#------------------------------------------------------------------------------ #$Date: 2016-04-03 00:23:16 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181014 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/94/2209440.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_2209440_Fobs loop_ _publ_author_name 'Copsey, May C.' 'Balakrishna, Maravanji S.' 'Chivers, Tristram' _publ_section_title ; A lithium complex of a bis(amido)bis(imido)silicate dianion ; _journal_coeditor_code CF2034 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1683 _journal_page_last m1685 _journal_volume 62 _journal_year 2006 _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 95.398 _cell_angle_gamma 90.000 _cell_length_a 19.4046 _cell_length_b 10.6324 _cell_length_c 30.6932 _exptl_crystal_F_000 2256.00 _reflns_d_resolution_high 0.8400 _cod_data_source_file cf2034Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' mb603 in C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 372.11 _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 6 0 0 14973.65 13897.13 261.12 o 8 0 0 4462.03 4325.81 121.85 o 10 0 0 1332.39 893.59 40.62 o 12 0 0 2058.97 2683.68 78.33 o 14 0 0 0.71 -23.21 40.62 o 16 0 0 3468.41 3234.93 95.74 o 18 0 0 528.71 562.85 58.03 o 20 0 0 48.80 -11.61 60.93 o 22 0 0 97.70 8.70 75.43 o 5 1 0 0.25 308.34 104.45 o 7 1 0 12513.59 13128.44 188.20 o 9 1 0 1390.16 1726.25 46.42 o 11 1 0 36.47 271.53 68.18 o 13 1 0 690.29 789.44 34.16 o 15 1 0 1640.19 1501.65 45.13 o 17 1 0 1043.74 872.83 42.02 o 19 1 0 473.26 516.49 66.73 o 21 1 0 316.18 259.95 60.93 o 0 2 0 14598.06 18272.26 478.71 o 4 2 0 24681.62 25136.15 549.79 o 6 2 0 33928.58 33433.64 622.32 o 8 2 0 4021.28 3844.29 72.63 o 10 2 0 93.01 49.95 23.53 o 12 2 0 1033.85 882.10 50.77 o 14 2 0 2293.70 2452.78 54.37 o 16 2 0 275.98 372.07 68.18 o 18 2 0 494.05 564.75 43.52 o 20 2 0 523.62 414.00 78.33 o 22 2 0 47.41 93.66 118.95 o 1 3 0 3106.60 3728.70 54.34 o 3 3 0 2414.78 3092.39 85.59 o 5 3 0 11801.71 11721.00 147.97 o 7 3 0 5827.43 6289.61 95.74 o 9 3 0 1454.73 1126.87 33.36 o 11 3 0 2708.37 3298.36 133.46 o 13 3 0 453.65 466.85 26.79 o 15 3 0 82.86 70.99 120.40 o 17 3 0 0.89 -34.70 34.70 o 19 3 0 74.37 61.88 97.19 o 21 3 0 118.80 87.87 69.63 o 0 4 0 31059.19 30396.45 657.14 o 2 4 0 60.19 97.94 16.41 o 4 4 0 684.20 1304.14 34.88 o 6 4 0 616.83 459.91 25.74 o 8 4 0 789.01 621.92 22.76 o 10 4 0 178.38 269.94 20.52 o 12 4 0 15480.44 16027.80 238.74 o 14 4 0 2240.65 2060.37 87.04 o 16 4 0 480.54 456.62 37.91 o 18 4 0 552.49 402.74 65.28 o 20 4 0 150.88 15.04 71.77 o 1 5 0 340.01 417.37 34.82 o 3 5 0 567.62 734.73 23.53 o 5 5 0 12648.94 13368.74 294.48 o 7 5 0 3983.52 4122.14 60.29 o 9 5 0 369.85 354.96 36.27 o 11 5 0 0.05 97.04 55.12 o 13 5 0 837.60 809.41 107.35 o 15 5 0 2844.95 2969.11 110.25 o 17 5 0 31.46 4.35 48.09 o 19 5 0 24.38 23.50 73.98 o 21 5 0 59.55 -25.11 195.84 o 0 6 0 10973.46 9769.83 384.42 o 2 6 0 2930.50 3487.47 76.88 o 4 6 0 1.66 23.79 23.21 o 6 6 0 912.55 920.65 30.57 o 8 6 0 15.36 78.97 30.46 o 10 6 0 2.94 47.58 71.08 o 12 6 0 531.01 441.92 29.85 o 14 6 0 937.12 692.61 58.03 o 16 6 0 383.18 227.80 77.02 o 18 6 0 293.06 165.68 90.29 o 20 6 0 1.38 130.62 124.76 o 1 7 0 6492.39 6710.58 91.14 o 3 7 0 932.18 992.60 34.16 o 5 7 0 5079.33 5181.23 87.03 o 7 7 0 2220.01 2035.71 107.35 o 9 7 0 1460.81 1416.31 36.27 o 11 7 0 87.74 255.67 127.66 o 13 7 0 2.83 190.43 107.35 o 15 7 0 139.47 345.13 120.40 o 17 7 0 16.79 90.78 78.35 o 19 7 0 130.18 148.74 114.81 o 0 8 0 8006.29 7810.27 183.78 o 2 8 0 2965.50 2926.31 62.02 o 4 8 0 532.00 633.87 52.22 o 6 8 0 2433.02 2271.60 54.34 o 8 8 0 2.01 -2.42 43.52 o 10 8 0 0.88 128.24 158.12 o 12 8 0 1992.71 1884.62 98.64 o 14 8 0 255.65 405.87 326.39 o 16 8 0 476.11 641.38 115.72 o 1 9 0 6928.69 6904.02 291.58 o 3 9 0 736.07 748.82 130.56 o 5 9 0 607.71 674.77 48.74 o 7 9 0 738.24 1020.33 130.56 o 9 9 0 27.28 -42.16 42.16 o 11 9 0 416.26 185.82 79.48 o 13 9 0 241.44 328.28 73.85 o 15 9 0 107.88 298.96 185.68 o 0 10 0 2649.66 2773.62 208.89 o 2 10 0 142.91 86.37 142.16 o 4 10 0 361.67 410.98 48.73 o 6 10 0 986.60 961.85 57.00 o 8 10 0 77.55 112.22 47.00 o 10 10 0 479.40 562.71 95.33 o 12 10 0 214.71 198.83 129.57 o 14 10 0 80.14 113.69 142.90 o 1 11 0 15.39 117.02 66.73 o 3 11 0 715.21 783.85 65.26 o 5 11 0 1554.10 1635.87 146.51 o 7 11 0 1445.52 1569.28 297.38 o 9 11 0 481.75 547.08 135.22 o 11 11 0 216.82 44.09 141.37 o 0 12 0 259.98 208.10 97.30 o 2 12 0 3.12 -55.12 69.63 o 4 12 0 29.08 72.73 71.74 o 6 12 0 16.20 109.84 158.12 o -21 1 1 282.24 329.50 53.22 o -19 1 1 918.28 843.73 56.57 o -17 1 1 5268.15 5385.99 109.87 o -15 1 1 23.13 182.39 78.33 o -13 1 1 1685.01 1896.40 52.22 o -11 1 1 108.84 548.63 274.17 o -9 1 1 6.89 185.96 52.22 o -7 1 1 10740.23 10133.92 284.33 o -5 1 1 6390.60 7345.49 124.76 o 3 1 1 20715.39 20656.70 414.34 o 5 1 1 79115.67 79013.46 2689.49 o 7 1 1 14176.57 13511.87 181.88 o 9 1 1 88.61 17.41 20.52 o 11 1 1 5660.16 5369.18 152.32 o 13 1 1 11902.36 12143.52 194.39 o 15 1 1 227.39 178.98 34.16 o 17 1 1 340.41 304.64 60.93 o 19 1 1 3.98 -31.67 73.98 o 21 1 1 13.89 -38.96 50.77 o -22 2 1 41.22 51.14 63.83 o -20 2 1 7.55 168.22 73.98 o -18 2 1 398.55 434.38 49.32 o -16 2 1 386.26 330.92 36.27 o -14 2 1 881.69 629.36 44.97 o -12 2 1 52.75 123.31 55.12 o -10 2 1 243.27 331.15 63.83 o -8 2 1 3836.39 4366.67 74.58 o -6 2 1 4823.71 5284.64 94.29 o -4 2 1 336.67 731.34 59.48 o -2 2 1 11102.42 11804.16 161.47 o 0 2 1 33775.85 31400.25 1190.98 o 4 2 1 1075.41 2013.58 195.84 o 6 2 1 14882.05 15351.69 205.15 o 8 2 1 665.64 679.22 88.49 o 10 2 1 812.82 757.64 56.57 o 12 2 1 20.88 32.40 23.61 o 14 2 1 22.10 10.67 56.57 o 16 2 1 1.66 -0.26 39.17 o 18 2 1 12.87 97.19 53.67 o 20 2 1 23.88 -56.46 56.46 o 22 2 1 3.74 -32.52 58.44 o -21 3 1 911.24 921.90 307.54 o -19 3 1 562.66 628.25 69.66 o -17 3 1 169.05 172.83 63.83 o -15 3 1 3.96 68.56 26.30 o -13 3 1 463.83 525.43 30.57 o -11 3 1 81.60 140.63 15.28 o -9 3 1 2097.52 1651.02 59.48 o -7 3 1 2053.95 2640.64 46.65 o -5 3 1 8289.06 9128.70 239.36 o -3 3 1 5888.35 5607.37 76.42 o -1 3 1 47876.86 47203.23 487.27 o 1 3 1 16329.82 16146.85 188.58 o 3 3 1 549.28 602.05 18.46 o 5 3 1 10008.16 9766.23 139.26 o 7 3 1 1243.61 1027.38 29.96 o 9 3 1 1549.07 1230.27 60.93 o 11 3 1 18589.11 19614.54 375.72 o 13 3 1 7353.48 7438.93 138.19 o 15 3 1 145.51 172.32 30.58 o 17 3 1 38.49 18.16 52.22 o 19 3 1 38.08 39.96 60.93 o 21 3 1 167.77 196.83 118.95 o -20 4 1 1.39 -21.31 69.63 o -18 4 1 49.17 98.64 89.94 o -16 4 1 262.94 235.60 81.24 o -14 4 1 15.78 68.54 31.13 o -12 4 1 726.93 797.22 98.64 o -10 4 1 1159.40 1279.51 44.97 o -8 4 1 143.54 144.76 33.36 o -6 4 1 343.80 494.27 49.32 o -4 4 1 14695.74 16052.45 274.17 o -2 4 1 4103.21 3658.28 166.82 o 0 4 1 780.61 1327.67 27.64 o 2 4 1 455.51 412.31 16.41 o 4 4 1 7176.19 7214.32 121.85 o 6 4 1 191.24 303.99 26.11 o 8 4 1 487.65 201.73 16.41 o 10 4 1 1166.22 1136.64 28.50 o 12 4 1 2052.70 2565.66 57.33 o 14 4 1 432.22 294.33 29.01 o 16 4 1 50.31 45.89 33.80 o 18 4 1 19.95 55.41 65.28 o 20 4 1 95.98 120.03 78.33 o -21 5 1 332.19 207.52 172.63 o -19 5 1 194.83 154.52 62.02 o -17 5 1 149.14 96.08 78.00 o -15 5 1 1370.49 1248.38 64.01 o -13 5 1 90.22 104.45 42.02 o -11 5 1 166.43 154.02 27.56 o -9 5 1 668.71 651.49 29.44 o -7 5 1 22.56 40.62 18.16 o -5 5 1 13126.30 13452.68 279.97 o -3 5 1 404.16 261.89 19.41 o -1 5 1 531.75 594.82 22.57 o 1 5 1 5450.29 4968.30 67.61 o 3 5 1 3775.70 3847.46 59.87 o 5 5 1 7510.39 7826.74 169.73 o 7 5 1 2322.34 2272.65 68.18 o 9 5 1 105.24 77.33 27.56 o 11 5 1 8140.32 7577.40 142.51 o 13 5 1 6862.35 6307.86 121.04 o 15 5 1 15.70 -18.30 52.22 o 17 5 1 767.80 662.01 63.43 o 19 5 1 249.64 177.89 92.84 o 21 5 1 30.87 88.54 110.55 o -20 6 1 290.76 456.36 133.46 o -18 6 1 46.21 30.17 310.44 o -16 6 1 17.98 84.50 82.10 o -14 6 1 892.33 848.14 78.33 o -12 6 1 1102.73 1254.35 56.17 o -10 6 1 95.49 98.14 27.23 o -8 6 1 820.09 997.30 100.09 o -6 6 1 539.49 599.78 25.58 o -4 6 1 60.53 71.47 47.87 o -2 6 1 4354.88 4219.11 65.65 o 0 6 1 16450.34 17189.20 193.66 o 2 6 1 911.29 1171.10 32.63 o 4 6 1 158.63 214.67 44.97 o 6 6 1 14446.38 15079.18 213.74 o 8 6 1 7178.05 7821.47 249.51 o 10 6 1 237.60 328.30 62.38 o 12 6 1 588.78 609.14 35.96 o 14 6 1 772.38 777.41 85.59 o 16 6 1 0.88 122.97 83.48 o 18 6 1 90.32 79.20 137.81 o 20 6 1 75.69 189.85 120.00 o -19 7 1 100.67 115.61 108.94 o -17 7 1 11.13 99.07 84.14 o -15 7 1 255.14 412.52 61.44 o -13 7 1 212.52 255.95 66.73 o -11 7 1 26.86 51.52 37.91 o -9 7 1 1600.50 1236.55 41.72 o -7 7 1 21.52 64.72 31.91 o -5 7 1 14.51 21.76 24.62 o -3 7 1 241.53 229.28 28.44 o -1 7 1 11946.94 11653.26 221.95 o 1 7 1 1502.50 1700.11 73.98 o 3 7 1 37.94 115.64 44.97 o 5 7 1 358.02 334.56 26.67 o 7 7 1 140.36 62.59 78.33 o 9 7 1 107.01 124.17 46.42 o 11 7 1 6467.66 6375.06 256.76 o 13 7 1 724.71 894.08 87.04 o 15 7 1 817.22 926.98 75.91 o 17 7 1 34.18 44.18 117.50 o 19 7 1 0.12 181.27 148.71 o -16 8 1 97.42 227.21 85.03 o -14 8 1 2.62 151.38 76.41 o -12 8 1 13.57 -29.12 64.50 o -10 8 1 37.69 140.06 124.76 o -8 8 1 1.59 48.56 23.00 o -6 8 1 547.54 516.59 31.35 o -4 8 1 1385.70 1175.77 42.02 o -2 8 1 5261.21 5464.53 104.09 o 0 8 1 1697.10 1647.37 55.28 o 2 8 1 6.09 77.05 85.59 o 4 8 1 6701.43 6704.27 109.74 o 6 8 1 3355.62 3156.62 113.15 o 8 8 1 432.86 572.67 84.14 o 10 8 1 187.70 236.02 37.02 o 12 8 1 116.77 -36.82 85.59 o 14 8 1 364.80 437.12 94.29 o 16 8 1 12.75 323.78 132.59 o -15 9 1 20.66 125.12 158.12 o -13 9 1 107.32 78.79 87.97 o -11 9 1 1038.17 1235.58 83.07 o -9 9 1 3.68 -59.39 59.39 o -7 9 1 26.09 -5.21 39.03 o -5 9 1 1324.46 1286.85 55.39 o -3 9 1 54.40 5.25 37.91 o -1 9 1 1561.44 1651.19 56.39 o 1 9 1 834.77 811.08 105.90 o 3 9 1 852.15 910.09 66.73 o 5 9 1 894.93 893.62 51.29 o 7 9 1 1479.45 1440.41 64.78 o 9 9 1 67.45 102.92 38.82 o 11 9 1 844.77 728.56 76.75 o 13 9 1 124.01 83.96 119.69 o 15 9 1 7.29 159.16 135.03 o -14 10 1 69.90 73.46 338.00 o -12 10 1 22.94 -46.49 133.46 o -10 10 1 901.79 988.64 106.65 o -8 10 1 362.93 306.73 53.59 o -6 10 1 1421.56 1569.13 70.41 o -4 10 1 112.27 112.06 65.28 o -2 10 1 1618.24 1557.96 72.96 o 0 10 1 2144.50 2474.17 108.80 o 2 10 1 120.74 103.61 50.44 o 4 10 1 1513.48 1531.26 110.25 o 6 10 1 14.56 -45.32 59.07 o 8 10 1 35.14 90.91 51.05 o 10 10 1 383.48 425.63 114.98 o 12 10 1 1372.11 1561.09 214.69 o 14 10 1 124.07 208.57 159.57 o -11 11 1 0.84 -100.93 281.42 o -9 11 1 26.60 265.83 93.58 o -7 11 1 21.92 65.69 117.50 o -5 11 1 171.11 261.63 59.49 o -3 11 1 0.01 35.32 59.39 o -1 11 1 1728.77 1933.26 77.25 o 1 11 1 457.77 427.79 54.46 o 3 11 1 81.70 160.54 54.94 o 5 11 1 151.80 172.44 56.39 o 7 11 1 538.42 560.31 68.12 o 9 11 1 269.94 254.96 190.03 o 11 11 1 182.62 -34.66 133.84 o -6 12 1 28.89 -3.44 76.67 o -4 12 1 348.28 330.40 86.37 o -2 12 1 97.13 71.70 76.88 o 0 12 1 1.64 19.73 63.86 o 2 12 1 240.46 166.24 74.58 o 4 12 1 658.09 661.76 91.08 o 6 12 1 955.57 846.99 153.77 o -22 0 2 259.23 252.41 84.14 o -20 0 2 135.52 197.29 55.12 o -18 0 2 403.25 336.55 52.22 o -16 0 2 4276.22 4206.86 116.05 o -14 0 2 10161.89 11439.75 235.00 o -12 0 2 162.22 229.20 37.72 o -10 0 2 189.89 232.10 31.91 o -8 0 2 24091.27 27257.53 487.42 o -6 0 2 13402.38 16699.77 304.63 o 4 0 2 1105.48 1494.16 49.32 o 6 0 2 14788.47 14816.84 281.42 o 8 0 2 2868.59 3858.70 110.25 o 10 0 2 5516.05 5576.26 147.97 o 12 0 2 13033.14 13151.50 255.31 o 14 0 2 1560.83 1720.46 66.73 o 16 0 2 296.17 240.81 49.32 o 18 0 2 173.21 145.06 55.12 o 20 0 2 5.24 58.03 60.93 o 22 0 2 752.95 609.27 89.94 o -23 1 2 218.15 75.71 130.56 o -21 1 2 41.68 33.07 53.11 o -19 1 2 8.71 14.76 35.86 o -17 1 2 569.28 511.82 37.91 o -15 1 2 2289.17 2143.52 89.94 o -13 1 2 873.38 1001.52 44.97 o -11 1 2 11677.49 12425.19 288.68 o -9 1 2 3491.82 4562.13 198.74 o -7 1 2 10065.27 10720.61 136.31 o -5 1 2 22995.44 21403.52 304.60 o -3 1 2 19558.45 19721.69 694.86 o 3 1 2 638.71 924.66 23.61 o 5 1 2 13326.56 13909.80 193.73 o 7 1 2 606.71 630.59 23.00 o 9 1 2 5.52 43.21 18.77 o 11 1 2 287.64 363.09 27.64 o 13 1 2 109.06 200.61 39.17 o 15 1 2 370.70 449.24 68.18 o 17 1 2 84.55 3.69 33.80 o 19 1 2 15.68 -43.79 43.79 o 21 1 2 0.47 -13.90 48.73 o -22 2 2 1047.51 1111.16 79.47 o -20 2 2 2224.62 2150.57 87.12 o -18 2 2 9.68 4.96 38.34 o -16 2 2 328.68 242.24 62.38 o -14 2 2 18.43 161.00 49.32 o -12 2 2 407.16 535.74 32.82 o -10 2 2 4700.19 5268.69 99.10 o -8 2 2 7973.95 8570.85 117.84 o -6 2 2 1696.90 2190.51 50.94 o -4 2 2 13457.62 14105.45 207.44 o -2 2 2 3418.95 4906.77 330.75 o 0 2 2 9957.65 10657.31 230.65 o 2 2 2 33642.90 32418.91 457.14 o 4 2 2 138463.14 129127.28 4230.07 o 6 2 2 13688.18 13126.13 186.70 o 8 2 2 3045.72 3478.20 89.94 o 10 2 2 18539.25 17652.64 442.45 o 12 2 2 6307.34 6329.91 111.12 o 14 2 2 13.01 27.27 30.57 o 16 2 2 4278.27 4252.92 81.56 o 18 2 2 2005.06 1991.80 184.23 o 20 2 2 102.01 32.85 114.60 o 22 2 2 205.87 255.31 61.55 o -21 3 2 1.76 22.63 63.86 o -19 3 2 532.22 537.71 72.53 o -17 3 2 44.84 -11.61 32.82 o -15 3 2 14.64 28.18 16.16 o -13 3 2 10.83 -17.54 17.54 o -11 3 2 828.71 866.88 66.73 o -9 3 2 4545.39 4909.46 89.94 o -7 3 2 808.48 1096.10 208.89 o -5 3 2 827.56 1119.72 26.30 o -3 3 2 1331.99 1407.45 25.74 o -1 3 2 2614.70 2990.10 159.57 o 1 3 2 10554.01 9237.67 109.63 o 3 3 2 920.62 1312.96 27.85 o 5 3 2 11145.63 11173.66 135.22 o 7 3 2 4342.88 4645.89 129.11 o 9 3 2 1244.46 1569.29 63.83 o 11 3 2 7398.81 7988.05 126.40 o 13 3 2 57.24 88.49 30.77 o 15 3 2 3582.19 3270.26 62.26 o 17 3 2 101.35 109.83 34.82 o 19 3 2 127.35 93.81 67.61 o 21 3 2 9.89 63.83 62.76 o -20 4 2 1332.39 1403.07 77.23 o -18 4 2 131.79 157.52 85.59 o -16 4 2 1286.11 1303.43 60.10 o -14 4 2 432.27 471.73 46.42 o -12 4 2 75.85 77.82 58.03 o -10 4 2 4738.91 4724.39 96.36 o -8 4 2 3407.40 3560.28 63.28 o -6 4 2 21729.80 22287.86 351.06 o -4 4 2 20859.41 23292.62 616.52 o -2 4 2 676.57 488.60 50.77 o 0 4 2 10282.47 10743.92 246.61 o 2 4 2 1709.56 2022.60 49.32 o 4 4 2 1702.06 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