#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2211575.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_2211575_Fobs loop_ _publ_author_name 'Kropid\/lowska, Anna' 'Turowska-Tyrk, Ilona' 'Becker, Barbara' _publ_section_title ; (2,2'-Bipyridine)bis(tri-tert-butoxysilanethiolato-\k^2^O,S)cadmium(II) ; _journal_coeditor_code RB3023 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m3407 _journal_page_last m3409 _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 98.006 _cell_angle_gamma 90.000 _cell_length_a 16.9395 _cell_length_b 9.6160 _cell_length_c 26.8410 _exptl_crystal_F_000 1744.00 _reflns_d_resolution_high 0.8409 _[local]_cod_data_source_file rb3023Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' CDBIP in C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 507.23 _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 4 0 0 17369.92 17233.67 933.33 o 6 0 0 585.17 496.29 46.86 o 8 0 0 18579.88 17436.76 365.23 o 10 0 0 17158.08 15950.59 247.13 o 12 0 0 12298.76 13045.72 281.71 o 14 0 0 9055.87 9883.92 304.02 o 16 0 0 649.31 862.08 223.85 o 18 0 0 1254.68 1247.92 116.51 o 3 1 0 17705.72 17487.18 233.93 o 5 1 0 5306.73 4509.30 144.86 o 7 1 0 22823.02 23822.01 362.92 o 9 1 0 26299.06 26490.61 708.06 o 11 1 0 11904.96 11731.62 257.16 o 13 1 0 9556.17 9456.66 228.41 o 15 1 0 5097.77 4837.68 306.67 o 17 1 0 661.46 645.74 173.26 o 19 1 0 1161.26 713.76 82.19 o 0 2 0 118688.25 124300.73 500.25 o 2 2 0 15816.98 15722.48 75.71 o 4 2 0 14596.07 14655.33 344.17 o 6 2 0 36601.70 38338.21 798.10 o 8 2 0 21807.45 23911.27 571.13 o 10 2 0 12086.73 12192.31 172.86 o 12 2 0 5236.73 5503.15 233.00 o 14 2 0 9908.49 10234.75 343.61 o 16 2 0 1921.98 1939.53 213.21 o 18 2 0 1155.80 1604.17 211.11 o 1 3 0 50481.35 49563.21 535.43 o 3 3 0 76783.42 77648.48 786.71 o 5 3 0 92151.24 104915.08 2564.21 o 7 3 0 16708.30 16942.07 191.07 o 9 3 0 5555.50 5555.33 155.24 o 11 3 0 909.89 937.14 62.19 o 13 3 0 7012.41 6610.93 260.51 o 15 3 0 7931.94 8170.54 283.63 o 17 3 0 783.54 586.47 57.67 o 19 3 0 694.89 504.86 95.37 o 0 4 0 17768.40 18103.66 230.29 o 2 4 0 11405.36 11650.28 208.57 o 4 4 0 36045.57 34932.77 762.54 o 6 4 0 23927.33 24092.46 407.84 o 8 4 0 6768.81 7008.48 153.33 o 10 4 0 3540.42 3701.62 175.41 o 12 4 0 11169.87 10502.93 224.95 o 14 4 0 8277.67 7908.48 256.74 o 16 4 0 774.17 771.35 126.06 o 18 4 0 392.54 251.44 51.56 o 1 5 0 14353.79 15214.28 275.01 o 3 5 0 18436.47 17556.76 536.99 o 5 5 0 20429.70 19663.91 771.69 o 7 5 0 14085.03 14647.83 303.41 o 9 5 0 5719.67 5443.92 91.99 o 11 5 0 5282.37 5135.19 103.53 o 13 5 0 4635.51 4238.89 133.67 o 15 5 0 1734.60 1776.47 168.83 o 17 5 0 995.19 1765.41 142.41 o 0 6 0 9469.44 10573.84 540.07 o 2 6 0 10232.54 10488.42 168.71 o 4 6 0 16517.33 17395.98 429.67 o 6 6 0 8359.96 8664.14 331.87 o 8 6 0 6774.35 7761.68 169.10 o 10 6 0 5747.17 5537.58 212.78 o 12 6 0 1060.14 975.36 156.79 o 14 6 0 385.48 321.35 103.21 o 16 6 0 1244.16 1126.54 110.90 o 1 7 0 18.71 147.31 61.51 o 3 7 0 2316.76 2067.58 66.06 o 5 7 0 5355.47 5581.26 116.09 o 7 7 0 12474.63 12667.09 206.06 o 9 7 0 10852.00 10481.96 190.38 o 11 7 0 1672.16 1968.18 235.23 o 13 7 0 96.03 251.19 66.21 o 15 7 0 382.99 562.92 265.44 o 0 8 0 376.90 292.25 62.57 o 2 8 0 4896.21 5128.35 253.58 o 4 8 0 5223.12 5112.75 104.59 o 6 8 0 7973.57 8339.71 399.30 o 8 8 0 5864.63 6033.40 668.77 o 10 8 0 2317.56 2062.02 230.36 o 12 8 0 54.47 112.40 181.43 o 14 8 0 22.73 70.03 49.17 o 1 9 0 2956.76 2928.49 141.98 o 3 9 0 3002.10 3164.80 129.02 o 5 9 0 3966.78 3880.92 208.06 o 7 9 0 1679.84 1522.66 210.16 o 9 9 0 697.22 574.85 160.31 o 11 9 0 360.95 690.54 313.20 o 0 10 0 148.26 196.53 72.02 o 2 10 0 430.25 490.33 112.05 o 4 10 0 2107.61 2003.14 303.65 o 6 10 0 1305.21 1144.67 257.10 o 8 10 0 505.78 226.80 71.87 o 1 11 0 180.32 225.70 55.52 o 3 11 0 1798.81 1632.93 97.21 o 5 11 0 1348.40 1765.11 337.00 o -19 1 1 8.69 9.17 36.10 o -17 1 1 40.35 9.15 46.95 o -15 1 1 192.51 281.87 60.20 o -13 1 1 543.57 468.22 77.54 o -11 1 1 889.18 875.18 64.70 o -9 1 1 745.56 1226.85 92.38 o -7 1 1 84.18 143.43 37.11 o -5 1 1 7562.52 7203.49 101.43 o -3 1 1 48765.55 49127.91 877.91 o 3 1 1 36175.76 36396.50 498.07 o 5 1 1 33521.79 31508.52 872.11 o 7 1 1 7.53 48.53 26.28 o 9 1 1 8456.56 8760.98 203.52 o 11 1 1 966.95 1317.28 160.20 o 13 1 1 886.64 626.83 102.61 o 15 1 1 277.73 239.76 71.82 o 17 1 1 104.73 152.83 125.00 o 19 1 1 0.30 -8.76 45.08 o -18 2 1 7.31 172.77 84.54 o -16 2 1 262.25 150.23 59.46 o -14 2 1 890.31 826.05 70.96 o -12 2 1 548.67 563.89 70.61 o -10 2 1 1571.82 1553.59 78.42 o -8 2 1 3796.10 4150.40 199.78 o -6 2 1 25669.40 25807.69 828.70 o -4 2 1 823.20 702.80 34.90 o -2 2 1 221.85 210.30 17.44 o 0 2 1 805.19 850.03 23.60 o 2 2 1 4959.24 4664.23 86.97 o 4 2 1 34359.54 34289.29 525.07 o 6 2 1 15191.93 16882.90 316.14 o 8 2 1 77.99 224.62 39.49 o 10 2 1 8303.33 8325.76 207.53 o 12 2 1 1381.73 1602.90 107.40 o 14 2 1 3445.23 3502.14 188.38 o 16 2 1 652.40 687.39 157.68 o 18 2 1 0.35 143.48 110.82 o -19 3 1 347.66 431.77 144.45 o -17 3 1 246.71 204.76 51.74 o -15 3 1 761.99 984.18 78.02 o -13 3 1 24.18 33.38 34.50 o -11 3 1 114.25 56.69 32.41 o -9 3 1 180.42 285.74 52.73 o -7 3 1 7588.25 7015.26 172.12 o -5 3 1 6527.96 7209.75 300.86 o -3 3 1 2270.70 2040.09 65.91 o -1 3 1 10765.95 10981.73 112.55 o 1 3 1 412.51 355.48 37.74 o 3 3 1 6355.63 6028.66 95.60 o 5 3 1 25084.76 26412.02 675.73 o 7 3 1 574.81 644.84 86.68 o 9 3 1 172.45 230.19 43.77 o 11 3 1 2026.39 1980.84 78.44 o 13 3 1 269.51 411.97 62.63 o 15 3 1 291.81 410.03 53.47 o 17 3 1 492.14 374.27 65.56 o 19 3 1 100.81 60.03 61.03 o -18 4 1 699.30 680.37 169.94 o -16 4 1 439.22 343.51 74.43 o -14 4 1 421.73 473.24 62.67 o -12 4 1 2238.95 2096.79 199.84 o -10 4 1 3938.19 4148.30 175.00 o -8 4 1 4311.11 4196.92 82.32 o -6 4 1 3436.13 3643.19 137.83 o -4 4 1 1826.42 1821.85 99.57 o -2 4 1 2218.86 2279.42 66.18 o 0 4 1 2380.79 2474.77 92.00 o 2 4 1 247.42 250.55 24.29 o 4 4 1 11321.66 12388.76 305.34 o 6 4 1 7867.79 7891.39 400.43 o 8 4 1 6600.14 6374.97 299.41 o 10 4 1 752.23 765.92 69.01 o 12 4 1 1673.97 1955.66 110.41 o 14 4 1 258.21 311.98 55.47 o 16 4 1 732.50 435.19 79.20 o 18 4 1 695.15 433.65 71.30 o -17 5 1 590.38 901.01 72.14 o -15 5 1 5.17 134.57 62.79 o -13 5 1 1.65 126.33 41.84 o -11 5 1 504.46 677.93 112.75 o -9 5 1 5308.72 5581.31 95.51 o -7 5 1 5607.17 5394.78 244.43 o -5 5 1 10.72 309.69 48.64 o -3 5 1 2.09 200.29 84.40 o -1 5 1 27473.60 28535.45 468.70 o 1 5 1 16605.67 16131.27 261.35 o 3 5 1 538.33 680.94 115.48 o 5 5 1 2225.42 2076.97 116.37 o 7 5 1 7010.62 7355.91 188.04 o 9 5 1 3564.73 3448.60 84.23 o 11 5 1 207.21 366.54 70.23 o 13 5 1 1095.55 1314.93 119.15 o 15 5 1 225.06 314.52 124.59 o 17 5 1 1631.30 1904.74 158.52 o -16 6 1 340.20 305.07 111.34 o -14 6 1 10.68 21.13 30.46 o -12 6 1 130.23 121.01 47.04 o -10 6 1 2852.23 3392.86 231.78 o -8 6 1 6051.49 5802.18 166.84 o -6 6 1 1126.71 1380.49 63.12 o -4 6 1 1121.51 1288.30 84.15 o -2 6 1 2223.99 2252.96 113.41 o 0 6 1 11487.76 11977.33 164.39 o 2 6 1 2850.82 3447.15 98.65 o 4 6 1 4341.99 4739.95 130.57 o 6 6 1 4372.60 4670.66 254.05 o 8 6 1 5884.97 6331.64 338.79 o 10 6 1 33.57 62.41 35.74 o 12 6 1 4.14 70.99 41.33 o 14 6 1 305.14 354.23 111.46 o 16 6 1 1020.16 860.34 177.82 o -15 7 1 437.12 382.30 237.53 o -13 7 1 239.90 486.55 90.92 o -11 7 1 760.10 1127.02 131.44 o -9 7 1 4690.38 4629.01 317.83 o -7 7 1 3742.68 4729.64 341.76 o -5 7 1 1522.72 1444.77 66.41 o -3 7 1 24.99 51.09 28.87 o -1 7 1 5111.60 4967.67 91.76 o 1 7 1 2001.24 2241.60 115.26 o 3 7 1 1174.22 1131.16 74.73 o 5 7 1 4012.76 4614.83 337.87 o 7 7 1 2882.89 3526.07 202.39 o 9 7 1 646.12 920.73 107.74 o 11 7 1 220.28 291.76 111.95 o 13 7 1 677.19 925.02 141.78 o 15 7 1 579.76 671.93 96.14 o -14 8 1 1246.51 1332.86 170.77 o -12 8 1 306.72 335.69 290.91 o -10 8 1 343.42 482.19 289.27 o -8 8 1 1428.15 2298.71 589.98 o -6 8 1 4267.38 4773.91 486.37 o -4 8 1 6591.88 6394.38 203.37 o -2 8 1 2819.15 2778.95 139.62 o 0 8 1 11.39 17.67 25.29 o 2 8 1 1100.20 1554.62 186.08 o 4 8 1 3235.89 3328.88 107.38 o 6 8 1 1527.89 1735.79 116.16 o 8 8 1 1814.23 2235.32 274.80 o 10 8 1 1157.79 969.16 149.63 o 12 8 1 1453.19 1301.18 233.53 o 14 8 1 1462.33 1776.09 361.33 o -11 9 1 637.24 1075.00 260.11 o -9 9 1 19.60 42.52 46.76 o -7 9 1 165.06 101.28 55.25 o -5 9 1 2045.51 2001.60 102.37 o -3 9 1 4423.35 4763.34 128.72 o -1 9 1 4023.58 3883.13 94.94 o 1 9 1 1835.05 2045.97 107.43 o 3 9 1 876.97 891.26 112.51 o 5 9 1 1364.02 1536.42 152.74 o 7 9 1 446.96 440.32 80.94 o 9 9 1 597.26 894.70 293.83 o 11 9 1 1930.71 2012.44 558.54 o -8 10 1 9.73 -29.96 45.98 o -6 10 1 843.84 739.75 120.52 o -4 10 1 3517.34 3825.71 204.28 o -2 10 1 2866.72 2711.80 188.43 o 0 10 1 1874.13 1698.82 111.72 o 2 10 1 1375.99 1290.12 140.22 o 4 10 1 1351.19 1334.06 111.11 o 6 10 1 350.18 360.77 149.65 o 8 10 1 604.35 249.80 136.88 o -5 11 1 375.17 602.21 285.83 o -3 11 1 1897.70 1705.27 97.36 o -1 11 1 3215.42 3426.32 224.28 o 1 11 1 1649.35 1541.91 168.97 o 3 11 1 224.69 136.12 52.87 o 5 11 1 14.28 122.25 61.82 o -20 0 2 590.81 209.01 127.85 o -18 0 2 1417.24 1596.71 233.97 o -16 0 2 4778.91 5111.73 410.79 o -14 0 2 5083.14 5795.71 255.03 o -12 0 2 11136.40 11934.55 289.06 o -10 0 2 6930.13 7136.37 201.90 o -8 0 2 448.15 778.50 117.48 o -6 0 2 134.19 204.71 83.33 o -4 0 2 140.73 269.59 72.13 o 4 0 2 4300.75 4700.18 74.72 o 6 0 2 66464.66 67235.62 1222.98 o 8 0 2 69905.81 70424.22 1413.49 o 10 0 2 45898.93 48725.61 808.09 o 12 0 2 10621.95 9875.18 265.77 o 14 0 2 361.46 142.14 72.13 o 16 0 2 450.29 802.53 115.69 o 18 0 2 3628.38 3747.16 157.46 o -19 1 2 846.20 606.46 101.00 o -17 1 2 3431.70 2699.11 119.58 o -15 1 2 9790.70 9327.72 532.48 o -13 1 2 8564.13 8272.77 391.21 o -11 1 2 9088.18 9128.20 188.60 o -9 1 2 7195.55 6890.06 86.79 o -7 1 2 5683.25 5493.56 159.48 o -5 1 2 6929.92 7196.80 80.35 o -3 1 2 22113.45 21023.89 365.83 o 1 1 2 1651.99 34.98 21.96 o 3 1 2 58713.73 59890.60 1314.56 o 5 1 2 885.17 824.18 37.67 o 7 1 2 82756.84 86439.70 887.03 o 9 1 2 42111.11 40905.00 610.27 o 11 1 2 11556.26 12219.33 299.05 o 13 1 2 1688.17 1728.20 111.40 o 15 1 2 74.75 45.75 59.48 o 17 1 2 3277.05 3541.81 162.93 o 19 1 2 1500.85 1495.65 210.25 o -18 2 2 757.01 1213.50 122.76 o -16 2 2 6366.84 6494.23 286.37 o -14 2 2 4494.91 4342.68 194.09 o -12 2 2 11101.62 11095.70 346.63 o -10 2 2 9763.46 9961.87 183.16 o -8 2 2 13656.38 13970.83 579.18 o -6 2 2 11140.81 10865.55 331.14 o -4 2 2 11560.24 11866.74 293.45 o -2 2 2 49041.24 49142.62 394.79 o 0 2 2 7444.18 7472.12 46.29 o 2 2 2 29962.33 29914.75 528.52 o 4 2 2 23161.93 22734.08 223.60 o 6 2 2 26196.84 28619.68 164.52 o 8 2 2 18020.17 17301.28 529.83 o 10 2 2 10470.19 10557.63 260.11 o 12 2 2 9921.59 9967.58 334.72 o 14 2 2 1406.16 1701.87 103.60 o 16 2 2 1522.48 1357.19 207.87 o 18 2 2 1191.14 751.34 104.93 o -19 3 2 314.11 441.28 72.63 o -17 3 2 684.60 445.62 55.49 o -15 3 2 7147.52 7509.28 264.79 o -13 3 2 1102.64 1273.25 179.39 o -11 3 2 2039.98 1946.41 126.42 o -9 3 2 4468.79 4370.96 179.84 o -7 3 2 23774.68 25034.45 604.26 o -5 3 2 36848.07 36254.58 378.50 o -3 3 2 24769.41 23859.39 124.48 o -1 3 2 992.30 855.20 31.92 o 1 3 2 3016.11 3301.17 47.26 o 3 3 2 70623.90 74593.54 2364.45 o 5 3 2 34680.25 37356.25 922.30 o 7 3 2 7214.57 6959.59 134.07 o 9 3 2 8126.31 7667.43 94.33 o 11 3 2 7450.19 7688.03 216.16 o 13 3 2 11040.64 10876.06 257.88 o 15 3 2 2941.23 2928.65 135.12 o 17 3 2 1006.22 706.91 137.67 o 19 3 2 694.81 774.01 92.08 o -18 4 2 282.16 222.97 64.04 o -16 4 2 1473.12 1528.86 96.69 o -14 4 2 6937.22 7094.67 116.72 o -12 4 2 7618.10 7789.01 259.84 o -10 4 2 1164.07 1318.87 134.55 o -8 4 2 3850.33 4033.88 150.05 o -6 4 2 15534.08 14922.09 260.90 o -4 4 2 5220.05 5004.34 82.43 o -2 4 2 8924.29 8162.06 75.40 o 0 4 2 8915.58 9211.59 191.13 o 2 4 2 38789.12 40248.66 1018.93 o 4 4 2 27939.81 28656.97 529.59 o 6 4 2 13254.04 13344.75 359.00 o 8 4 2 2183.15 2464.81 173.99 o 10 4 2 3291.97 3123.33 83.45 o 12 4 2 16704.01 16240.42 179.93 o 14 4 2 5371.37 5367.55 234.91 o 16 4 2 990.68 917.90 67.67 o 18 4 2 399.91 299.04 63.22 o -17 5 2 542.09 600.99 75.75 o -15 5 2 920.29 978.59 140.65 o -13 5 2 2692.86 2630.38 151.97 o -11 5 2 3112.14 3477.77 204.42 o -9 5 2 3885.46 4134.69 203.34 o -7 5 2 8998.33 9310.62 168.23 o -5 5 2 11690.51 12084.26 223.32 o -3 5 2 10294.17 10972.86 194.90 o -1 5 2 10531.01 11006.94 273.00 o 1 5 2 4128.00 4284.72 156.93 o 3 5 2 18163.24 17844.01 243.65 o 5 5 2 13494.61 13326.22 225.61 o 7 5 2 8420.46 8746.41 348.77 o 9 5 2 1165.88 1063.27 64.53 o 11 5 2 5983.48 5995.37 297.92 o 13 5 2 5307.77 5630.52 246.44 o 15 5 2 2885.19 2889.97 178.88 o 17 5 2 1109.49 1337.65 112.76 o -16 6 2 4.48 30.41 52.63 o -14 6 2 2.25 -7.13 30.79 o -12 6 2 800.28 843.78 97.35 o -10 6 2 5964.30 6372.44 422.56 o -8 6 2 9044.56 9143.67 161.56 o -6 6 2 9240.16 9393.25 232.52 o -4 6 2 7606.04 8165.54 113.55 o -2 6 2 4884.67 5056.84 155.87 o 0 6 2 11221.03 11445.63 286.36 o 2 6 2 8856.91 9458.89 171.83 o 4 6 2 5334.02 5658.41 224.18 o 6 6 2 4269.62 3962.90 129.55 o 8 6 2 4067.80 4939.99 157.07 o 10 6 2 3276.46 2851.88 195.71 o 12 6 2 1024.08 950.73 71.02 o 14 6 2 2661.55 3127.56 229.41 o 16 6 2 2481.81 2274.26 214.78 o -15 7 2 157.58 82.65 103.94 o -13 7 2 1.84 90.66 48.46 o -11 7 2 6437.95 6954.87 601.90 o -9 7 2 14725.91 14979.40 313.57 o -7 7 2 5973.95 6497.64 367.83 o -5 7 2 170.08 131.59 40.14 o -3 7 2 1630.40 1553.64 89.80 o -1 7 2 2700.72 2922.56 161.03 o 1 7 2 9129.50 9796.43 151.17 o 3 7 2 5609.44 5723.24 96.76 o 5 7 2 5297.70 5753.20 401.70 o 7 7 2 3288.80 3720.24 156.43 o 9 7 2 2110.53 2065.79 128.17 o 11 7 2 74.96 118.49 139.38 o 13 7 2 474.63 752.99 117.36 o 15 7 2 2790.69 2930.26 163.32 o -14 8 2 41.74 29.73 53.91 o -12 8 2 556.06 606.88 421.04 o -10 8 2 4282.26 4678.96 154.33 o -8 8 2 6564.25 6952.86 749.66 o -6 8 2 745.85 855.58 98.82 o -4 8 2 3.02 126.93 64.91 o -2 8 2 422.68 546.84 58.68 o 0 8 2 6782.59 6632.63 135.20 o 2 8 2 9612.63 9572.55 276.81 o 4 8 2 3293.11 3260.72 113.05 o 6 8 2 1622.64 1695.53 118.38 o 8 8 2 1869.54 2449.24 196.50 o 10 8 2 416.33 165.66 50.17 o 12 8 2 405.11 379.47 86.48 o 14 8 2 1712.04 2266.39 574.13 o -11 9 2 566.68 1096.44 272.13 o -9 9 2 1053.22 934.23 84.76 o -7 9 2 1415.92 1270.11 100.78 o -5 9 2 923.67 1087.03 84.39 o -3 9 2 130.77 311.35 57.64 o -1 9 2 1851.48 1809.50 96.05 o 1 9 2 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