#------------------------------------------------------------------------------ #$Date: 2016-04-02 23:57:33 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180930 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/10/2201091.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_2201091_Fobs loop_ _publ_author_name 'Breneman, Gary L.' 'Fields, Michael' 'Parker, O. Jerry' _publ_section_title ; Di-\m-hypophosphito-bis[(2,2'-bipyridine)copper(II)] nitrate ; _journal_issue 6 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m262 _journal_page_last m264 _journal_volume 58 _journal_year 2002 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cod_data_source_file ci6121Isup2.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 0 0 18050.53 18504.77 75.30 o 2 0 0 6491.10 6757.63 7.62 o 3 0 0 1918.04 1805.87 5.12 o 4 0 0 5117.28 4847.35 45.97 o 5 0 0 1415.33 1371.77 6.43 o 6 0 0 238.28 249.91 3.20 o 7 0 0 542.30 566.98 5.05 o 1 1 0 939.54 983.09 3.55 o 2 1 0 198.05 208.12 1.46 o 3 1 0 1040.12 1098.73 11.04 o 4 1 0 19.24 27.14 0.63 o 5 1 0 564.27 568.64 7.59 o 6 1 0 228.05 221.89 1.58 o 7 1 0 10.57 11.92 0.94 o 0 2 0 5420.79 5870.81 27.69 o 1 2 0 744.73 708.59 9.35 o 2 2 0 12743.68 13289.25 84.99 o 3 2 0 1402.94 1301.08 8.11 o 4 2 0 1435.65 1412.83 8.14 o 5 2 0 740.08 740.67 4.92 o 6 2 0 2813.53 2729.10 30.62 o 7 2 0 331.15 336.90 2.41 o 1 3 0 1092.97 1133.10 12.45 o 2 3 0 237.55 256.23 4.73 o 3 3 0 991.65 1175.06 10.94 o 4 3 0 228.69 214.39 1.51 o 5 3 0 9.87 11.32 0.76 o 6 3 0 54.70 55.37 1.00 o 7 3 0 118.20 117.89 1.31 o 0 4 0 7748.10 7435.31 11.49 o 1 4 0 511.95 577.06 5.81 o 2 4 0 7.97 31.61 13.32 o 3 4 0 2318.07 2595.31 33.13 o 4 4 0 4503.49 4487.57 10.47 o 5 4 0 118.31 120.35 1.93 o 6 4 0 7.70 12.39 1.49 o 7 4 0 90.15 91.19 1.35 o 1 5 0 314.80 289.38 7.09 o 2 5 0 547.47 607.02 10.68 o 3 5 0 12.67 17.38 0.72 o 4 5 0 0.06 6.55 0.97 o 5 5 0 7.88 8.84 0.82 o 6 5 0 34.65 25.74 1.36 o 7 5 0 22.84 18.32 1.04 o 0 6 0 2922.54 2835.71 9.19 o 1 6 0 516.26 401.30 11.26 o 2 6 0 86.27 95.78 0.76 o 3 6 0 2393.00 2386.99 35.09 o 4 6 0 1887.73 1886.00 18.88 o 5 6 0 536.64 528.86 4.87 o 6 6 0 66.30 63.65 1.17 o 1 7 0 1125.15 1109.11 29.24 o 2 7 0 318.47 357.56 7.15 o 3 7 0 3.65 4.43 0.67 o 4 7 0 24.34 27.16 1.39 o 5 7 0 14.28 17.14 0.84 o 6 7 0 0.77 1.02 0.82 o 0 8 0 398.21 367.72 3.66 o 1 8 0 5661.19 5495.32 92.61 o 2 8 0 6922.46 6535.02 76.90 o 3 8 0 1797.92 1735.77 22.50 o 4 8 0 584.30 573.15 4.11 o 5 8 0 1048.98 1051.02 23.91 o 6 8 0 1197.08 1208.06 27.25 o 1 9 0 212.92 220.08 7.30 o 2 9 0 366.52 370.18 2.63 o 3 9 0 1.51 2.04 0.72 o 4 9 0 93.15 91.56 1.53 o 5 9 0 91.29 101.15 1.40 o 6 9 0 4.30 3.53 0.94 o 0 10 0 14252.31 13215.47 27.79 o 1 10 0 6746.01 6409.95 121.06 o 2 10 0 292.35 285.30 2.04 o 3 10 0 550.64 568.19 4.02 o 4 10 0 2140.08 2111.93 44.76 o 5 10 0 598.02 605.89 5.46 o 1 11 0 377.33 372.84 17.41 o 2 11 0 22.03 17.03 0.92 o 3 11 0 40.72 47.86 1.02 o 4 11 0 70.54 66.93 1.13 o 5 11 0 128.12 135.44 1.40 o 0 12 0 373.23 379.52 3.73 o 1 12 0 1003.21 981.12 15.05 o 2 12 0 2381.54 2312.96 23.24 o 3 12 0 487.26 468.71 3.33 o 4 12 0 47.23 51.30 1.16 o 1 13 0 84.03 89.95 3.31 o 2 13 0 124.68 117.17 3.15 o 3 13 0 122.75 136.38 1.43 o 0 14 0 3.94 0.80 1.24 o 1 14 0 34.66 38.35 1.27 o 2 14 0 133.45 140.60 3.67 o 1 15 0 4.79 3.16 2.64 o -7 1 1 9.80 10.92 1.28 o -6 1 1 79.78 80.66 1.43 o -5 1 1 525.10 522.92 5.25 o -4 1 1 1444.58 1431.84 7.87 o -3 1 1 338.55 375.72 3.65 o -2 1 1 1034.64 1254.61 4.93 o -1 1 1 1582.37 1724.28 4.30 o 0 1 1 1457.52 1556.23 3.49 o 1 1 1 998.52 1028.97 3.76 o 2 1 1 1523.09 1688.49 5.93 o 3 1 1 973.02 930.86 5.63 o 4 1 1 939.43 911.38 6.70 o 5 1 1 15.26 19.25 1.08 o 6 1 1 14.90 16.67 1.17 o 7 1 1 188.55 189.64 2.15 o -7 2 1 0.78 0.75 1.01 o -6 2 1 27.75 26.75 1.27 o -5 2 1 1183.83 1186.19 8.49 o -4 2 1 1259.30 1287.19 7.56 o -3 2 1 1940.95 2068.84 7.85 o -2 2 1 2045.60 2312.74 6.78 o -1 2 1 10242.40 11313.34 45.07 o 0 2 1 26.64 30.57 0.75 o 1 2 1 205.46 227.68 2.28 o 2 2 1 33.24 45.08 0.75 o 3 2 1 422.77 440.59 4.18 o 4 2 1 435.91 440.79 4.41 o 5 2 1 98.59 99.35 1.41 o 6 2 1 1.59 3.43 1.11 o 7 2 1 23.83 21.74 1.43 o -7 3 1 606.02 614.44 6.10 o -6 3 1 944.72 984.82 8.81 o -5 3 1 554.39 527.79 5.23 o -4 3 1 7.60 8.65 0.85 o -3 3 1 5654.62 5458.83 13.07 o -2 3 1 8053.30 7864.01 13.03 o -1 3 1 46.64 64.08 0.87 o 0 3 1 1963.35 2063.62 5.97 o 1 3 1 9742.26 10301.33 50.00 o 2 3 1 16935.06 18151.18 77.87 o 3 3 1 3524.45 3469.02 11.10 o 4 3 1 131.43 117.06 1.23 o 5 3 1 1167.73 1125.79 8.72 o 6 3 1 923.98 961.60 9.11 o 7 3 1 45.88 48.00 1.58 o -7 4 1 71.77 77.87 1.69 o -6 4 1 336.48 333.31 3.27 o -5 4 1 241.60 242.57 2.40 o -4 4 1 811.02 829.99 6.64 o -3 4 1 2103.19 2219.35 8.89 o -2 4 1 2.54 4.58 0.68 o -1 4 1 1768.30 1855.48 6.43 o 0 4 1 71.48 69.23 0.96 o 1 4 1 191.66 188.45 1.86 o 2 4 1 56.44 58.33 0.87 o 3 4 1 0.18 4.44 0.76 o 4 4 1 59.54 59.47 1.13 o 5 4 1 242.62 240.44 2.41 o 6 4 1 411.37 398.54 4.00 o 7 4 1 127.27 120.91 1.92 o -7 5 1 2.64 -1.09 1.09 o -6 5 1 3.95 8.88 1.15 o -5 5 1 2444.93 2359.39 12.49 o -4 5 1 4015.35 3711.01 13.85 o -3 5 1 3178.27 3086.32 11.06 o -2 5 1 612.32 502.06 4.32 o -1 5 1 2070.23 1767.08 6.96 o 0 5 1 2801.13 2484.88 8.14 o 1 5 1 5705.82 5403.42 11.81 o 2 5 1 6284.00 6303.11 14.23 o 3 5 1 6294.57 5964.02 15.93 o 4 5 1 5835.42 5616.86 17.51 o 5 5 1 880.84 858.87 7.99 o 6 5 1 36.02 52.40 1.40 o -7 6 1 140.89 139.38 2.01 o -6 6 1 386.28 383.70 3.83 o -5 6 1 33.23 34.34 1.24 o -4 6 1 265.70 246.23 2.42 o -3 6 1 156.47 162.56 1.63 o -2 6 1 56.38 37.46 0.93 o -1 6 1 26.39 38.38 0.97 o 0 6 1 137.95 173.58 1.72 o 1 6 1 52.43 51.78 0.93 o 2 6 1 1658.59 1871.07 8.62 o 3 6 1 0.01 5.21 0.89 o 4 6 1 93.29 95.44 1.41 o 5 6 1 96.80 88.78 1.45 o 6 6 1 307.30 288.61 2.85 o -6 7 1 717.76 735.55 7.21 o -5 7 1 25.74 29.87 1.25 o -4 7 1 42.48 50.44 1.31 o -3 7 1 3279.54 3108.41 12.64 o -2 7 1 3616.97 3600.83 12.44 o -1 7 1 2647.33 2738.83 10.53 o 0 7 1 133.24 87.46 1.20 o 1 7 1 4600.74 4311.26 12.85 o 2 7 1 6686.97 6235.97 16.56 o 3 7 1 379.33 349.76 3.43 o 4 7 1 302.48 294.74 2.97 o 5 7 1 700.58 692.22 6.99 o 6 7 1 809.56 832.39 8.24 o -6 8 1 4.41 6.21 1.38 o -5 8 1 66.47 76.12 1.52 o -4 8 1 1475.73 1513.41 10.24 o -3 8 1 115.69 109.10 1.43 o -2 8 1 0.49 7.88 1.09 o -1 8 1 76.83 69.17 1.30 o 0 8 1 0.24 -2.19 2.19 o 1 8 1 589.45 585.47 5.71 o 2 8 1 95.66 78.61 1.27 o 3 8 1 1.63 2.13 0.98 o 4 8 1 180.02 171.30 1.70 o 5 8 1 38.21 32.70 1.37 o 6 8 1 89.33 78.34 1.78 o -6 9 1 0.11 2.46 1.26 o -5 9 1 227.99 220.48 2.21 o -4 9 1 569.44 565.79 5.69 o -3 9 1 71.65 66.74 1.43 o -2 9 1 71.40 77.09 1.43 o -1 9 1 970.26 944.51 7.95 o 0 9 1 278.26 268.06 2.68 o 1 9 1 5.27 1.84 0.99 o 2 9 1 362.33 349.25 3.54 o 3 9 1 23.20 32.59 1.24 o 4 9 1 590.87 585.04 5.81 o 5 9 1 86.04 80.61 1.61 o -5 10 1 19.56 25.55 1.49 o -4 10 1 60.21 61.03 1.53 o -3 10 1 202.34 216.38 2.18 o -2 10 1 0.17 1.51 1.12 o -1 10 1 863.26 845.39 8.29 o 0 10 1 60.85 61.01 1.71 o 1 10 1 23.38 24.64 1.35 o 2 10 1 50.17 48.20 1.35 o 3 10 1 459.92 429.61 4.29 o 4 10 1 20.70 22.29 1.36 o 5 10 1 129.99 124.60 1.89 o -5 11 1 106.73 111.87 1.92 o -4 11 1 321.95 332.75 3.40 o -3 11 1 302.31 330.98 3.39 o -2 11 1 84.95 76.97 1.61 o -1 11 1 1563.04 1480.03 11.06 o 0 11 1 1563.51 1541.23 11.03 o 1 11 1 52.43 53.89 1.52 o 2 11 1 31.03 23.52 1.30 o 3 11 1 401.01 423.67 4.35 o 4 11 1 447.74 465.01 4.56 o 5 11 1 30.91 33.06 1.52 o -4 12 1 135.30 142.74 2.03 o -3 12 1 92.68 101.43 1.82 o -2 12 1 40.14 40.54 1.62 o -1 12 1 606.14 594.26 5.88 o 0 12 1 21.97 20.18 1.55 o 1 12 1 179.73 137.80 2.25 o 2 12 1 102.46 113.42 1.79 o 3 12 1 84.04 84.20 1.68 o 4 12 1 73.28 81.24 1.77 o -4 13 1 85.09 94.13 1.95 o -3 13 1 1038.93 1133.14 10.75 o -2 13 1 1430.58 1518.79 12.12 o -1 13 1 306.16 323.26 3.33 o 0 13 1 33.74 37.59 1.69 o 1 13 1 2294.12 2283.61 14.05 o 2 13 1 1458.08 1444.61 11.52 o 3 13 1 808.56 818.69 8.03 o -3 14 1 106.99 136.75 2.19 o -2 14 1 27.67 31.57 1.77 o -1 14 1 35.10 34.67 1.98 o 0 14 1 5.97 -1.62 1.62 o 1 14 1 29.87 6.62 1.92 o 2 14 1 1.62 -0.68 1.11 o -1 15 1 637.45 648.68 6.36 o 0 15 1 874.43 915.50 9.19 o 1 15 1 956.24 1008.61 10.01 o -7 0 2 10.13 13.33 1.27 o -6 0 2 620.82 629.02 6.32 o -5 0 2 1445.16 1406.89 8.92 o -4 0 2 3249.31 3113.89 11.17 o -3 0 2 141.95 128.58 1.25 o -2 0 2 471.39 473.16 3.39 o -1 0 2 27108.70 27324.53 63.47 o 0 0 2 39135.78 35058.49 66.96 o 1 0 2 2739.02 3236.88 6.72 o 2 0 2 441.42 340.68 3.21 o 3 0 2 10669.83 10524.56 18.62 o 4 0 2 7469.58 7291.97 18.58 o 5 0 2 732.57 666.54 6.56 o 6 0 2 725.99 707.80 7.02 o 7 0 2 386.10 406.81 4.08 o -7 1 2 88.82 96.20 1.63 o -6 1 2 936.03 922.03 8.42 o -5 1 2 429.28 395.17 3.96 o -4 1 2 938.78 912.79 6.28 o -3 1 2 2195.84 2313.67 8.02 o -2 1 2 34663.87 37995.73 98.12 o -1 1 2 3893.15 4373.06 27.53 o 0 1 2 6575.65 7138.48 32.98 o 1 1 2 63.91 74.40 0.79 o 2 1 2 438.73 380.75 3.40 o 3 1 2 375.05 399.98 3.95 o 4 1 2 1016.73 1012.57 7.25 o 5 1 2 85.75 81.34 1.36 o 6 1 2 6.53 7.68 1.14 o 7 1 2 24.48 22.15 1.49 o -7 2 2 441.52 449.24 4.41 o -6 2 2 1365.95 1348.75 10.12 o -5 2 2 431.01 447.37 4.41 o -4 2 2 2701.67 2771.21 10.79 o -3 2 2 5871.30 5814.66 12.87 o -2 2 2 29982.12 32492.06 95.23 o -1 2 2 105.21 96.55 0.94 o 0 2 2 8676.75 9428.50 43.04 o 1 2 2 7863.94 8694.52 45.37 o 2 2 2 5803.49 5646.78 11.62 o 3 2 2 1822.70 1824.02 8.14 o 4 2 2 469.74 437.95 4.41 o 5 2 2 2484.67 2467.19 12.67 o 6 2 2 933.01 933.48 9.04 o 7 2 2 9.11 13.49 1.42 o -7 3 2 54.65 58.83 1.60 o -6 3 2 268.92 278.61 2.79 o -5 3 2 40.26 52.69 1.22 o -4 3 2 14.20 13.02 0.86 o -3 3 2 184.75 211.03 2.13 o -2 3 2 4229.13 4525.82 10.11 o -1 3 2 3054.91 3292.45 7.80 o 0 3 2 1970.20 1972.36 6.21 o 1 3 2 242.60 249.55 2.50 o 2 3 2 3694.91 3931.05 10.31 o 3 3 2 17.71 19.34 0.81 o 4 3 2 278.37 252.05 2.54 o 5 3 2 0.03 3.20 1.02 o 6 3 2 15.33 11.41 1.26 o 7 3 2 51.40 46.41 1.60 o -7 4 2 11.77 9.55 1.33 o -6 4 2 0.85 3.36 1.06 o -5 4 2 251.06 247.82 2.53 o -4 4 2 1417.34 1350.14 8.19 o -3 4 2 19.53 37.06 0.89 o -2 4 2 1690.34 1961.57 7.35 o -1 4 2 12.17 -1.59 1.59 o 0 4 2 2538.38 2528.27 7.67 o 1 4 2 2946.77 3203.11 8.70 o 2 4 2 56.88 59.80 0.89 o 3 4 2 2447.02 2472.35 10.17 o 4 4 2 400.01 369.42 3.67 o 5 4 2 475.41 470.43 4.69 o 6 4 2 59.08 59.08 1.46 o -7 5 2 48.26 47.73 1.57 o -6 5 2 39.24 41.87 1.32 o -5 5 2 84.33 80.00 1.43 o -4 5 2 106.55 121.86 1.33 o -3 5 2 729.40 716.93 5.71 o -2 5 2 352.59 390.53 3.82 o -1 5 2 666.54 644.67 4.70 o 0 5 2 19.89 24.10 0.89 o 1 5 2 691.67 813.15 5.11 o 2 5 2 43.52 43.34 0.90 o 3 5 2 99.09 108.17 1.21 o 4 5 2 0.30 3.46 0.99 o 5 5 2 23.53 23.57 1.18 o 6 5 2 0.04 0.00 0.09 o -7 6 2 2.33 0.23 1.42 o -6 6 2 16.21 16.53 1.24 o -5 6 2 1535.50 1515.70 10.36 o -4 6 2 1411.18 1430.13 9.17 o -3 6 2 19.47 14.66 0.95 o -2 6 2 123.40 172.59 1.76 o -1 6 2 876.01 739.86 5.47 o 0 6 2 582.88 540.50 4.81 o 1 6 2 3.24 14.89 0.86 o 2 6 2 510.81 484.14 4.68 o 3 6 2 3367.87 3181.60 12.69 o 4 6 2 368.47 344.72 3.46 o 5 6 2 10.02 11.64 1.14 o 6 6 2 2.61 3.56 1.22 o -6 7 2 96.88 98.24 1.68 o -5 7 2 179.03 189.95 1.90 o -4 7 2 253.76 263.90 2.66 o -3 7 2 1564.79 1593.55 9.25 o -2 7 2 277.16 301.78 3.01 o -1 7 2 2073.05 2103.20 9.57 o 0 7 2 80.06 61.63 1.15 o 1 7 2 163.11 176.42 1.78 o 2 7 2 2796.48 2862.76 11.60 o 3 7 2 303.85 277.79 2.72 o 4 7 2 0.99 1.18 0.90 o 5 7 2 1.94 5.05 1.16 o 6 7 2 11.91 14.25 1.43 o -6 8 2 462.94 496.79 4.90 o -5 8 2 416.92 446.82 4.46 o -4 8 2 385.25 391.47 3.93 o -3 8 2 2395.23 2298.80 11.64 o -2 8 2 7208.81 7056.55 19.00 o -1 8 2 2021.96 1950.17 10.23 o 0 8 2 1188.00 1164.59 8.03 o 1 8 2 5364.30 4961.44 15.40 o 2 8 2 2385.14 2177.60 10.91 o 3 8 2 282.67 269.48 2.74 o 4 8 2 41.75 52.20 1.30 o 5 8 2 2042.78 2095.41 13.42 o 6 8 2 534.45 541.39 5.43 o -6 9 2 359.19 362.23 3.56 o -5 9 2 721.01 744.44 7.50 o -4 9 2 344.02 331.44 3.40 o -3 9 2 1249.70 1264.54 9.37 o -2 9 2 1633.46 1564.44 10.03 o -1 9 2 1148.67 1144.51 8.92 o 0 9 2 896.90 873.07 7.78 o 1 9 2 12.18 17.38 1.17 o 2 9 2 107.39 100.30 1.46 o 3 9 2 8.55 6.71 1.09 o 4 9 2 75.96 60.41 1.45 o 5 9 2 108.62 93.83 1.76 o -5 10 2 936.15 961.73 9.35 o -4 10 2 1269.47 1303.24 10.46 o -3 10 2 43.41 46.53 1.39 o -2 10 2 1173.19 1133.05 9.31 o -1 10 2 11853.04 11159.16 27.70 o 0 10 2 4774.59 4676.39 17.60 o 1 10 2 674.24 636.07 6.30 o 2 10 2 315.55 298.20 2.97 o 3 10 2 2512.01 2417.59 13.42 o 4 10 2 1878.86 1832.56 12.54 o 5 10 2 572.15 550.94 5.62 o -5 11 2 15.15 21.21 1.51 o -4 11 2 461.20 470.96 4.73 o -3 11 2 71.53 72.26 1.60 o -2 11 2 1773.82 1792.03 11.95 o -1 11 2 2158.33 2118.57 13.31 o 0 11 2 254.59 231.98 2.41 o 1 11 2 363.32 363.67 3.76 o 2 11 2 66.33 64.01 1.47 o 3 11 2 26.92 21.65 1.37 o 4 11 2 11.64 10.30 1.38 o -4 12 2 225.75 214.47 2.30 o -3 12 2 966.08 977.46 9.64 o -2 12 2 407.70 398.45 4.03 o -1 12 2 133.47 143.65 2.08 o 0 12 2 107.33 104.18 1.84 o 1 12 2 1410.90 1388.46 10.84 o 2 12 2 1338.72 1280.91 10.62 o 3 12 2 95.50 97.95 1.78 o 4 12 2 211.48 213.41 2.26 o -4 13 2 15.17 15.87 1.60 o -3 13 2 54.13 56.29 1.86 o -2 13 2 84.78 88.13 1.92 o -1 13 2 36.59 38.85 1.86 o 0 13 2 11.13 13.77 1.59 o 1 13 2 0.23 1.31 1.25 o 2 13 2 32.23 35.68 1.64 o 3 13 2 10.67 17.07 1.49 o -3 14 2 0.56 -0.96 1.20 o -2 14 2 16.59 11.43 1.72 o -1 14 2 53.01 52.18 2.07 o 0 14 2 5.12 4.72 1.63 o 1 14 2 55.48 61.77 1.84 o 2 14 2 11.22 7.64 1.54 o -1 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