#------------------------------------------------------------------------------ #$Date: 2016-04-02 20:32:55 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180756 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/00/77/2007710.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_2007710_Fobs loop_ _publ_author_name 'Erragh, F.' 'Boukhari, A.' 'Sadel, A.' 'Holt, E. M.' _publ_section_title ; Disodium Zinc Pyrophosphate and Disodium (Europium) Zinc Pyrophosphate ; _journal_issue 10 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 1373 _journal_page_last 1376 _journal_volume 54 _journal_year 1998 _space_group_IT_number 136 _symmetry_space_group_name_Hall '-P 4n 2n' _symmetry_space_group_name_H-M 'P 42/m n m' _cod_data_source_file br1194Isup3.hkl _cod_data_source_block I 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 1 0 685.25 658.59 17.84 o 0 2 0 3557.02 3193.50 132.88 o 1 2 0 5739.68 5717.21 235.94 o 2 2 0 9432.92 7982.45 151.34 o 1 3 0 17971.38 15319.29 568.90 o 2 3 0 478.32 367.68 62.56 o 3 3 0 1034.66 977.67 40.97 o 0 4 0 447.92 441.46 16.52 o 1 4 0 1546.79 1584.05 52.90 o 2 4 0 11212.08 9782.17 151.96 o 3 4 0 213.76 185.94 13.48 o 4 4 0 22078.62 18368.87 344.69 o 1 5 0 9093.65 8577.05 260.67 o 2 5 0 3531.06 3204.43 99.17 o 3 5 0 2169.07 2040.33 72.24 o 4 5 0 100.13 119.00 21.58 o 5 5 0 149.97 180.14 22.65 o 0 6 0 10118.22 9750.12 182.37 o 1 6 0 2829.45 2727.47 51.77 o 2 6 0 2508.23 2254.87 61.84 o 3 6 0 1195.26 1044.19 53.63 o 4 6 0 290.13 281.07 20.07 o 5 6 0 628.41 630.70 58.38 o 6 6 0 1263.70 1194.63 58.70 o 1 7 0 23.61 35.43 9.82 o 2 7 0 113.41 91.82 15.99 o 3 7 0 5898.28 5077.06 157.66 o 4 7 0 38.00 14.87 21.06 o 5 7 0 2767.20 2837.98 169.45 o 6 7 0 0.03 -19.79 19.79 o 7 7 0 36.48 0.00 25.88 o 0 8 0 3958.55 4251.53 241.70 o 1 8 0 210.67 234.73 15.34 o 2 8 0 994.18 918.52 40.01 o 3 8 0 67.88 64.75 33.19 o 4 8 0 20.08 11.13 15.22 o 5 8 0 132.13 140.31 18.85 o 6 8 0 1402.90 1436.58 52.97 o 7 8 0 6.07 8.99 13.19 o 1 9 0 723.94 709.48 32.41 o 2 9 0 532.30 489.69 32.79 o 3 9 0 1223.10 1278.74 45.81 o 4 9 0 278.79 221.53 24.88 o 5 9 0 513.77 514.59 35.06 o 0 10 0 92.61 78.47 19.19 o 1 10 0 223.84 324.04 27.79 o 2 10 0 557.95 600.21 36.93 o 3 10 0 73.69 59.92 30.08 o 4 10 0 1193.20 1211.20 52.06 o 0 1 1 224.70 237.16 4.30 o 1 1 1 111.61 129.10 4.17 o 1 2 1 248.62 262.01 5.71 o 2 2 1 207.93 306.54 16.14 o 0 3 1 1526.57 1755.91 54.48 o 1 3 1 1160.33 1183.19 17.53 o 2 3 1 681.69 681.43 28.20 o 3 3 1 336.57 353.69 20.52 o 1 4 1 1023.44 1083.49 14.90 o 2 4 1 78.89 83.21 7.48 o 3 4 1 400.18 396.69 15.25 o 4 4 1 4.82 -7.18 10.54 o 0 5 1 123.44 122.21 8.31 o 1 5 1 128.60 113.54 6.42 o 2 5 1 285.85 280.51 11.62 o 3 5 1 286.56 278.56 13.43 o 4 5 1 19.59 11.24 11.61 o 5 5 1 248.01 279.05 42.83 o 1 6 1 1.79 -5.15 5.15 o 2 6 1 793.51 711.57 19.72 o 3 6 1 3.36 3.58 7.99 o 4 6 1 55.34 61.15 10.35 o 5 6 1 54.48 44.85 14.06 o 6 6 1 9.67 24.39 22.56 o 0 7 1 186.82 199.13 14.09 o 1 7 1 37.33 31.54 6.10 o 2 7 1 160.45 134.81 10.77 o 3 7 1 34.85 42.28 8.79 o 4 7 1 39.52 44.84 10.93 o 5 7 1 0.94 3.23 9.79 o 6 7 1 40.60 24.63 12.64 o 7 7 1 18.38 27.73 15.15 o 1 8 1 68.25 80.79 7.39 o 2 8 1 116.49 111.17 12.08 o 3 8 1 68.90 80.14 14.72 o 4 8 1 29.74 40.26 10.17 o 5 8 1 3.96 0.43 12.85 o 6 8 1 4.46 21.98 11.94 o 7 8 1 3.14 36.46 11.96 o 0 9 1 0.20 -0.07 9.33 o 1 9 1 83.38 120.44 9.91 o 2 9 1 1.32 -3.51 9.13 o 3 9 1 11.76 14.95 10.99 o 4 9 1 19.56 33.27 11.81 o 5 9 1 64.94 38.13 13.62 o 1 10 1 26.35 38.33 8.57 o 2 10 1 17.62 16.07 12.00 o 3 10 1 17.78 29.95 12.68 o 0 0 2 34551.34 38389.00 232.58 o 1 1 2 6439.65 6955.46 103.99 o 0 2 2 15623.55 15607.62 252.24 o 1 2 2 12403.47 12424.25 390.46 o 2 2 2 5045.58 4613.21 130.50 o 1 3 2 8015.44 7788.94 146.24 o 2 3 2 841.91 798.04 21.72 o 3 3 2 3773.07 3506.30 137.45 o 0 4 2 1321.23 1172.51 33.83 o 1 4 2 1124.41 1134.61 22.56 o 2 4 2 7114.99 6505.05 189.41 o 3 4 2 0.59 -8.64 8.88 o 4 4 2 8596.50 8077.89 233.43 o 1 5 2 6923.64 6609.64 299.81 o 2 5 2 4170.83 3865.23 222.49 o 3 5 2 1052.61 937.56 30.68 o 4 5 2 229.39 185.56 16.75 o 5 5 2 1848.83 1889.62 79.47 o 0 6 2 3649.60 3824.47 134.37 o 1 6 2 929.89 929.52 21.83 o 2 6 2 3143.45 2963.85 86.36 o 3 6 2 1201.97 1163.50 36.06 o 4 6 2 856.26 808.43 75.52 o 5 6 2 940.19 984.97 36.92 o 6 6 2 1285.74 1260.25 61.74 o 1 7 2 456.74 485.97 17.65 o 2 7 2 39.40 44.58 14.67 o 3 7 2 3970.43 3751.17 372.22 o 4 7 2 4.87 16.31 21.60 o 5 7 2 1167.26 1137.87 44.37 o 6 7 2 81.14 69.20 17.97 o 7 7 2 121.12 158.60 27.45 o 0 8 2 3544.16 3777.33 96.08 o 1 8 2 173.71 206.60 14.47 o 2 8 2 653.46 639.52 30.57 o 3 8 2 125.86 100.76 16.82 o 4 8 2 217.08 232.70 22.41 o 5 8 2 167.62 182.53 22.21 o 6 8 2 794.21 721.47 39.93 o 7 8 2 41.03 18.52 20.53 o 1 9 2 685.91 687.04 32.56 o 2 9 2 605.46 580.40 34.40 o 3 9 2 751.18 788.31 38.61 o 4 9 2 34.35 41.63 14.93 o 5 9 2 588.13 594.14 72.45 o 0 10 2 101.31 98.12 18.30 o 1 10 2 171.10 219.63 17.83 o 2 10 2 672.27 739.44 39.64 o 3 10 2 92.45 116.75 32.96 o 0 1 3 4658.62 5245.72 56.49 o 1 1 3 3037.89 3296.01 62.09 o 1 2 3 105.02 133.70 6.80 o 2 2 3 1573.23 1807.15 88.19 o 0 3 3 872.55 1137.95 30.97 o 1 3 3 9.90 11.94 5.29 o 2 3 3 67.58 89.97 19.96 o 3 3 3 313.71 323.19 24.11 o 1 4 3 60.06 53.41 8.15 o 2 4 3 6.63 -8.90 8.90 o 3 4 3 1465.37 1397.18 38.98 o 4 4 3 893.40 843.30 40.01 o 0 5 3 2582.53 2606.44 88.36 o 1 5 3 1.47 8.91 7.00 o 2 5 3 207.30 238.40 43.48 o 3 5 3 65.34 54.37 12.66 o 4 5 3 176.75 193.02 25.59 o 5 5 3 0.58 -9.25 13.86 o 1 6 3 300.37 276.93 13.98 o 2 6 3 46.82 49.11 14.53 o 3 6 3 209.41 201.63 21.52 o 4 6 3 393.75 374.78 23.45 o 5 6 3 28.41 32.24 15.32 o 6 6 3 21.18 8.25 20.08 o 0 7 3 1567.09 1565.58 81.32 o 1 7 3 57.54 50.91 10.07 o 2 7 3 0.62 1.96 12.26 o 3 7 3 26.67 43.33 19.18 o 4 7 3 375.70 373.08 25.46 o 5 7 3 2.13 -0.16 14.33 o 6 7 3 83.62 102.90 19.91 o 7 7 3 3.24 37.39 20.27 o 1 8 3 46.21 43.16 10.81 o 2 8 3 0.25 -14.77 17.26 o 3 8 3 285.99 252.84 26.30 o 4 8 3 0.97 26.44 12.66 o 5 8 3 18.08 2.17 22.96 o 6 8 3 3.98 19.64 12.83 o 0 9 3 2.98 -12.15 16.57 o 1 9 3 24.77 8.84 10.41 o 2 9 3 5.24 18.70 23.23 o 3 9 3 0.46 36.74 15.45 o 4 9 3 8.36 4.40 16.81 o 5 9 3 61.38 59.69 19.96 o 1 10 3 19.60 33.62 14.00 o 2 10 3 35.86 21.82 18.54 o 3 10 3 122.09 94.89 21.50 o 0 0 4 6100.00 5490.02 128.35 o 1 1 4 4712.52 5239.08 82.97 o 0 2 4 2914.26 2931.99 76.49 o 1 2 4 1723.92 1969.24 44.29 o 2 2 4 12551.17 12007.48 231.62 o 1 3 4 16423.06 16811.39 358.08 o 2 3 4 525.98 581.61 21.27 o 3 3 4 1202.81 1222.24 51.79 o 0 4 4 1446.07 1378.13 60.45 o 1 4 4 2.74 5.14 5.99 o 2 4 4 3076.04 3022.46 112.63 o 3 4 4 99.80 90.87 17.08 o 4 4 4 4498.56 4415.64 186.17 o 1 5 4 2578.50 2664.50 47.22 o 2 5 4 89.16 103.89 29.87 o 3 5 4 2635.32 2630.43 69.60 o 4 5 4 1.31 6.47 10.23 o 5 5 4 1321.87 1454.59 61.08 o 0 6 4 4266.34 4158.86 342.14 o 1 6 4 34.51 44.70 8.56 o 2 6 4 1195.99 1171.42 38.04 o 3 6 4 216.21 207.94 19.79 o 4 6 4 1189.20 1156.20 49.14 o 5 6 4 49.37 71.18 15.20 o 6 6 4 1298.33 1426.68 66.34 o 1 7 4 1352.24 1258.31 45.03 o 2 7 4 77.44 65.61 15.46 o 3 7 4 2345.81 2343.94 69.67 o 4 7 4 6.77 14.72 15.82 o 5 7 4 1548.89 1578.42 133.88 o 6 7 4 1.80 -3.45 26.84 o 7 7 4 36.91 29.95 19.58 o 0 8 4 2208.57 2220.12 62.61 o 1 8 4 21.70 21.43 9.71 o 2 8 4 1221.30 1250.26 46.03 o 3 8 4 3.58 -4.47 16.27 o 4 8 4 153.04 106.58 21.73 o 5 8 4 30.37 38.04 14.06 o 6 8 4 478.94 537.58 35.40 o 1 9 4 551.54 599.86 32.60 o 2 9 4 104.42 154.99 34.71 o 3 9 4 471.72 420.96 36.13 o 4 9 4 0.10 19.29 15.81 o 5 9 4 339.98 394.68 33.50 o 0 10 4 150.58 201.49 25.49 o 1 10 4 2.89 19.69 11.72 o 2 10 4 296.68 316.06 28.94 o 0 1 5 1881.26 2099.99 72.95 o 1 1 5 1100.72 1247.59 26.33 o 1 2 5 18.90 23.69 5.96 o 2 2 5 6029.05 5771.25 174.19 o 0 3 5 2628.66 2667.98 106.81 o 1 3 5 1952.36 1884.63 51.12 o 2 3 5 389.15 383.52 18.63 o 3 3 5 260.18 274.47 25.42 o 1 4 5 455.02 432.23 14.45 o 2 4 5 144.33 126.07 13.90 o 3 4 5 544.92 530.04 23.78 o 4 4 5 85.52 104.43 22.54 o 0 5 5 0.02 7.45 9.90 o 1 5 5 2018.70 2217.39 40.76 o 2 5 5 61.42 58.19 13.34 o 3 5 5 933.62 855.34 32.71 o 4 5 5 288.03 284.09 21.16 o 5 5 5 1518.96 1563.51 68.11 o 1 6 5 67.46 69.72 8.94 o 2 6 5 2748.77 2623.26 71.09 o 3 6 5 103.34 81.61 38.60 o 4 6 5 352.27 344.15 29.20 o 5 6 5 0.06 -4.04 13.31 o 6 6 5 488.78 546.10 46.80 o 0 7 5 326.50 337.84 31.67 o 1 7 5 220.30 217.96 14.47 o 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37.39 o 2 5 7 186.74 200.84 17.43 o 3 5 7 144.03 145.21 17.08 o 4 5 7 210.49 180.20 20.85 o 5 5 7 563.59 557.43 44.88 o 1 6 7 97.49 117.40 15.95 o 2 6 7 475.06 483.85 45.92 o 3 6 7 157.11 189.73 21.18 o 4 6 7 66.49 85.82 18.10 o 5 6 7 125.71 108.43 26.26 o 6 6 7 975.40 999.98 63.04 o 0 7 7 2232.78 2151.88 64.01 o 1 7 7 37.97 49.37 12.66 o 2 7 7 276.60 318.13 35.88 o 3 7 7 128.47 127.27 22.19 o 4 7 7 1341.30 1398.32 51.78 o 5 7 7 77.60 89.73 16.87 o 6 7 7 263.37 247.83 29.51 o 1 8 7 730.77 739.03 36.53 o 2 8 7 98.89 86.20 19.15 o 3 8 7 808.35 759.97 42.47 o 4 8 7 1.46 17.73 15.84 o 0 9 7 22.93 25.47 22.00 o 1 9 7 274.18 206.63 20.40 o 2 9 7 1.71 11.85 21.29 o 0 0 8 11163.54 10607.83 266.22 o 1 1 8 3356.74 3496.76 95.56 o 0 2 8 1562.12 1698.90 80.43 o 1 2 8 542.69 547.57 17.85 o 2 2 8 3057.31 3220.55 108.65 o 1 3 8 3230.99 3279.73 99.57 o 2 3 8 92.25 110.01 14.10 o 3 3 8 1042.16 998.48 50.10 o 0 4 8 2174.24 2214.78 107.46 o 1 4 8 449.00 506.52 18.28 o 2 4 8 2128.66 2131.56 58.47 o 3 4 8 1.75 5.71 17.91 o 4 4 8 1603.56 1577.72 65.65 o 1 5 8 1653.54 1605.74 34.54 o 2 5 8 179.09 180.24 18.37 o 3 5 8 2066.23 2107.00 61.61 o 4 5 8 3.95 -5.22 32.04 o 5 5 8 554.59 504.02 46.38 o 0 6 8 1713.36 1758.34 52.55 o 1 6 8 6.39 -9.15 9.15 o 2 6 8 1004.47 1113.85 40.99 o 3 6 8 38.06 62.28 12.92 o 4 6 8 765.62 831.92 39.53 o 5 6 8 64.93 87.47 20.41 o 6 6 8 423.96 441.29 52.14 o 1 7 8 756.13 760.86 26.17 o 2 7 8 7.39 12.30 14.41 o 3 7 8 565.79 626.28 36.69 o 4 7 8 11.79 9.54 15.68 o 5 7 8 589.85 629.54 36.02 o 0 8 8 329.79 326.27 28.60 o 1 8 8 3.11 12.20 12.12 o 2 8 8 686.76 698.09 42.37 o 3 8 8 2.69 0.00 14.53 o 4 8 8 442.95 514.40 44.80 o 0 1 9 167.87 168.40 11.36 o 1 1 9 186.67 178.90 12.22 o 1 2 9 37.89 30.72 8.67 o 2 2 9 3241.69 3213.60 119.21 o 0 3 9 1959.05 2008.78 57.05 o 1 3 9 558.14 564.90 25.76 o 2 3 9 17.69 25.66 17.66 o 3 3 9 271.20 281.34 29.29 o 1 4 9 431.19 423.72 35.75 o 2 4 9 92.24 71.19 16.72 o 3 4 9 217.91 221.65 21.53 o 4 4 9 42.25 26.03 22.50 o 0 5 9 11.66 -10.14 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367.29 378.50 30.70 o 1 6 10 65.94 64.74 13.58 o 2 6 10 1205.10 1218.84 47.80 o 3 6 10 25.94 -11.48 18.26 o 4 6 10 748.24 766.03 42.20 o 1 7 10 830.74 883.38 36.98 o 2 7 10 71.11 93.83 29.98 o 3 7 10 112.81 139.21 23.15 o 0 1 11 149.78 157.85 13.35 o 1 1 11 168.80 172.01 18.51 o 1 2 11 32.21 32.22 10.02 o 2 2 11 33.41 73.22 20.19 o 0 3 11 0.55 27.83 19.81 o 1 3 11 4.34 8.22 12.95 o 2 3 11 0.75 11.68 12.13 o 3 3 11 13.61 9.21 22.27 o 1 4 11 33.65 28.00 11.28 o 2 4 11 3.74 5.70 29.58 o 3 4 11 158.45 133.44 23.12 o 4 4 11 154.55 124.01 34.21 o 0 5 11 257.55 260.81 44.38 o 1 5 11 1.86 10.14 10.23 o 2 5 11 12.68 2.39 23.34 o 3 5 11 0.07 17.79 16.44 o 4 5 11 5.59 -4.36 30.58 o 1 6 11 29.76 38.85 11.82 o 2 6 11 0.05 36.56 14.99 o 3 6 11 41.56 69.12 15.72 o 0 0 12 471.05 346.46 43.35 o 1 1 12 1954.34 1967.71 45.40 o 0 2 12 1152.89 1183.75 49.93 o 1 2 12 1416.33 1393.54 57.15 o 2 2 12 1485.99 1418.58 71.41 o 1 3 12 183.22 165.52 17.65 o 2 3 12 448.14 415.61 38.58 o 3 3 12 1646.83 1644.56 79.86 o 0 4 12 3163.49 3176.91 90.54 o 1 4 12 228.51 212.45 17.24 o 2 4 12 707.51 716.42 39.46 o 3 4 12 3.99 -2.98 35.53 o 4 4 12 25.91 81.01 26.72 o 1 5 12 261.14 243.72 20.52 o 2 5 12 783.29 738.55 43.19 o 3 5 12 1180.71 1154.78 60.55 o 0 1 13 2.26 7.57 13.73 o 1 1 13 2.13 11.33 15.21 o 1 2 13 7.80 10.19 12.04 o 2 2 13 104.01 66.42 28.79 o 0 3 13 209.47 172.04 26.82 o 1 3 13 30.76 38.22 11.17 o 2 3 13 56.64 60.19 29.56 o 3 3 13 73.16 67.00 28.64 o 1 4 13 149.37 176.64 19.38 o 2 4 13 8.48 3.76 20.50 o 0 0 14 1427.28 1251.30 76.21 o 1 1 14 1782.87 1722.14 44.51 o 0 2 14 1331.91 1285.35 124.64 o 1 2 14 488.95 456.28 25.59 o