#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/93/2229339.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_2229339_Fobs loop_ _publ_author_name 'Najafi, Ezzatollah' 'Amini, Mostafa M.' 'Ng, Seik Weng' _publ_section_title ; Bis(N-nitroso-N-phenylhydroxylaminato-\k^2^O,O')(1,10-phenanthroline-\k^2^N,N')lead(II) ; _journal_coeditor_code BT5481 _journal_issue 3 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m378 _journal_volume 67 _journal_year 2011 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 100.919 _cell_angle_gamma 90.000 _cell_length_a 7.7033 _cell_length_b 15.9948 _cell_length_c 18.8929 _exptl_crystal_F_000 1272.00 _reflns_d_resolution_high 0.7696 _[local]_cod_data_source_file bt5481Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' P21/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 387.42 _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+1/2, -z+1/2' '-x, -y, -z' 'x, -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 1 0 0 86624.41 80980.07 1225.58 o 2 0 0 4340.93 4316.42 93.45 o 3 0 0 19622.44 19493.83 312.42 o 4 0 0 1579.06 1543.49 52.24 o 5 0 0 3536.69 3631.19 92.60 o 6 0 0 25.88 52.04 33.57 o 7 0 0 3861.25 3747.00 241.63 o 8 0 0 10913.67 11292.10 485.28 o 9 0 0 10485.20 10622.15 492.41 o 1 1 0 572.82 605.76 16.09 o 2 1 0 4667.43 4759.85 61.31 o 3 1 0 3572.08 3444.19 52.54 o 4 1 0 12850.54 13079.42 159.70 o 5 1 0 11084.38 11269.03 146.84 o 6 1 0 4127.34 4283.24 78.51 o 7 1 0 7876.87 7880.83 317.38 o 8 1 0 1762.36 1806.45 146.73 o 9 1 0 407.10 346.10 109.09 o 0 2 0 122120.35 115122.05 2724.35 o 1 2 0 75952.63 73940.41 896.91 o 2 2 0 3773.70 3663.77 49.39 o 3 2 0 4218.73 4035.08 61.68 o 4 2 0 3711.40 3758.39 60.97 o 5 2 0 1145.37 1270.23 39.36 o 6 2 0 20.73 31.90 32.67 o 7 2 0 5327.33 5150.52 176.58 o 8 2 0 3396.73 3389.67 179.24 o 9 2 0 4473.15 4353.60 221.56 o 1 3 0 1764.72 1873.03 30.15 o 2 3 0 5694.79 5683.67 90.78 o 3 3 0 37362.61 37508.02 409.92 o 4 3 0 40465.20 40385.50 476.53 o 5 3 0 38203.95 38044.84 463.12 o 6 3 0 27557.19 27435.54 410.26 o 7 3 0 18492.67 18314.66 301.76 o 8 3 0 10556.57 10931.67 336.27 o 9 3 0 4282.64 4554.76 449.42 o 0 4 0 141.89 166.47 19.60 o 1 4 0 794.87 965.74 23.50 o 2 4 0 2927.32 3189.07 55.17 o 3 4 0 222.31 212.54 18.70 o 4 4 0 1.16 57.56 25.56 o 5 4 0 262.02 327.89 34.18 o 6 4 0 456.15 448.40 47.40 o 7 4 0 5.59 45.51 41.77 o 8 4 0 5.86 82.49 62.04 o 9 4 0 3.16 120.37 100.13 o 1 5 0 4060.84 4221.68 59.92 o 2 5 0 15686.11 16320.98 188.25 o 3 5 0 22099.07 21661.35 672.56 o 4 5 0 44609.16 45357.91 554.02 o 5 5 0 25800.40 25167.93 328.89 o 6 5 0 17019.02 17035.20 281.12 o 7 5 0 16188.87 16043.11 277.59 o 8 5 0 13616.64 13606.72 261.46 o 9 5 0 1891.64 2268.61 180.72 o 0 6 0 43591.94 44312.46 679.58 o 1 6 0 45291.07 46229.80 501.95 o 2 6 0 18796.47 18486.16 213.82 o 3 6 0 19003.24 19216.71 249.87 o 4 6 0 1682.46 1608.75 52.68 o 5 6 0 22.32 39.69 32.70 o 6 6 0 16.79 43.21 45.81 o 7 6 0 4617.56 4376.20 124.14 o 8 6 0 3852.10 3760.84 126.18 o 9 6 0 3535.43 3948.64 223.55 o 1 7 0 136.71 249.63 23.33 o 2 7 0 2580.33 2776.11 51.03 o 3 7 0 6757.53 7160.37 137.53 o 4 7 0 3428.49 3599.03 74.62 o 5 7 0 881.96 911.71 58.98 o 6 7 0 2373.49 2370.88 101.58 o 7 7 0 5579.63 5621.36 145.82 o 8 7 0 1054.40 1288.75 88.39 o 9 7 0 36.23 -36.79 102.61 o 0 8 0 115779.23 116939.25 1762.15 o 1 8 0 56398.86 55136.37 600.72 o 2 8 0 29874.19 29134.37 330.85 o 3 8 0 16492.85 17009.93 205.39 o 4 8 0 741.31 797.09 43.93 o 5 8 0 70.03 37.99 25.45 o 6 8 0 664.32 644.03 60.54 o 7 8 0 4430.13 4500.05 148.21 o 8 8 0 6018.55 6066.16 161.97 o 9 8 0 6282.62 6424.20 210.65 o 1 9 0 454.47 404.07 25.34 o 2 9 0 2299.62 2418.81 52.96 o 3 9 0 2904.94 2990.51 82.65 o 4 9 0 7138.58 7179.86 122.71 o 5 9 0 10872.23 10736.69 200.44 o 6 9 0 6121.43 6083.79 146.46 o 7 9 0 3024.18 3054.85 113.78 o 8 9 0 2321.48 2395.01 282.68 o 0 10 0 13939.09 13844.24 244.97 o 1 10 0 15854.80 15617.82 210.47 o 2 10 0 11085.32 10869.63 145.69 o 3 10 0 7590.88 7801.70 130.55 o 4 10 0 2769.92 2858.09 90.05 o 5 10 0 514.63 503.89 54.70 o 6 10 0 7.29 13.06 44.55 o 7 10 0 747.14 691.85 90.19 o 8 10 0 1988.97 2090.45 127.28 o 1 11 0 4479.05 4543.54 85.22 o 2 11 0 4746.87 4930.26 85.54 o 3 11 0 13144.98 13028.99 194.37 o 4 11 0 18999.95 18764.23 303.30 o 5 11 0 21924.72 21403.78 346.19 o 6 11 0 17492.23 17292.01 350.49 o 7 11 0 13207.85 13331.28 545.01 o 8 11 0 6551.33 6551.12 206.74 o 0 12 0 7784.74 7302.11 156.15 o 1 12 0 822.59 903.69 49.30 o 2 12 0 446.86 497.23 44.30 o 3 12 0 278.38 310.38 45.58 o 4 12 0 73.70 105.12 111.50 o 5 12 0 387.45 331.14 63.80 o 6 12 0 434.91 397.94 75.12 o 7 12 0 3.59 67.14 70.27 o 8 12 0 118.74 148.62 84.08 o 1 13 0 585.47 631.96 58.96 o 2 13 0 7374.15 7675.03 133.67 o 3 13 0 11499.88 11744.03 256.28 o 4 13 0 13107.39 12449.63 267.34 o 5 13 0 12932.36 12236.59 337.39 o 6 13 0 10788.82 10448.03 258.21 o 7 13 0 6302.23 6372.35 205.39 o 0 14 0 35357.37 35527.77 723.28 o 1 14 0 11545.36 11556.66 206.73 o 2 14 0 10906.78 10565.97 229.94 o 3 14 0 9455.81 9362.10 216.39 o 4 14 0 744.30 761.12 98.66 o 5 14 0 169.67 119.76 66.29 o 6 14 0 10.05 -48.39 84.21 o 7 14 0 1802.11 1844.39 138.82 o 1 15 0 789.56 822.32 62.88 o 2 15 0 353.49 314.81 61.99 o 3 15 0 1861.71 1530.94 257.58 o 4 15 0 1232.90 1004.70 113.76 o 5 15 0 346.68 330.90 96.87 o 6 15 0 570.03 614.14 116.80 o 0 16 0 30231.31 30787.95 654.74 o 1 16 0 22891.28 22599.35 358.41 o 2 16 0 9478.00 9537.38 257.73 o 3 16 0 5545.91 5411.65 211.81 o 4 16 0 1624.43 1722.79 144.20 o 5 16 0 168.59 169.73 98.22 o 6 16 0 35.97 -18.47 98.74 o 1 17 0 393.22 458.10 72.91 o 2 17 0 519.28 561.59 77.29 o 3 17 0 3370.86 3264.56 176.68 o 4 17 0 4437.21 4526.41 211.38 o 5 17 0 4778.86 4927.11 229.59 o 0 18 0 3172.50 3118.36 160.03 o 1 18 0 3750.12 3911.05 152.43 o 2 18 0 1547.55 1133.53 287.49 o 3 18 0 651.44 681.43 121.14 o 4 18 0 80.06 153.51 104.57 o 1 19 0 325.09 385.32 84.25 o 2 19 0 1553.36 1640.14 214.11 o 3 19 0 4006.75 4355.29 217.08 o 0 20 0 1748.93 1983.75 234.93 o 1 20 0 1360.37 1549.89 208.11 o 2 20 0 244.66 185.81 120.95 o -9 1 1 1016.18 1141.43 265.41 o -8 1 1 7962.02 7546.35 265.78 o -7 1 1 6555.96 6437.06 139.40 o -6 1 1 17304.99 17212.52 215.63 o -5 1 1 34779.82 34320.21 421.58 o -4 1 1 35425.43 35222.05 392.60 o -3 1 1 92042.15 91849.05 1066.57 o -2 1 1 77107.14 74454.54 1727.72 o -1 1 1 10365.08 10558.17 129.23 o 1 1 1 361.88 423.81 32.29 o 2 1 1 7002.51 7327.22 97.40 o 3 1 1 24081.69 24639.28 275.02 o 4 1 1 17174.89 17295.35 204.02 o 5 1 1 14136.75 13453.03 206.70 o 6 1 1 27078.63 27152.53 320.04 o 7 1 1 23688.09 24188.85 443.71 o 8 1 1 14804.12 15649.03 458.74 o 9 1 1 5631.74 5644.25 253.65 o -9 2 1 6691.11 6609.33 392.94 o -8 2 1 7647.14 7759.53 302.12 o -7 2 1 5244.10 5223.46 125.79 o -6 2 1 3058.47 3020.26 154.61 o -5 2 1 147.86 178.58 21.49 o -4 2 1 377.63 400.66 22.00 o -3 2 1 3342.77 3280.69 67.37 o -2 2 1 1333.33 1585.37 35.99 o -1 2 1 34042.16 35172.23 457.76 o 0 2 1 52219.56 51498.24 602.47 o 1 2 1 32602.54 33066.37 355.21 o 2 2 1 39686.37 39970.33 431.07 o 3 2 1 21157.08 21174.30 258.77 o 4 2 1 8507.38 8335.57 109.76 o 5 2 1 6264.88 6407.03 94.83 o 6 2 1 583.10 710.83 50.38 o 7 2 1 19.25 14.70 48.84 o 8 2 1 1836.99 1934.96 154.90 o 9 2 1 2815.61 2963.32 238.73 o -9 3 1 325.52 312.42 106.86 o -8 3 1 1320.55 1357.50 129.89 o -7 3 1 3290.61 3287.85 101.30 o -6 3 1 201.32 309.79 47.23 o -5 3 1 894.06 832.23 33.31 o -4 3 1 5586.07 5905.02 93.71 o -3 3 1 11111.06 11541.96 155.94 o -2 3 1 24214.68 24997.93 340.12 o -1 3 1 4340.90 4574.43 58.46 o 0 3 1 8790.57 9118.01 114.45 o 1 3 1 7906.72 8014.11 121.77 o 2 3 1 649.80 758.40 32.35 o 3 3 1 2146.08 2235.98 39.36 o 4 3 1 4525.76 4738.79 71.02 o 5 3 1 2285.28 2246.27 61.27 o 6 3 1 2121.65 2045.65 86.06 o 7 3 1 4891.37 5127.90 128.52 o 8 3 1 1883.38 1949.16 155.01 o 9 3 1 998.00 941.81 135.33 o -9 4 1 13410.74 14296.53 442.32 o -8 4 1 11045.35 11089.80 218.97 o -7 4 1 13808.46 13327.68 238.11 o -6 4 1 3640.14 3448.28 169.55 o -5 4 1 56.19 155.96 26.17 o -4 4 1 6300.98 6655.94 106.72 o -3 4 1 17327.30 16939.94 465.22 o -2 4 1 15339.18 15241.58 194.33 o -1 4 1 33560.08 33860.61 367.33 o 0 4 1 64640.50 65071.15 763.00 o 1 4 1 60780.80 61714.23 723.48 o 2 4 1 56321.98 56691.36 610.04 o 3 4 1 56347.54 56426.76 667.36 o 4 4 1 19133.39 18731.98 236.79 o 5 4 1 10536.17 10472.42 194.60 o 6 4 1 2587.65 2685.73 87.96 o 7 4 1 3172.70 3257.19 104.92 o 8 4 1 3304.56 3423.79 258.73 o 9 4 1 6016.93 6425.52 335.08 o -9 5 1 1306.97 1496.41 154.69 o -8 5 1 665.73 634.84 67.62 o -7 5 1 1844.03 1779.64 85.13 o -6 5 1 3065.43 2991.11 95.09 o -5 5 1 9495.31 9389.56 171.52 o -4 5 1 18461.30 18493.12 245.55 o -3 5 1 8144.72 7870.04 269.60 o -2 5 1 16082.37 16543.28 190.43 o -1 5 1 8083.14 8702.93 106.63 o 0 5 1 27.30 38.87 9.93 o 1 5 1 1353.97 1517.12 31.87 o 2 5 1 8855.86 9520.23 117.52 o 3 5 1 2021.42 2071.36 56.93 o 4 5 1 5572.91 5672.47 115.22 o 5 5 1 5398.25 5117.89 115.24 o 6 5 1 2271.97 2247.80 103.19 o 7 5 1 4204.68 4346.75 122.73 o 8 5 1 2415.13 2413.85 129.48 o 9 5 1 1033.79 1162.02 148.07 o -9 6 1 1644.60 1557.56 155.39 o -8 6 1 5673.71 5607.67 151.77 o -7 6 1 5367.05 5634.78 140.65 o -6 6 1 2161.21 2140.11 84.90 o -5 6 1 167.23 239.40 30.68 o -4 6 1 3068.59 3202.02 75.41 o -3 6 1 372.11 324.68 25.46 o -2 6 1 2840.96 2662.80 55.35 o -1 6 1 14208.88 14053.39 165.48 o 0 6 1 32345.37 33256.21 400.31 o 1 6 1 19391.78 19199.68 219.69 o 2 6 1 37516.20 39376.43 477.46 o 3 6 1 16756.09 16820.26 198.19 o 4 6 1 9223.52 9072.88 151.50 o 5 6 1 3058.58 3105.41 104.31 o 6 6 1 201.46 222.14 45.26 o 7 6 1 35.39 102.74 49.66 o 8 6 1 239.99 386.97 78.19 o 9 6 1 1526.76 1460.37 156.33 o -9 7 1 2627.59 2440.86 348.19 o -8 7 1 4698.43 4898.81 144.94 o -7 7 1 5376.08 5230.88 155.91 o -6 7 1 12176.69 11846.87 217.43 o -5 7 1 24637.06 23906.33 365.14 o -4 7 1 45032.74 45493.16 560.26 o -3 7 1 43104.94 43153.63 527.63 o -2 7 1 28851.99 28150.55 317.42 o -1 7 1 26004.76 26712.48 329.39 o 0 7 1 4049.58 4266.11 64.27 o 1 7 1 2787.05 2996.23 52.47 o 2 7 1 11634.67 12214.23 151.30 o 3 7 1 8361.46 8259.57 109.84 o 4 7 1 19942.96 20032.57 266.89 o 5 7 1 25577.10 24789.10 441.44 o 6 7 1 15768.73 15873.04 310.99 o 7 7 1 27265.73 27227.90 430.02 o 8 7 1 12609.11 12365.05 247.05 o 9 7 1 4241.10 4509.78 507.86 o -9 8 1 113.81 209.85 84.10 o -8 8 1 464.11 424.56 78.54 o -7 8 1 158.46 95.38 58.83 o -6 8 1 7.78 6.01 42.48 o -5 8 1 357.10 433.10 54.79 o -4 8 1 84.20 107.48 26.86 o -3 8 1 201.84 224.16 19.62 o -2 8 1 2668.61 3072.11 56.72 o -1 8 1 62.49 57.76 14.40 o 0 8 1 1504.30 1733.40 39.86 o 1 8 1 52.62 56.53 17.42 o 2 8 1 1616.32 1705.85 64.89 o 3 8 1 529.07 525.64 32.00 o 4 8 1 9.60 28.55 33.21 o 5 8 1 1879.64 2014.79 139.36 o 6 8 1 354.82 347.31 53.66 o 7 8 1 803.46 704.72 68.76 o 8 8 1 340.74 272.73 74.70 o -8 9 1 2983.45 2893.78 122.18 o -7 9 1 5871.22 5768.06 172.03 o -6 9 1 11257.45 10209.52 201.21 o -5 9 1 20967.44 21180.38 335.61 o -4 9 1 21366.23 21584.20 290.57 o -3 9 1 26647.26 26447.29 307.24 o -2 9 1 20243.59 20648.40 244.75 o -1 9 1 7230.44 6929.56 106.83 o 0 9 1 3574.07 3777.32 64.45 o 1 9 1 82.30 130.86 20.22 o 2 9 1 3978.54 4128.30 71.99 o 3 9 1 9522.00 9607.92 130.76 o 4 9 1 10087.31 9898.35 182.28 o 5 9 1 18220.57 17844.05 294.04 o 6 9 1 17910.45 17321.59 600.67 o 7 9 1 12905.92 12884.54 249.25 o 8 9 1 8588.33 8035.70 363.55 o -8 10 1 4084.71 4258.08 173.43 o -7 10 1 3651.82 3440.80 166.77 o -6 10 1 1382.44 1225.23 77.82 o -5 10 1 14.03 94.53 42.56 o -4 10 1 512.52 535.27 41.28 o -3 10 1 4160.31 4301.46 88.94 o -2 10 1 9521.00 9311.30 149.12 o -1 10 1 15952.23 15993.39 214.52 o 0 10 1 27264.04 27016.57 311.65 o 1 10 1 28459.90 28436.74 327.85 o 2 10 1 30992.28 30651.75 353.64 o 3 10 1 15489.88 15535.98 220.29 o 4 10 1 4468.13 4592.72 115.84 o 5 10 1 2981.59 2923.59 99.07 o 6 10 1 1147.06 1092.22 90.49 o 7 10 1 38.77 159.54 59.51 o 8 10 1 914.22 965.55 88.36 o -8 11 1 26.06 -87.25 69.43 o -7 11 1 389.90 371.97 86.90 o -6 11 1 1044.44 1020.97 89.19 o -5 11 1 242.21 225.90 59.87 o -4 11 1 3119.08 3276.81 97.90 o -3 11 1 694.15 742.09 51.72 o -2 11 1 1024.94 1108.75 42.43 o -1 11 1 959.00 952.36 38.41 o 0 11 1 748.53 730.52 37.50 o 1 11 1 176.65 213.03 26.06 o 2 11 1 226.52 225.08 27.87 o 3 11 1 96.80 121.59 32.71 o 4 11 1 1959.34 2016.60 95.16 o 5 11 1 211.52 179.89 49.85 o 6 11 1 368.87 407.92 62.19 o 7 11 1 313.89 367.08 77.04 o 8 11 1 342.05 367.93 88.54 o -8 12 1 9111.05 9056.68 316.66 o -7 12 1 4344.10 4343.33 196.73 o -6 12 1 1777.48 1861.89 113.94 o -5 12 1 576.25 665.14 123.98 o -4 12 1 971.29 993.15 77.48 o -3 12 1 9159.94 9338.17 175.47 o -2 12 1 8867.35 8839.63 144.23 o -1 12 1 19382.38 19151.22 261.27 o 0 12 1 23626.64 23557.52 281.71 o 1 12 1 24923.73 24219.11 316.03 o 2 12 1 24115.15 24157.53 291.61 o 3 12 1 25055.95 25432.53 341.95 o 4 12 1 6925.15 6669.95 148.86 o 5 12 1 3444.35 3522.27 132.97 o 6 12 1 716.23 691.13 83.86 o 7 12 1 313.38 303.70 81.84 o -7 13 1 1715.85 1824.08 152.15 o -6 13 1 3476.64 3539.47 145.38 o -5 13 1 3756.64 3666.60 139.18 o -4 13 1 3638.47 3526.51 128.58 o -3 13 1 11993.85 11897.39 212.13 o -2 13 1 20623.77 20544.13 282.67 o -1 13 1 752.62 736.34 55.11 o 0 13 1 530.06 578.08 42.55 o 1 13 1 2447.34 2381.49 90.09 o 2 13 1 3074.67 2938.54 77.88 o 3 13 1 414.38 441.08 60.09 o 4 13 1 3582.85 3347.39 125.75 o 5 13 1 3728.30 3550.38 136.48 o 6 13 1 6617.03 6443.87 195.48 o 7 13 1 3749.27 3823.41 163.48 o -7 14 1 1087.76 923.09 129.73 o -6 14 1 556.41 662.98 90.38 o -5 14 1 38.66 40.27 64.03 o -4 14 1 100.47 90.11 58.25 o -3 14 1 55.47 42.77 43.33 o -2 14 1 4373.98 4189.77 111.94 o -1 14 1 3797.15 3891.88 107.55 o 0 14 1 5026.05 4912.14 120.67 o 1 14 1 4215.66 4000.94 121.46 o 2 14 1 5187.82 5623.20 154.37 o 3 14 1 6310.79 6197.42 213.89 o 4 14 1 3393.35 3141.20 365.87 o 5 14 1 993.47 1048.66 94.25 o 6 14 1 189.85 136.18 74.94 o 7 14 1 35.46 83.14 80.62 o -6 15 1 6324.96 6298.90 202.43 o -5 15 1 7916.43 8176.14 529.30 o -4 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