#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/67/2226735.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_2226735_Fobs loop_ _publ_author_name 'Mohammadnezhad, Gholamhossein' 'Ghanbarpour, Ali Reza' 'Amini, Mostafa M.' 'Ng, Seik Weng' _publ_section_title ; catena-Poly[[(1,10-phenanthroline-\k^2^N,N')lead(II)]-\m-azido-\k^2^N^1^:N^3^-\m-nitrito-\k^3^O,O':O'-[(1,10-phenanthroline-\k^2^N,N')lead(II)]-di-\m-azido-\k^4^N^1^:N^1^] ; _journal_coeditor_code XU2775 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m821 _journal_volume 66 _journal_year 2010 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 90.541 _cell_angle_beta 109.665 _cell_angle_gamma 104.626 _cell_length_a 7.6860 _cell_length_b 9.2056 _cell_length_c 9.9080 _exptl_crystal_F_000 438.00 _reflns_d_resolution_high 0.7696 _[local]_cod_data_source_file xu2775Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 284.09 _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' 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 26656.11 25625.33 1270.00 o 2 0 0 2119.11 2046.35 74.81 o 3 0 0 1280.07 1362.79 61.16 o 4 0 0 23.73 63.47 13.22 o 5 0 0 2804.56 3028.32 118.83 o 6 0 0 4981.86 5156.83 226.48 o 7 0 0 7056.03 7610.56 398.57 o 8 0 0 3463.05 4067.64 267.16 o 9 0 0 1190.20 1377.04 153.20 o -8 1 0 211.67 238.08 49.30 o -7 1 0 1472.40 1416.88 88.12 o -6 1 0 945.01 912.97 64.12 o -5 1 0 5619.42 5713.29 175.33 o -4 1 0 16492.28 16293.00 489.89 o -3 1 0 11209.03 10734.94 308.29 o -2 1 0 6656.47 5994.11 173.22 o -1 1 0 324.21 1072.62 90.23 o 0 1 0 2495.47 2733.59 141.66 o 2 1 0 21134.82 21650.67 608.77 o 3 1 0 8015.85 8573.80 301.92 o 4 1 0 4525.49 4600.63 170.61 o 5 1 0 6204.44 6551.05 239.74 o 6 1 0 1572.77 1739.52 92.93 o 7 1 0 109.78 242.92 68.09 o 8 1 0 971.06 1355.97 141.66 o -9 2 0 3560.23 3809.59 243.93 o -8 2 0 3863.12 3939.20 436.22 o -7 2 0 3707.02 3731.13 171.61 o -6 2 0 1289.41 1315.48 150.17 o -5 2 0 2.11 28.99 23.87 o -4 2 0 717.55 684.66 30.71 o -3 2 0 11462.71 11212.42 322.72 o -2 2 0 80707.22 68068.98 2447.28 o -1 2 0 23366.68 23722.97 664.61 o 0 2 0 8804.79 9227.15 265.52 o 1 2 0 7899.48 8269.60 235.87 o 2 2 0 1080.39 1331.28 46.17 o 3 2 0 377.54 381.32 23.31 o 4 2 0 3605.34 3905.74 123.78 o 5 2 0 9191.10 10304.49 305.48 o 6 2 0 5750.84 5980.71 353.13 o 7 2 0 2716.76 3146.73 225.32 o 8 2 0 1098.70 1361.46 154.93 o -9 3 0 53.21 75.72 56.55 o -8 3 0 231.53 303.54 62.03 o -7 3 0 3453.38 3391.52 212.34 o -6 3 0 7900.54 7854.73 315.42 o -5 3 0 9010.92 8919.08 348.22 o -4 3 0 8681.99 8939.03 264.34 o -3 3 0 2317.23 2274.36 118.20 o -2 3 0 205.54 325.78 21.03 o -1 3 0 177.69 139.09 13.93 o 0 3 0 16373.10 15824.25 446.28 o 1 3 0 10267.77 10344.54 367.56 o 2 3 0 8733.71 8802.52 254.62 o 3 3 0 8532.32 8774.95 359.03 o 4 3 0 3548.31 3800.64 125.56 o 5 3 0 245.89 263.91 35.52 o 6 3 0 47.24 145.12 61.45 o 7 3 0 1591.68 2143.31 184.07 o 8 3 0 2929.16 3724.60 278.70 o -9 4 0 2790.47 2788.25 156.67 o -8 4 0 2284.58 2347.85 294.28 o -7 4 0 459.57 546.80 204.84 o -6 4 0 22.27 73.81 36.10 o -5 4 0 1981.06 2111.31 107.99 o -4 4 0 19180.56 19407.41 568.16 o -3 4 0 18548.88 19421.80 556.06 o -2 4 0 17835.60 17800.46 509.66 o -1 4 0 12211.42 11800.20 338.19 o 0 4 0 2584.96 2388.59 76.18 o 1 4 0 928.14 996.06 49.12 o 2 4 0 929.84 941.16 49.90 o 3 4 0 7380.27 7643.71 277.20 o 4 4 0 7313.73 7671.71 281.58 o 5 4 0 5213.43 5432.56 254.32 o 6 4 0 3385.54 2937.56 214.65 o 7 4 0 2011.64 1944.24 180.32 o -9 5 0 882.46 941.50 190.41 o -8 5 0 2183.44 2283.92 137.80 o -7 5 0 4765.98 5151.01 247.68 o -6 5 0 7661.06 8287.91 336.58 o -5 5 0 3480.04 3680.58 166.60 o -4 5 0 274.46 315.34 38.08 o -3 5 0 169.17 206.51 22.62 o -2 5 0 4908.91 4827.75 214.36 o -1 5 0 4931.64 4966.03 179.39 o 0 5 0 5824.28 5665.98 170.54 o 1 5 0 8388.18 8027.50 287.45 o 2 5 0 7945.07 7503.86 272.36 o 3 5 0 2775.28 2687.11 115.77 o 4 5 0 398.00 401.74 42.47 o 5 5 0 565.53 678.28 95.50 o 6 5 0 2170.74 2230.43 190.13 o 7 5 0 3063.51 2978.82 242.63 o -9 6 0 1048.40 1286.30 208.45 o -8 6 0 616.59 650.66 123.91 o -7 6 0 143.05 237.87 83.38 o -6 6 0 6010.27 6577.78 314.90 o -5 6 0 10466.05 10463.25 407.11 o -4 6 0 10313.90 10504.10 317.03 o -3 6 0 8125.46 8257.08 250.95 o -2 6 0 4307.19 4308.62 137.82 o -1 6 0 4175.57 4383.78 138.06 o 0 6 0 17.91 42.33 11.97 o 1 6 0 3183.10 3118.21 128.51 o 2 6 0 5636.36 5326.93 204.27 o 3 6 0 6024.18 6000.68 230.20 o 4 6 0 5144.54 5110.91 206.49 o 5 6 0 3006.52 2743.77 133.66 o 6 6 0 856.81 912.54 133.29 o -8 7 0 4847.34 5384.53 251.05 o -7 7 0 2726.94 3127.02 317.36 o -6 7 0 1112.41 1037.57 83.58 o -5 7 0 990.19 901.12 74.00 o -4 7 0 428.99 496.00 39.92 o -3 7 0 1319.76 1289.40 59.01 o -2 7 0 3054.45 3006.70 104.48 o -1 7 0 8482.29 8259.76 249.11 o 0 7 0 10581.85 9804.52 355.31 o 1 7 0 4776.25 4723.56 188.05 o 2 7 0 1123.99 1107.76 68.75 o 3 7 0 34.73 24.24 28.63 o 4 7 0 621.53 638.75 64.77 o 5 7 0 2863.77 2722.06 137.53 o -8 8 0 1450.23 1559.31 188.83 o -7 8 0 3322.17 3498.65 178.02 o -6 8 0 3692.01 3677.88 174.48 o -5 8 0 5037.04 5185.16 241.91 o -4 8 0 5309.15 5754.82 190.58 o -3 8 0 5377.48 5660.10 184.59 o -2 8 0 326.56 393.45 33.64 o -1 8 0 271.74 350.90 42.74 o 0 8 0 1916.18 1863.92 97.00 o 1 8 0 3875.04 3803.66 162.15 o 2 8 0 5067.78 4976.95 202.69 o 3 8 0 4009.22 3847.55 168.65 o 4 8 0 2693.15 2464.06 128.47 o 5 8 0 659.10 634.74 91.31 o -7 9 0 1322.36 1380.43 105.31 o -6 9 0 34.79 49.33 38.14 o -5 9 0 180.90 263.95 46.09 o -4 9 0 1060.41 1192.75 65.17 o -3 9 0 4585.14 4697.94 160.04 o -2 9 0 6356.20 6392.11 345.34 o -1 9 0 4280.01 4429.11 371.45 o 0 9 0 2087.82 2147.74 111.45 o 1 9 0 1333.74 1285.09 84.19 o 2 9 0 6.40 -3.23 32.16 o 3 9 0 1648.38 1617.12 112.52 o 4 9 0 2858.47 3093.47 156.41 o -7 10 0 2920.21 2933.44 162.19 o -6 10 0 3565.03 4020.04 268.17 o -5 10 0 3970.62 4289.41 194.53 o -4 10 0 1250.18 1324.01 98.66 o -3 10 0 172.66 260.36 47.77 o -2 10 0 313.40 313.22 50.48 o -1 10 0 1723.26 1807.14 106.08 o 0 10 0 3440.87 3692.82 280.28 o 1 10 0 4193.32 3908.69 268.60 o 2 10 0 3729.61 3437.54 163.49 o -5 11 0 1343.39 1651.12 142.23 o -4 11 0 2728.76 3146.26 157.32 o -3 11 0 3453.15 3900.67 369.29 o -2 11 0 2886.77 3351.03 443.00 o -1 11 0 2718.37 2994.06 326.44 o 0 11 0 243.81 279.42 56.50 o 1 11 0 324.48 365.82 83.38 o -1 -11 1 65.98 86.55 62.61 o 0 -11 1 1099.41 1249.80 132.14 o 1 -11 1 2068.75 2276.02 187.24 o 2 -11 1 3805.29 3916.46 267.16 o 3 -11 1 4654.87 4995.76 322.26 o 4 -11 1 2088.35 2454.31 174.55 o 5 -11 1 338.63 383.56 57.32 o -3 -10 1 2029.80 1820.47 156.08 o -2 -10 1 4964.84 4421.34 271.19 o -1 -10 1 4080.93 3985.99 252.44 o 0 -10 1 2717.69 2738.37 248.26 o 1 -10 1 582.55 579.18 76.74 o 2 -10 1 156.50 239.04 47.17 o 3 -10 1 1422.91 1537.18 123.62 o 4 -10 1 1693.83 1856.79 86.88 o 5 -10 1 3512.61 3692.19 173.35 o 6 -10 1 3587.42 3880.21 189.71 o -4 -9 1 1716.64 1524.75 137.62 o -3 -9 1 92.05 87.57 41.45 o -2 -9 1 454.05 441.46 55.65 o -1 -9 1 867.51 913.89 71.09 o 0 -9 1 4279.36 4441.75 360.05 o 1 -9 1 8212.43 8603.46 523.78 o 2 -9 1 5862.86 6276.75 202.71 o 3 -9 1 2382.05 2514.76 99.69 o 4 -9 1 782.89 796.86 58.35 o 5 -9 1 10.73 43.74 33.90 o 6 -9 1 924.93 912.72 83.57 o 7 -9 1 2380.44 2395.29 144.67 o -5 -8 1 1331.18 1320.39 96.03 o -4 -8 1 4842.18 4632.84 223.30 o -3 -8 1 5482.46 5333.91 309.57 o -2 -8 1 5083.97 4710.65 194.39 o -1 -8 1 2241.61 2178.31 120.45 o 0 -8 1 228.72 234.99 38.76 o 1 -8 1 297.85 375.61 32.05 o 2 -8 1 1417.37 1504.67 66.17 o 3 -8 1 5515.80 5318.53 175.11 o 4 -8 1 6122.53 6550.87 212.55 o 5 -8 1 3352.92 3640.32 170.47 o 6 -8 1 1444.90 1506.63 102.79 o 7 -8 1 467.58 584.41 109.49 o 8 -8 1 89.40 71.89 57.43 o -6 -7 1 2963.89 2811.79 146.52 o -5 -7 1 744.17 700.81 69.15 o -4 -7 1 3.09 20.75 32.43 o -3 -7 1 38.52 17.50 26.61 o -2 -7 1 3957.13 3897.36 196.62 o -1 -7 1 10688.01 10307.19 427.85 o 0 -7 1 11303.07 11197.92 331.01 o 1 -7 1 7122.18 7223.48 220.90 o 2 -7 1 3985.73 3941.13 130.85 o 3 -7 1 131.57 148.53 23.04 o 4 -7 1 279.13 259.44 30.39 o 5 -7 1 2027.20 1955.73 126.22 o 6 -7 1 5367.13 5386.81 241.23 o 7 -7 1 4367.60 4753.97 227.71 o 8 -7 1 2187.89 2473.73 153.82 o -6 -6 1 2868.64 2766.06 139.99 o -5 -6 1 4797.03 4522.03 192.02 o -4 -6 1 6989.51 6993.85 268.89 o -3 -6 1 6552.70 6343.06 241.24 o -2 -6 1 2692.66 2666.82 115.05 o -1 -6 1 58.93 76.27 14.80 o 0 -6 1 701.55 713.73 35.24 o 1 -6 1 4163.30 4007.53 127.64 o 2 -6 1 7378.56 7034.97 256.25 o 3 -6 1 8525.55 8301.27 277.49 o 4 -6 1 6161.80 6095.20 192.73 o 5 -6 1 2410.84 2327.36 322.40 o 6 -6 1 119.18 133.27 54.96 o 7 -6 1 80.07 54.54 70.83 o 8 -6 1 1722.98 1828.22 161.56 o -7 -5 1 1880.37 1961.55 186.09 o -6 -5 1 760.75 791.37 114.25 o -5 -5 1 470.80 424.47 49.63 o -4 -5 1 2282.74 2366.52 109.81 o -3 -5 1 7402.92 7004.11 258.60 o -2 -5 1 11341.87 11923.93 419.09 o -1 -5 1 11493.48 12335.87 357.01 o 0 -5 1 11074.30 11396.54 330.08 o 1 -5 1 2207.48 2161.94 73.15 o 2 -5 1 734.70 804.97 37.23 o 3 -5 1 561.13 584.05 33.85 o 4 -5 1 7138.16 7743.03 321.27 o 5 -5 1 8842.92 8712.47 465.21 o 6 -5 1 4285.67 4493.57 205.35 o 7 -5 1 3753.67 3837.23 190.96 o 8 -5 1 1261.38 1308.65 103.81 o -7 -4 1 3301.57 2954.29 225.90 o -6 -4 1 6803.11 6541.41 612.21 o -5 -4 1 8796.91 8627.75 478.05 o -4 -4 1 4441.04 4744.24 191.13 o -3 -4 1 1136.05 1147.34 59.96 o -2 -4 1 2.34 57.37 11.30 o -1 -4 1 748.09 645.96 27.85 o 0 -4 1 8032.18 7882.41 229.28 o 1 -4 1 15398.85 14829.80 828.44 o 2 -4 1 13387.95 13988.61 401.70 o 3 -4 1 4788.45 4873.24 150.10 o 4 -4 1 1355.41 1461.55 124.65 o 5 -4 1 109.58 166.64 36.87 o 6 -4 1 899.32 842.33 71.33 o 7 -4 1 1761.12 1814.38 129.68 o 8 -4 1 2230.64 2436.09 202.24 o 9 -4 1 3848.93 4038.84 204.15 o -8 -3 1 1672.06 2083.01 187.24 o -7 -3 1 1380.62 1505.71 148.29 o -6 -3 1 173.29 203.01 35.81 o -5 -3 1 2407.53 2452.81 225.32 o -4 -3 1 7928.50 7636.79 229.61 o -3 -3 1 13953.94 14734.18 423.64 o -2 -3 1 20888.09 22050.85 623.23 o -1 -3 1 12118.93 12369.04 351.12 o 0 -3 1 6245.40 6160.24 178.60 o 1 -3 1 14.58 122.52 16.14 o 2 -3 1 8367.83 8664.86 250.51 o 3 -3 1 11000.89 10665.30 396.44 o 4 -3 1 6431.55 5864.19 234.94 o 5 -3 1 9745.10 9466.74 369.17 o 6 -3 1 5452.96 5454.01 233.48 o 7 -3 1 2235.70 2388.00 128.55 o 8 -3 1 6.96 38.70 42.40 o 9 -3 1 287.99 283.11 131.99 o -8 -2 1 3993.66 4508.18 299.76 o -7 -2 1 6476.65 7416.89 431.03 o -6 -2 1 4508.84 5076.10 163.60 o -5 -2 1 4346.06 4562.12 144.70 o -4 -2 1 1565.70 1574.42 58.81 o -3 -2 1 73.06 149.56 19.34 o -2 -2 1 5884.07 6175.49 179.99 o -1 -2 1 9557.78 10112.62 287.76 o 1 -2 1 7743.85 8342.42 237.45 o 2 -2 1 6600.72 6333.45 266.27 o 3 -2 1 2286.83 2224.86 98.04 o 4 -2 1 29.92 71.81 23.53 o 5 -2 1 769.27 822.67 77.18 o 6 -2 1 2918.02 3163.47 452.23 o 7 -2 1 7130.07 7573.26 704.53 o 8 -2 1 3685.25 4027.78 373.47 o 9 -2 1 2132.24 2267.94 193.88 o -9 -1 1 2119.15 3158.56 248.11 o -8 -1 1 415.97 675.10 103.86 o -7 -1 1 434.75 455.01 51.79 o -6 -1 1 4479.44 4706.63 413.14 o -5 -1 1 9554.90 9683.40 455.00 o -4 -1 1 16015.17 17409.14 596.71 o -3 -1 1 18131.76 19565.51 555.44 o -2 -1 1 8668.70 8766.46 250.70 o -1 -1 1 896.38 954.26 31.02 o 0 -1 1 3450.75 3732.41 108.01 o 1 -1 1 7367.98 7272.13 205.69 o 2 -1 1 8402.21 8378.12 308.80 o 3 -1 1 17664.07 18331.19 666.66 o 4 -1 1 11249.62 11765.68 440.44 o 5 -1 1 5234.27 5536.31 226.07 o 6 -1 1 877.70 1006.98 71.10 o 7 -1 1 22.71 44.47 35.82 o 8 -1 1 496.20 714.92 103.57 o -9 0 1 4070.88 4837.08 318.80 o -8 0 1 4099.42 4086.80 185.74 o -7 0 1 5611.73 5795.68 240.10 o -6 0 1 2992.08 3084.83 182.34 o -5 0 1 894.19 989.24 66.58 o -4 0 1 887.69 1206.84 56.23 o -3 0 1 2172.52 2205.90 114.54 o -2 0 1 12747.28 12269.33 348.99 o -1 0 1 16976.09 16558.21 610.91 o 0 0 1 10872.30 11878.63 609.32 o 1 0 1 5286.64 5076.62 145.16 o 2 0 1 2299.09 2571.40 78.38 o 3 0 1 47.61 129.66 23.37 o 4 0 1 2123.27 2191.04 73.97 o 5 0 1 8069.85 9126.65 352.61 o 6 0 1 5985.86 7111.94 408.52 o 7 0 1 5941.80 6863.22 281.79 o 8 0 1 2784.13 3170.10 225.61 o -9 1 1 2.34 17.29 38.18 o -8 1 1 1015.66 1024.72 109.34 o -7 1 1 2994.12 2868.74 136.97 o -6 1 1 7779.67 7571.60 298.64 o -5 1 1 15324.34 14806.17 428.44 o -4 1 1 9629.80 8967.63 291.38 o -3 1 1 7353.15 6747.97 198.55 o -2 1 1 160.19 278.65 15.73 o -1 1 1 3212.58 3550.67 103.64 o 0 1 1 8583.21 8607.22 243.58 o 1 1 1 12671.65 13209.39 373.67 o 2 1 1 15469.28 17727.32 500.44 o 3 1 1 13508.92 14326.70 476.31 o 4 1 1 7070.95 7358.46 291.97 o 5 1 1 1235.10 1295.39 74.75 o 6 1 1 51.39 113.47 32.92 o 7 1 1 2245.98 2831.97 207.44 o 8 1 1 2247.56 2951.41 223.88 o -9 2 1 3352.00 3478.48 225.18 o -8 2 1 2792.77 2913.98 363.95 o -7 2 1 2357.24 2431.93 252.01 o -6 2 1 171.70 254.17 99.39 o -5 2 1 541.23 504.46 60.63 o -4 2 1 8129.36 7876.38 233.16 o -3 2 1 11607.48 11086.07 320.90 o -2 2 1 3194.74 3481.91 146.94 o -1 2 1 6021.42 6006.79 173.45 o 0 2 1 10642.18 10176.09 288.93 o 1 2 1 1094.03 1213.69 40.31 o 2 2 1 163.82 188.86 21.65 o 3 2 1 4476.89 4840.82 146.09 o 4 2 1 7733.23 8524.93 252.87 o 5 2 1 10485.46 11332.00 449.19 o 6 2 1 5081.46 5501.80 335.24 o 7 2 1 2461.68 2819.56 216.38 o 8 2 1 612.06 757.61 123.77 o -9 3 1 536.29 477.18 65.07 o -8 3 1 4164.57 3970.19 185.13 o -7 3 1 9856.45 9510.24 376.48 o -6 3 1 6883.79 7126.68 416.02 o -5 3 1 8769.84 8593.60 372.08 o -4 3 1 2019.00 1840.05 86.98 o -3 3 1 264.40 412.14 37.16 o -2 3 1 2796.86 2740.93 126.58 o -1 3 1 4176.85 3666.15 133.27 o 0 3 1 17143.65 16825.81 476.67 o 1 3 1 23487.71 24086.74 814.51 o 2 3 1 15800.73 17027.25 483.90 o 3 3 1 2838.39 2425.43 154.64 o 4 3 1 178.29 208.90 29.98 o 5 3 1 953.72 1007.41 63.06 o 6 3 1 1509.10 1393.19 135.60 o 7 3 1 3364.93 3964.06 277.25 o -9 4 1 2890.78 3010.59 325.87 o -8 4 1 980.86 1045.60 199.21 o -7 4 1 0.47 21.13 33.27 o -6 4 1 1773.51 1763.78 172.38 o -5 4 1 3888.08 3752.00 124.83 o -4 4 1 1624.07 1454.40 79.64 o -3 4 1 8959.35 8990.17 266.94 o -1 4 1 5187.44 4783.35 145.01 o 0 4 1 318.78 361.01 19.10 o 1 4 1 1078.04 1091.01 53.66 o 2 4 1 6704.99 6688.90 241.17 o 3 4 1 10383.69 10233.84 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