 o 9 5 1 4815.12 4696.87 48.10 o 11 5 1 3723.96 3474.00 33.54 o 13 5 1 4348.24 4450.90 73.36 o 15 5 1 2472.86 2753.97 52.81 o 17 5 1 914.27 853.32 28.52 o -16 6 1 122.13 145.86 10.00 o -14 6 1 3.18 10.08 5.33 o -12 6 1 190.10 269.43 12.06 o -10 6 1 528.70 442.68 13.62 o -8 6 1 62.68 58.42 4.79 o -6 6 1 54.93 108.66 6.18 o -4 6 1 507.99 490.33 13.34 o -2 6 1 276.86 287.97 5.92 o 0 6 1 520.30 552.66 7.22 o 2 6 1 135.66 147.01 7.50 o 4 6 1 85.59 86.15 10.85 o 6 6 1 235.90 234.53 6.92 o 8 6 1 7.08 12.08 7.21 o 10 6 1 45.46 56.06 6.66 o 12 6 1 160.62 208.79 9.43 o 14 6 1 13.02 0.73 8.31 o 16 6 1 103.80 117.27 11.30 o -15 7 1 938.18 965.15 18.49 o -13 7 1 1403.76 1570.93 24.29 o -11 7 1 1554.39 1586.95 18.62 o -9 7 1 2877.83 3064.66 27.89 o -7 7 1 681.89 678.21 17.55 o -5 7 1 1796.93 1805.96 18.64 o -3 7 1 5042.30 4795.74 58.20 o -1 7 1 3167.90 3175.21 40.82 o 1 7 1 2982.99 3212.20 32.13 o 3 7 1 5460.97 5587.88 42.92 o 5 7 1 4431.93 4543.63 36.62 o 7 7 1 1411.19 1414.19 24.89 o 9 7 1 1522.79 1402.89 16.96 o 11 7 1 1881.07 2117.33 30.34 o 13 7 1 793.92 741.13 20.13 o -12 8 1 1198.72 1098.62 16.60 o -10 8 1 1422.41 1499.17 21.86 o -8 8 1 2131.71 2130.11 26.06 o -6 8 1 2571.24 2427.88 24.16 o -4 8 1 1068.93 860.90 15.29 o -2 8 1 2920.51 2812.58 38.93 o 0 8 1 7656.78 8264.21 88.41 o 2 8 1 4772.02 5052.71 59.50 o 4 8 1 1625.44 1512.91 21.02 o 6 8 1 2755.85 2669.24 32.23 o 8 8 1 3176.21 3402.99 31.23 o 10 8 1 986.46 788.17 13.86 o -7 9 1 266.64 333.86 12.43 o -5 9 1 319.34 383.66 12.83 o -3 9 1 28.67 1.97 8.58 o -1 9 1 31.18 20.18 9.28 o 1 9 1 74.66 106.23 16.55 o 3 9 1 116.67 102.53 15.80 o 5 9 1 73.86 66.75 8.59 o 7 9 1 80.73 90.20 13.42 o -20 0 2 702.21 541.94 19.89 o -18 0 2 3997.45 3969.57 63.27 o -8 0 2 9560.84 10505.98 138.66 o -6 0 2 36440.66 37513.47 492.00 o -4 0 2 25088.38 30083.68 397.85 o -2 0 2 55932.71 68393.25 767.41 o 0 0 2 52908.50 61571.38 568.09 o 2 0 2 100010.60 102511.10 1326.50 o 4 0 2 4940.84 1244.45 20.66 o 6 0 2 50647.61 44364.23 582.09 o 8 0 2 41174.12 39353.87 504.02 o 10 0 2 15429.23 15360.06 142.11 o 12 0 2 2061.16 1968.95 32.90 o 14 0 2 4868.78 4939.21 71.85 o 20 0 2 1162.56 1066.62 31.81 o -21 1 2 886.06 982.51 28.24 o -19 1 2 378.70 334.99 12.28 o -17 1 2 152.94 132.48 10.97 o -15 1 2 2769.71 2779.85 46.28 o -13 1 2 3831.14 3562.14 54.67 o -11 1 2 529.60 677.03 11.28 o -9 1 2 10246.80 9912.96 93.45 o -7 1 2 3278.00 3767.70 30.51 o -5 1 2 45737.27 39342.79 332.26 o -3 1 2 3079.62 4356.46 41.13 o -1 1 2 13058.62 12711.38 87.80 o 1 1 2 265.68 132.82 11.45 o 3 1 2 933.65 1787.95 15.37 o 5 1 2 16033.65 15005.74 212.00 o 7 1 2 11575.93 10185.86 67.61 o 9 1 2 2787.77 2751.84 30.91 o 11 1 2 678.80 700.92 12.31 o 13 1 2 3012.77 3029.83 34.89 o 15 1 2 318.62 274.20 11.39 o 17 1 2 1318.60 1499.57 34.36 o 19 1 2 770.70 894.97 28.05 o -22 2 2 361.19 426.11 21.66 o -20 2 2 399.65 401.89 23.21 o -18 2 2 325.09 322.05 11.91 o -16 2 2 606.32 657.61 19.89 o -14 2 2 568.45 615.59 18.58 o -12 2 2 105.23 168.73 5.50 o -10 2 2 6301.94 6391.05 62.58 o -8 2 2 12001.34 10583.80 72.54 o -6 2 2 88.08 123.00 8.23 o -4 2 2 3913.24 3702.26 25.95 o -2 2 2 954.91 215.25 9.38 o 0 2 2 13754.96 12106.92 70.29 o 2 2 2 34822.34 29243.47 243.04 o 4 2 2 5036.90 4687.97 28.77 o 6 2 2 3795.10 3756.52 26.75 o 8 2 2 5743.22 5537.53 49.51 o 10 2 2 388.94 430.20 13.39 o 12 2 2 3075.70 2817.12 32.60 o 14 2 2 363.91 428.36 45.95 o 16 2 2 347.76 389.18 17.44 o -21 3 2 1097.54 1013.95 36.55 o -19 3 2 2806.14 2871.54 38.52 o -17 3 2 3042.10 3090.59 121.79 o -15 3 2 2392.15 2547.77 24.12 o -13 3 2 3467.80 3728.36 29.60 o -11 3 2 14950.07 14406.08 108.03 o -9 3 2 5869.02 6520.62 40.56 o -7 3 2 15487.31 16537.43 116.03 o -5 3 2 34923.71 34071.49 272.69 o -3 3 2 14876.82 16744.23 226.52 o -1 3 2 39410.22 38288.39 670.65 o 1 3 2 8608.04 10042.85 59.36 o 3 3 2 9246.05 9856.99 58.40 o 5 3 2 28605.62 27361.03 157.56 o 7 3 2 4031.23 4572.30 29.26 o 9 3 2 8266.64 8199.43 83.76 o 11 3 2 6972.80 7119.53 57.58 o 13 3 2 8268.12 8423.19 181.46 o 15 3 2 4363.89 4397.68 70.06 o -20 4 2 586.44 590.49 18.07 o -18 4 2 1000.57 1126.67 22.32 o -16 4 2 1495.02 1382.08 16.28 o -14 4 2 3465.83 3335.42 30.80 o -12 4 2 3453.94 3271.24 27.15 o -10 4 2 1714.79 1807.34 17.00 o -8 4 2 6220.04 6080.01 57.85 o -6 4 2 3336.04 3334.65 39.82 o -4 4 2 10802.15 10694.32 85.79 o -2 4 2 1878.90 2188.86 27.61 o 0 4 2 2332.26 2644.21 18.22 o 2 4 2 10796.77 10305.72 61.62 o 4 4 2 1575.93 1745.62 18.44 o 6 4 2 3478.70 3295.41 22.36 o 8 4 2 2972.48 3103.10 24.58 o 10 4 2 868.31 944.70 12.50 o 12 4 2 2370.25 2247.74 42.20 o 14 4 2 646.34 526.07 19.98 o 16 4 2 1267.32 1365.46 33.98 o -19 5 2 233.62 288.56 14.44 o -17 5 2 516.87 588.89 16.75 o -15 5 2 18.42 10.89 4.61 o -13 5 2 612.34 707.20 11.15 o -11 5 2 855.90 970.41 12.31 o -9 5 2 726.35 752.60 12.26 o -7 5 2 110.93 130.89 5.63 o -5 5 2 2582.68 2387.87 25.21 o -3 5 2 2408.27 2454.32 16.16 o -1 5 2 768.26 811.36 7.49 o 1 5 2 2620.66 2595.57 17.09 o 3 5 2 1035.30 1065.96 19.37 o 5 5 2 1141.16 1043.73 14.75 o 7 5 2 1549.52 1473.27 17.45 o 9 5 2 92.47 102.13 9.35 o 11 5 2 1022.81 1071.91 18.75 o 13 5 2 1041.65 1109.71 29.56 o 15 5 2 33.48 30.66 11.81 o -18 6 2 1330.51 1329.98 26.25 o -16 6 2 1942.30 1780.31 25.82 o -14 6 2 2301.12 2253.18 27.52 o -12 6 2 6359.28 6706.31 61.38 o -10 6 2 4107.93 4024.75 52.74 o -8 6 2 5589.21 5669.23 43.28 o -6 6 2 9307.34 9117.18 64.59 o -4 6 2 2998.16 2984.71 45.73 o -2 6 2 4314.96 4381.49 29.97 o 0 6 2 4379.52 4645.17 34.10 o 2 6 2 10615.18 10585.81 59.27 o 4 6 2 9058.16 9489.32 66.67 o 6 6 2 4753.46 4641.85 36.45 o 8 6 2 1720.35 1450.34 18.35 o 10 6 2 5114.32 5002.22 62.81 o 12 6 2 2490.70 2498.48 50.09 o 14 6 2 907.49 711.63 19.18 o -15 7 2 821.04 816.56 14.21 o -13 7 2 312.48 218.52 8.36 o -11 7 2 1092.82 1048.28 14.76 o -9 7 2 4757.34 5061.33 40.84 o -7 7 2 876.96 774.57 15.07 o -5 7 2 2873.58 2795.95 25.23 o -3 7 2 3509.72 3764.52 31.20 o -1 7 2 3807.65 3849.11 31.52 o 1 7 2 2114.94 2235.77 24.98 o 3 7 2 1138.55 1090.85 15.42 o 5 7 2 504.29 419.11 9.54 o 7 7 2 1251.66 1196.12 28.51 o 9 7 2 1745.79 1812.29 24.09 o 11 7 2 613.23 574.53 43.43 o 13 7 2 1451.46 1829.61 33.32 o -12 8 2 62.96 45.13 7.05 o -10 8 2 229.03 206.86 8.51 o -8 8 2 27.37 21.02 5.61 o -6 8 2 234.43 230.38 8.00 o -4 8 2 441.89 530.38 22.74 o -2 8 2 104.16 106.02 27.70 o 0 8 2 553.69 563.21 27.39 o 2 8 2 55.13 81.52 17.06 o 4 8 2 2.83 6.89 6.19 o 6 8 2 44.85 49.95 11.06 o 8 8 2 493.72 549.46 11.88 o 10 8 2 37.01 17.81 9.39 o -7 9 2 1698.65 1698.25 24.39 o -5 9 2 1460.37 1376.37 26.92 o -3 9 2 2376.30 2404.25 37.14 o -1 9 2 2036.39 2092.32 34.03 o 1 9 2 1520.05 1336.23 26.54 o 3 9 2 1291.28 1161.21 24.47 o 5 9 2 1742.92 1845.10 31.94 o -23 1 3 619.24 516.16 23.73 o -21 1 3 975.50 817.93 25.15 o -19 1 3 3444.97 3539.86 65.20 o -17 1 3 2982.85 2969.75 35.75 o -15 1 3 4425.42 4555.62 48.80 o -13 1 3 717.66 1001.33 16.55 o -11 1 3 6979.57 7281.99 49.71 o -9 1 3 33126.11 31630.71 234.73 o -7 1 3 22099.99 21715.74 124.99 o -5 1 3 4583.75 7196.89 71.46 o -3 1 3 39722.73 39636.97 331.09 o -1 1 3 38479.52 40023.56 213.33 o 1 1 3 5113.89 1370.09 17.50 o 3 1 3 2831.64 4714.42 42.09 o 5 1 3 7800.65 8500.82 83.92 o 7 1 3 7061.06 7775.22 56.89 o 9 1 3 6791.36 6992.19 54.75 o 11 1 3 2402.89 2446.93 23.55 o 13 1 3 2320.40 2161.87 22.40 o 15 1 3 2657.38 2725.71 49.83 o 17 1 3 1139.46 1165.61 30.78 o 19 1 3 523.69 399.45 21.38 o -22 2 3 1768.44 2041.17 43.57 o -20 2 3 1189.19 1117.93 47.11 o -18 2 3 1393.77 1286.78 21.61 o -16 2 3 1977.38 1891.61 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