#------------------------------------------------------------------------------ #$Date: 2016-04-02 21:31:24 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180787 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/18/2011832.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_2011832_Fobs loop_ _publ_author_name 'Lin, Bi-Zhou' 'Liu, Shi-Xiong' _publ_section_title ; Polymeric bis[bis(2,2'-bipyridine)nickel(II)] hexavanadate(V) ; _journal_issue 3 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 243 _journal_page_last 245 _journal_volume 57 _journal_year 2001 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _exptl_crystal_F_000 1316.00 _cod_data_source_file ta1302Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 93 in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 404.63 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries 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 46490.56 26905.88 1352.73 o 3 0 0 113.66 72.20 7.76 o 4 0 0 827.98 564.60 42.25 o 5 0 0 34656.30 24024.51 1206.66 o 6 0 0 12638.39 8844.71 449.56 o 7 0 0 11.44 2.74 37.00 o 8 0 0 96.38 91.53 14.44 o 9 0 0 2450.55 2072.12 121.73 o 10 0 0 221.84 -52.51 61.70 o 11 0 0 6449.57 5443.61 293.82 o 12 0 0 9997.37 9016.20 473.07 o 13 0 0 13204.89 13135.13 677.62 o 14 0 0 2951.69 3185.45 195.96 o 15 0 0 67.62 55.61 74.23 o 16 0 0 5.80 9.07 77.45 o 17 0 0 8.56 -89.63 92.37 o 18 0 0 1235.05 1715.29 143.21 o 19 0 0 167.05 169.70 34.01 o 1 1 0 15712.33 17645.27 887.66 o 2 1 0 790.28 810.80 45.47 o 3 1 0 17680.67 14882.29 747.55 o 4 1 0 34954.66 28417.57 1425.17 o 5 1 0 6384.76 5118.17 263.03 o 6 1 0 2911.34 2207.81 121.97 o 7 1 0 715.89 720.46 56.45 o 8 1 0 2307.33 2143.48 122.56 o 9 1 0 744.22 602.67 62.42 o 10 1 0 788.45 592.77 65.88 o 11 1 0 1687.40 1423.50 104.07 o 12 1 0 830.16 882.17 85.69 o 13 1 0 297.31 295.97 32.94 o 14 1 0 582.16 678.81 68.26 o 15 1 0 226.55 290.83 32.34 o 16 1 0 7.49 14.92 80.91 o 17 1 0 1305.54 1590.10 135.81 o 18 1 0 477.12 617.11 67.67 o 19 1 0 475.06 585.01 63.73 o 0 2 0 26029.54 31499.54 1582.82 o 1 2 0 7562.71 9186.38 461.85 o 2 2 0 4.45 -24.70 20.17 o 3 2 0 85.59 109.79 11.58 o 4 2 0 258.40 330.22 29.12 o 5 2 0 527.17 435.83 43.80 o 6 2 0 3788.48 2863.94 153.71 o 7 2 0 6349.00 5164.24 268.28 o 8 2 0 4063.60 3216.48 174.83 o 9 2 0 1418.81 1207.73 84.73 o 10 2 0 1955.09 1800.38 114.45 o 11 2 0 94.92 58.36 19.93 o 12 2 0 1443.50 1231.12 101.92 o 13 2 0 2237.53 2108.16 140.34 o 14 2 0 1204.21 1278.50 111.35 o 15 2 0 21.99 -27.21 74.59 o 16 2 0 1449.66 1742.62 133.66 o 17 2 0 53.17 62.65 86.16 o 18 2 0 282.97 377.83 42.13 o 19 2 0 1259.96 1894.30 157.53 o 1 3 0 3162.92 3537.98 181.64 o 2 3 0 86585.86 97605.80 4894.29 o 3 3 0 1285.72 1340.44 77.45 o 4 3 0 6205.54 6604.56 337.02 o 5 3 0 1618.38 1480.18 87.36 o 6 3 0 0.95 -14.32 37.23 o 7 3 0 2927.23 2539.45 140.94 o 8 3 0 18.20 20.41 46.78 o 9 3 0 25.95 31.98 37.23 o 10 3 0 8349.37 7238.74 377.24 o 11 3 0 1761.17 1472.91 107.17 o 12 3 0 3689.16 3378.06 195.12 o 13 3 0 408.18 400.75 40.22 o 14 3 0 275.96 309.45 32.22 o 15 3 0 1429.30 1462.28 120.77 o 16 3 0 388.37 467.46 48.45 o 17 3 0 46.90 74.71 88.67 o 18 3 0 277.13 324.61 35.21 o 0 4 0 2447.07 2771.09 145.72 o 1 4 0 5705.47 6622.82 336.78 o 2 4 0 9446.55 10937.95 552.43 o 3 4 0 1362.68 1581.86 90.58 o 4 4 0 121.81 131.51 14.44 o 5 4 0 1012.56 1099.96 71.72 o 6 4 0 55.96 70.89 13.25 o 7 4 0 1486.58 1618.50 100.01 o 8 4 0 135.61 68.02 16.23 o 9 4 0 6051.88 5713.80 300.98 o 10 4 0 973.96 849.83 82.23 o 11 4 0 1512.74 1424.09 104.66 o 12 4 0 384.09 442.16 48.21 o 13 4 0 1264.26 1192.93 105.02 o 14 4 0 848.62 885.27 76.14 o 15 4 0 1677.83 1550.95 125.19 o 16 4 0 88.46 72.32 26.25 o 17 4 0 161.21 203.48 30.55 o 18 4 0 173.45 198.70 33.30 o 1 5 0 11982.71 13381.45 675.23 o 2 5 0 346.23 375.45 33.06 o 3 5 0 19525.39 20782.73 1045.78 o 4 5 0 120.97 82.58 12.77 o 5 5 0 991.21 1016.07 71.01 o 6 5 0 2374.10 2344.93 132.23 o 7 5 0 3514.99 3767.47 202.88 o 8 5 0 14.04 41.29 52.39 o 9 5 0 8709.61 8665.46 448.36 o 10 5 0 8562.95 8365.44 435.24 o 11 5 0 1143.99 973.22 93.92 o 12 5 0 522.46 468.41 45.59 o 13 5 0 221.15 171.37 26.02 o 14 5 0 233.36 65.64 78.88 o 15 5 0 1545.09 1573.03 127.10 o 16 5 0 442.03 456.24 46.30 o 17 5 0 2.78 -157.77 89.98 o 18 5 0 47.31 -37.59 99.89 o 0 6 0 8205.91 9220.63 468.77 o 1 6 0 1017.23 1326.83 82.11 o 2 6 0 8953.01 9452.51 480.82 o 3 6 0 1992.81 2321.54 129.48 o 4 6 0 7039.47 7421.45 381.17 o 5 6 0 586.65 665.68 59.07 o 6 6 0 35.92 13.49 19.69 o 7 6 0 1.55 11.22 52.51 o 8 6 0 4078.78 4341.74 234.62 o 9 6 0 2082.07 1953.49 126.38 o 10 6 0 3108.76 3256.57 187.25 o 11 6 0 1370.94 1657.53 117.43 o 12 6 0 119.93 143.09 24.82 o 13 6 0 570.46 593.96 57.64 o 14 6 0 306.83 274.96 29.24 o 15 6 0 695.08 638.59 71.01 o 16 6 0 454.84 437.15 47.26 o 17 6 0 336.55 338.93 36.04 o 18 6 0 1.48 -22.44 102.28 o 1 7 0 143.62 142.25 15.28 o 2 7 0 4509.41 5130.70 267.44 o 3 7 0 3674.88 3839.67 204.67 o 4 7 0 2562.71 2284.78 131.27 o 5 7 0 1289.23 1340.44 89.63 o 6 7 0 4285.37 4210.70 226.75 o 7 7 0 2731.21 3290.82 183.07 o 8 7 0 13.06 30.43 62.06 o 9 7 0 6612.97 7270.48 381.65 o 10 7 0 1332.72 1422.19 110.99 o 11 7 0 992.27 1046.86 100.84 o 12 7 0 10.19 50.72 78.53 o 13 7 0 707.80 786.81 74.11 o 14 7 0 1.81 32.34 54.90 o 15 7 0 61.62 -7.88 85.57 o 16 7 0 522.00 508.99 54.66 o 17 7 0 282.12 450.03 48.81 o 0 8 0 1159.48 1464.91 94.52 o 1 8 0 100.73 140.23 16.71 o 2 8 0 379.66 350.86 34.85 o 3 8 0 10278.35 11637.17 593.12 o 4 8 0 6216.04 6314.21 329.14 o 5 8 0 10134.45 10835.44 554.82 o 6 8 0 113.78 126.02 19.57 o 7 8 0 189.53 219.47 23.75 o 8 8 0 11093.18 12119.42 622.36 o 9 8 0 104.40 -19.09 72.56 o 10 8 0 7310.73 7658.58 404.92 o 11 8 0 347.67 387.62 41.29 o 12 8 0 429.29 524.26 56.33 o 13 8 0 167.02 182.95 26.25 o 14 8 0 2.57 12.41 81.87 o 15 8 0 74.37 55.02 90.46 o 16 8 0 11.09 65.04 91.42 o 17 8 0 994.64 1166.92 125.90 o 1 9 0 5731.37 6237.11 325.44 o 2 9 0 1601.03 1662.30 104.42 o 3 9 0 1181.93 1304.04 88.91 o 4 9 0 175.18 184.38 20.41 o 5 9 0 3.51 21.84 29.72 o 6 9 0 2.31 29.48 31.27 o 7 9 0 1668.74 1636.40 111.82 o 8 9 0 2006.46 2218.31 140.58 o 9 9 0 1053.53 1243.41 99.17 o 10 9 0 1614.73 1668.39 122.21 o 11 9 0 393.98 401.10 39.62 o 12 9 0 2243.93 2338.96 156.22 o 13 9 0 21.10 27.21 79.72 o 14 9 0 898.34 990.89 106.81 o 15 9 0 27.44 21.72 65.04 o 16 9 0 333.32 397.05 42.96 o 0 10 0 1129.06 1171.09 86.88 o 1 10 0 1979.78 2174.27 130.68 o 2 10 0 1116.29 1048.89 82.35 o 3 10 0 2395.90 2629.44 153.59 o 4 10 0 19.32 23.15 24.35 o 5 10 0 18.11 27.33 57.40 o 6 10 0 4358.55 4369.07 241.31 o 7 10 0 2435.52 2427.39 150.25 o 8 10 0 1322.78 1386.26 109.67 o 9 10 0 73.84 59.91 22.44 o 10 10 0 525.37 583.58 63.61 o 11 10 0 3614.44 3809.24 224.48 o 12 10 0 371.95 406.24 42.72 o 13 10 0 348.20 367.93 39.98 o 14 10 0 0.29 -67.07 88.31 o 15 10 0 0.46 30.79 95.23 o 16 10 0 177.98 57.76 72.56 o 1 11 0 2692.92 3045.82 174.60 o 2 11 0 5794.91 5662.13 303.25 o 3 11 0 68.37 33.53 59.55 o 4 11 0 573.52 697.07 75.78 o 5 11 0 3757.16 3972.74 223.05 o 6 11 0 1652.79 1654.06 119.94 o 7 11 0 7023.60 7462.50 396.93 o 8 11 0 5621.28 5566.30 306.71 o 9 11 0 926.88 1133.02 101.32 o 10 11 0 1.02 -52.63 73.39 o 11 11 0 554.13 533.45 57.64 o 12 11 0 14.27 59.43 83.42 o 13 11 0 417.13 462.09 48.33 o 14 11 0 475.77 460.66 50.72 o 15 11 0 250.84 224.48 34.49 o 0 12 0 9662.85 9974.75 518.30 o 1 12 0 84.49 43.80 46.54 o 2 12 0 871.44 838.13 86.52 o 3 12 0 75.56 42.13 65.52 o 4 12 0 231.31 204.67 23.99 o 5 12 0 1330.48 1196.51 105.38 o 6 12 0 0.93 19.93 48.81 o 7 12 0 382.26 338.81 35.80 o 8 12 0 3.61 20.29 74.83 o 9 12 0 9.84 27.09 75.30 o 10 12 0 53.69 -11.93 84.25 o 11 12 0 193.08 229.25 30.07 o 12 12 0 2.19 -83.42 91.42 o 13 12 0 123.53 62.89 100.37 o 14 12 0 173.48 103.23 32.34 o 1 13 0 11038.85 11039.75 574.86 o 2 13 0 23.18 23.27 26.02 o 3 13 0 999.97 1108.32 100.13 o 4 13 0 1647.27 1643.80 120.89 o 5 13 0 4244.23 4327.42 245.72 o 6 13 0 136.21 113.14 24.58 o 7 13 0 2395.48 2358.18 158.13 o 8 13 0 1599.92 1602.51 127.34 o 9 13 0 10.16 13.37 82.46 o 10 13 0 1241.17 1129.92 120.89 o 11 13 0 983.13 1233.63 120.65 o 12 13 0 1465.47 1572.79 143.33 o 13 13 0 1017.81 1035.76 97.02 o 0 14 0 1987.07 2099.21 144.16 o 1 14 0 307.07 246.20 29.12 o 2 14 0 65.69 -33.77 76.74 o 3 14 0 1.16 51.32 73.39 o 4 14 0 216.45 184.14 26.37 o 5 14 0 113.08 46.66 56.45 o 6 14 0 666.17 649.81 69.93 o 7 14 0 77.49 2.98 83.42 o 8 14 0 0.28 -128.65 87.72 o 9 14 0 16.66 -21.48 88.91 o 10 14 0 22.04 29.72 34.97 o 11 14 0 252.54 332.13 35.68 o 12 14 0 562.57 699.34 72.56 o 1 15 0 1686.21 1577.93 129.13 o 2 15 0 725.40 715.81 72.80 o 3 15 0 18.48 71.49 82.94 o 4 15 0 34.91 48.09 57.04 o 5 15 0 19.68 -9.43 84.85 o 6 15 0 33.26 12.41 87.24 o 7 15 0 19.04 8.12 88.55 o 8 15 0 758.31 834.31 84.14 o 9 15 0 172.13 14.68 101.08 o 10 15 0 248.52 231.52 34.85 o 0 16 0 19.62 78.41 87.60 o 1 16 0 377.20 395.97 41.89 o 2 16 0 1252.28 1143.52 118.15 o 3 16 0 116.77 126.26 29.12 o 4 16 0 587.27 701.84 66.11 o 5 16 0 859.68 804.00 82.58 o 6 16 0 125.36 24.94 95.71 o 7 16 0 11.32 -90.94 100.25 o 8 16 0 558.45 623.20 61.94 o 9 16 0 77.43 183.19 33.18 o 1 17 0 140.52 1.55 98.10 o 2 17 0 460.32 368.41 40.34 o 3 17 0 106.20 95.11 97.38 o 4 17 0 497.04 384.52 41.41 o 5 17 0 167.81 72.68 102.99 o 6 17 0 59.45 -45.35 97.02 o 0 18 0 1564.87 1348.31 145.00 o 1 18 0 287.18 253.72 36.40 o 2 18 0 2503.72 2415.94 181.76 o -19 1 1 10.37 -53.94 100.96 o -18 1 1 1297.67 1519.45 140.94 o -17 1 1 319.44 421.87 46.30 o -16 1 1 354.21 372.82 39.38 o -15 1 1 427.80 501.71 51.32 o -14 1 1 1311.18 1438.42 108.60 o -13 1 1 6.83 33.42 65.76 o -12 1 1 8494.90 7970.90 417.34 o -11 1 1 2234.21 1886.42 119.46 o -10 1 1 800.47 730.60 65.64 o -9 1 1 280.70 228.30 22.79 o -8 1 1 842.35 657.93 55.37 o -7 1 1 99.44 90.58 11.70 o -6 1 1 2307.09 1684.14 95.11 o -5 1 1 4451.27 3490.24 181.88 o -4 1 1 5705.32 5082.61 259.69 o -3 1 1 12313.53 11326.05 570.09 o -2 1 1 305.08 300.86 23.27 o -1 1 1 16531.02 17936.93 904.48 o 0 1 1 507.24 691.82 37.83 o 1 1 1 38272.59 43208.20 2168.07 o 2 1 1 4.54 14.44 15.63 o 3 1 1 667.73 735.62 44.99 o 4 1 1 547.53 503.98 38.91 o 5 1 1 1429.19 1195.44 70.77 o 6 1 1 280.36 200.02 21.36 o 7 1 1 39.10 34.73 10.74 o 8 1 1 2964.37 2169.14 122.32 o 9 1 1 469.02 473.19 51.08 o 10 1 1 5431.36 4967.33 263.27 o 11 1 1 772.88 682.03 71.01 o 12 1 1 416.46 346.57 35.68 o 13 1 1 1629.45 1633.54 115.52 o 14 1 1 1591.75 1625.90 119.10 o 15 1 1 110.20 116.60 23.87 o 16 1 1 127.05 111.70 26.61 o 17 1 1 1294.31 1688.20 136.53 o 18 1 1 271.39 387.26 41.77 o 19 1 1 47.32 98.34 32.58 o -19 2 1 31.77 57.76 100.13 o -18 2 1 2.13 -95.11 95.59 o -17 2 1 1.04 -82.35 88.43 o -16 2 1 5.68 -48.81 80.20 o -15 2 1 346.84 351.22 38.79 o -14 2 1 1229.60 1229.45 104.07 o -13 2 1 1165.76 1130.28 96.07 o -12 2 1 765.68 826.32 80.56 o -11 2 1 474.65 446.10 47.14 o -10 2 1 1468.48 1177.89 84.85 o -9 2 1 327.49 287.61 30.19 o -8 2 1 7495.52 5816.91 302.17 o -7 2 1 27.81 26.25 34.13 o -6 2 1 103.96 101.80 11.46 o -5 2 1 457.19 440.61 39.38 o -4 2 1 505.10 419.36 37.35 o -3 2 1 1221.93 1361.32 75.54 o -2 2 1 9171.58 10283.01 517.58 o -1 2 1 32929.31 36737.18 1847.04 o 0 2 1 5371.34 5749.84 290.36 o 1 2 1 11306.05 12734.86 639.67 o 2 2 1 1676.76 1884.75 99.41 o 3 2 1 8458.17 9099.38 459.46 o 4 2 1 9174.28 8998.06 455.40 o 5 2 1 15079.75 14221.26 717.24 o 6 2 1 2281.04 2249.69 123.04 o 7 2 1 3979.49 3254.66 174.00 o 8 2 1 2261.97 2041.09 117.67 o 9 2 1 129.13 114.69 14.92 o 10 2 1 2304.98 1730.80 109.91 o 11 2 1 1076.61 956.40 80.67 o 12 2 1 368.06 312.20 31.86 o 13 2 1 838.71 800.18 82.46 o 14 2 1 44.69 19.33 68.98 o 15 2 1 12.11 -44.16 72.92 o 16 2 1 96.35 137.24 26.37 o 17 2 1 1148.42 1589.62 132.11 o 18 2 1 117.63 128.53 31.03 o -18 3 1 269.13 340.72 36.28 o -17 3 1 4.16 40.58 62.06 o -16 3 1 21.09 34.49 79.96 o -15 3 1 145.92 173.88 25.78 o -14 3 1 20.13 -47.86 68.86 o -13 3 1 438.55 438.10 45.71 o -12 3 1 0.89 34.73 59.55 o -11 3 1 16700.92 14027.68 717.48 o -10 3 1 639.48 537.87 47.98 o -9 3 1 13638.86 12249.51 624.75 o -8 3 1 1221.05 1230.05 81.27 o -7 3 1 18568.30 17175.78 867.73 o -6 3 1 1325.70 1247.83 76.38 o -5 3 1 4940.50 4623.86 239.04 o -4 3 1 590.92 648.26 47.14 o -3 3 1 2690.55 3146.18 163.86 o -2 3 1 17.23 19.33 24.70 o -1 3 1 845.61 921.31 53.82 o 0 3 1 23380.73 26985.96 1362.51 o 1 3 1 23842.29 26306.43 1319.07 o 2 3 1 64439.47 73128.15 3671.76 o 3 3 1 30352.70 33540.99 1681.87 o 4 3 1 15917.64 16336.69 822.62 o 5 3 1 7392.97 7207.47 367.81 o 6 3 1 2961.13 2681.47 144.52 o 7 3 1 21056.28 19520.59 984.92 o 8 3 1 7277.55 6639.89 343.82 o 9 3 1 8607.03 7838.90 405.28 o 10 3 1 4929.31 4437.45 238.68 o 11 3 1 1.50 -29.84 57.04 o 12 3 1 394.20 324.61 35.56 o 13 3 1 0.93 42.60 63.73 o 14 3 1 4281.61 4131.58 234.86 o 15 3 1 301.11 287.25 31.03 o 16 3 1 1174.12 1479.95 123.16 o 17 3 1 369.55 430.34 46.90 o 18 3 1 208.64 337.85 35.21 o 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70.41 o 15 4 1 295.66 337.02 36.88 o 16 4 1 472.81 527.13 57.40 o 17 4 1 12.59 66.83 28.05 o 18 4 1 212.71 227.58 32.94 o -18 5 1 40.85 48.45 96.31 o -17 5 1 99.59 38.79 91.89 o -16 5 1 1186.78 1267.88 119.58 o -15 5 1 528.19 555.65 56.33 o -14 5 1 1598.08 1386.62 115.64 o -13 5 1 11.23 -5.01 66.71 o -12 5 1 722.60 709.48 61.70 o -11 5 1 15.94 30.43 61.82 o -10 5 1 2354.85 2491.24 148.46 o -9 5 1 9.10 -20.65 50.96 o -8 5 1 232.90 296.68 31.63 o -7 5 1 2622.30 2815.49 155.74 o -6 5 1 2254.76 2440.76 135.69 o -5 5 1 94.91 72.32 11.93 o -4 5 1 510.04 662.70 51.08 o -3 5 1 4163.45 4373.84 226.99 o -2 5 1 1370.52 1481.38 85.45 o -1 5 1 10508.42 11263.27 569.49 o 0 5 1 94.74 107.53 11.58 o 1 5 1 2289.16 2403.05 129.37 o 2 5 1 545.22 698.98 50.72 o 3 5 1 6338.88 6867.47 351.22 o 4 5 1 676.59 697.55 53.11 o 5 5 1 32.34 31.63 11.34 o 6 5 1 2456.45 2600.56 143.21 o 7 5 1 6810.60 7361.18 379.98 o 8 5 1 2013.30 1942.51 116.36 o 9 5 1 153.53 155.26 18.26 o 10 5 1 8430.12 8070.31 421.03 o 11 5 1 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