#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2206153.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_2206153_Fobs loop_ _publ_author_name 'Li, Ming-Tian' 'Liao, Qin-Ling' 'Fu, Xu-Cheng' 'Wang, Cheng-Gang' _publ_section_title ; catena-Poly[[[3,7-bis(dimethylamino)phenothiazonium] lead(II)-tri-\m-iodo] N,N'-dimethylformamide] ; _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1396 _journal_page_last m1397 _journal_volume 61 _journal_year 2005 _space_group_IT_number 9 _symmetry_space_group_name_Hall 'C -2yc' _symmetry_space_group_name_H-M 'C 1 c 1' _cell_angle_alpha 90.000 _cell_angle_beta 101.163 _cell_angle_gamma 90.000 _cell_length_a 23.4584 _cell_length_b 13.9234 _cell_length_c 8.2276 _exptl_crystal_F_000 1728.00 _reflns_d_resolution_high 0.7570 _[local]_cod_data_source_file ci6594Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 050521hm in Cc' _shelx_refln_list_code 4 _shelx_f_calc_maximum 611.85 _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+1/2' 'x+1/2, y+1/2, z' 'x+1/2, -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 -4 0 -10 385.33 766.31 352.48 o -2 0 -10 1736.12 1703.50 465.71 o 0 0 -10 2713.07 2984.93 613.13 o 2 0 -10 2454.30 2753.11 591.30 o 4 0 -10 931.70 729.66 379.65 o 6 0 -10 508.15 473.13 347.12 o 8 0 -10 1171.93 1411.14 422.89 o 10 0 -10 3534.05 4563.67 707.84 o 12 0 -10 3219.61 2922.76 575.66 o -3 1 -10 699.26 617.91 246.03 o -1 1 -10 2362.03 3031.61 424.67 o 1 1 -10 3324.14 3231.76 457.48 o 3 1 -10 1649.51 1364.42 308.16 o 5 1 -10 623.55 794.21 251.91 o 7 1 -10 1101.12 1006.00 285.03 o 9 1 -10 2621.77 2417.00 381.08 o 11 1 -10 3261.93 3232.97 424.41 o 13 1 -10 1568.25 1838.36 343.55 o -2 2 -10 1994.96 1722.28 328.89 o 0 2 -10 2462.05 3090.99 423.68 o 2 2 -10 2400.13 2638.68 413.56 o 4 2 -10 1997.53 2386.65 533.04 o 6 2 -10 1748.95 1904.54 366.98 o 8 2 -10 2409.94 2935.40 567.22 o 10 2 -10 2859.04 3241.03 455.83 o 12 2 -10 2587.90 3191.12 417.62 o 14 2 -10 1723.72 2239.63 506.07 o -1 3 -10 1492.65 1641.86 338.23 o 1 3 -10 1885.61 2285.64 383.87 o 3 3 -10 2316.81 2076.03 370.21 o 5 3 -10 3021.32 3218.45 446.37 o 7 3 -10 3074.38 3762.91 485.21 o 9 3 -10 1985.20 2748.22 572.98 o 11 3 -10 2123.75 2414.24 382.88 o 13 3 -10 1821.00 2022.62 511.01 o 15 3 -10 1904.76 2153.57 490.42 o 0 4 -10 987.23 1006.08 296.23 o 2 4 -10 1323.88 1246.69 537.98 o 4 4 -10 2380.14 2610.62 420.30 o 6 4 -10 2580.93 3018.71 428.72 o 8 4 -10 2404.39 3165.08 427.00 o 10 4 -10 1238.24 1101.26 298.17 o 12 4 -10 1041.83 889.02 403.12 o 14 4 -10 1410.38 1717.91 477.24 o 1 5 -10 306.71 448.01 357.01 o 3 5 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181.14 o 4 2 -9 802.66 881.61 275.89 o 6 2 -9 961.95 883.92 247.05 o 8 2 -9 699.61 860.90 248.50 o 10 2 -9 827.26 768.53 239.11 o 12 2 -9 619.51 647.85 221.12 o 14 2 -9 501.78 604.48 307.18 o -11 3 -9 178.10 303.59 216.71 o -9 3 -9 56.30 52.85 224.62 o -7 3 -9 184.86 283.19 166.66 o -5 3 -9 485.05 448.80 187.49 o -3 3 -9 9.83 -14.07 136.49 o -1 3 -9 475.46 467.76 211.47 o 1 3 -9 731.45 842.66 241.94 o 3 3 -9 212.65 317.77 202.63 o 5 3 -9 1252.63 1487.22 293.32 o 7 3 -9 254.29 675.78 234.74 o 9 3 -9 709.16 419.41 212.98 o 11 3 -9 688.79 689.47 234.59 o 13 3 -9 5.03 -166.36 226.47 o 15 3 -9 651.19 990.72 359.48 o 21 3 -9 261.81 296.06 247.47 o -10 4 -9 132.86 182.00 280.00 o -8 4 -9 79.27 52.25 164.80 o -6 4 -9 516.00 983.01 236.03 o -4 4 -9 474.40 605.52 207.96 o -2 4 -9 234.57 301.01 201.75 o 0 4 -9 479.01 248.17 192.38 o 2 4 -9 305.44 203.50 201.82 o 4 4 -9 757.85 1085.48 273.19 o 6 4 -9 1029.07 1238.59 276.95 o 8 4 -9 406.81 564.11 238.02 o 10 4 -9 674.15 760.18 233.69 o 12 4 -9 233.61 249.48 220.30 o 14 4 -9 377.86 380.07 303.48 o 16 4 -9 569.71 246.24 292.77 o 20 4 -9 144.55 303.89 250.77 o -9 5 -9 33.52 70.82 270.12 o -7 5 -9 67.72 206.17 188.06 o -5 5 -9 69.30 123.65 176.70 o -3 5 -9 3.01 248.40 196.02 o -1 5 -9 2.09 134.97 174.42 o 1 5 -9 60.57 134.19 183.29 o 3 5 -9 226.34 31.19 179.98 o 5 5 -9 151.63 248.29 191.28 o 7 5 -9 6.91 27.99 190.03 o 9 5 -9 30.60 -56.70 169.08 o 11 5 -9 14.34 175.44 192.42 o 13 5 -9 88.41 54.77 259.00 o 15 5 -9 90.48 -136.30 248.30 o -8 6 -9 163.11 95.53 256.95 o -6 6 -9 218.00 342.59 202.63 o -4 6 -9 228.26 302.75 202.48 o -2 6 -9 303.78 384.82 208.73 o 0 6 -9 345.11 369.58 199.63 o 2 6 -9 358.82 381.23 215.80 o 4 6 -9 502.58 346.29 225.04 o 6 6 -9 251.55 220.01 202.83 o 8 6 -9 210.15 388.62 216.91 o 10 6 -9 405.70 553.80 259.00 o 12 6 -9 372.37 127.65 272.59 o 14 6 -9 202.43 257.36 314.18 o 16 6 -9 123.34 134.24 324.06 o -7 7 -9 281.48 111.59 280.83 o -5 7 -9 508.97 813.27 309.86 o -3 7 -9 383.26 263.12 195.77 o -1 7 -9 792.36 1152.83 275.73 o 1 7 -9 1172.94 1077.15 275.37 o 3 7 -9 408.37 582.75 232.55 o 5 7 -9 1219.85 1451.72 301.93 o 7 7 -9 1027.42 927.06 493.71 o 9 7 -9 1118.26 1062.72 347.95 o 11 7 -9 1140.72 1135.26 406.01 o 13 7 -9 456.05 722.25 341.36 o 15 7 -9 478.38 411.77 336.42 o 17 7 -9 458.95 679.42 344.65 o -4 8 -9 146.03 411.77 311.71 o -2 8 -9 269.97 106.55 199.86 o 0 8 -9 859.23 686.24 246.37 o 2 8 -9 173.08 381.37 213.92 o 4 8 -9 496.94 620.00 269.38 o 6 8 -9 274.93 514.79 251.22 o 8 8 -9 222.62 318.96 242.41 o 10 8 -9 871.52 954.90 419.60 o 12 8 -9 295.44 323.65 323.24 o 14 8 -9 226.69 410.12 338.48 o 1 9 -9 143.85 170.35 217.98 o 3 9 -9 0.50 -151.50 186.58 o 5 9 -9 216.45 412.34 254.14 o 7 9 -9 17.22 -84.29 200.21 o 9 9 -9 245.48 119.41 322.83 o 11 9 -9 226.21 131.77 308.01 o 4 10 -9 12.94 -113.24 310.06 o 6 10 -9 45.19 130.53 364.42 o 8 10 -9 58.94 76.59 337.65 o -16 0 -8 1751.78 2219.45 613.13 o -14 0 -8 1371.34 1519.27 304.55 o -12 0 -8 1465.68 1099.71 266.94 o -10 0 -8 314.11 549.11 216.44 o -8 0 -8 5512.03 6165.82 1041.58 o -6 0 -8 11689.71 11926.97 1049.19 o -4 0 -8 9690.21 9184.16 911.66 o 0 0 -8 4011.81 3841.01 629.60 o 2 0 -8 10457.82 11038.78 994.02 o 4 0 -8 24907.00 24144.24 1919.27 o 6 0 -8 19055.57 18950.98 1532.61 o 8 0 -8 6316.08 5733.92 721.84 o 10 0 -8 3765.35 3747.12 566.60 o 12 0 -8 8308.28 7991.26 785.66 o 14 0 -8 13947.63 15234.33 1190.43 o 16 0 -8 10391.54 11953.33 982.49 o 18 0 -8 3379.76 4101.25 536.95 o 20 0 -8 1365.78 1225.84 362.77 o 22 0 -8 1602.41 1652.44 397.77 o 24 0 -8 2132.35 1758.68 466.13 o -15 1 -8 1243.65 1256.79 281.81 o -13 1 -8 440.12 433.71 163.51 o -11 1 -8 1702.51 1771.81 247.39 o -9 1 -8 4186.63 4512.33 365.71 o -7 1 -8 7277.33 7327.54 455.39 o -5 1 -8 8081.55 7943.41 577.38 o -3 1 -8 4067.22 4395.19 636.19 o -1 1 -8 2307.85 2388.58 408.07 o 1 1 -8 6673.82 6013.41 541.67 o 3 1 -8 13784.58 13640.91 843.49 o 5 1 -8 17015.95 17274.58 952.48 o 7 1 -8 9160.08 9539.39 642.60 o 9 1 -8 3768.74 3804.73 800.28 o 11 1 -8 3031.79 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721.89 o 2 6 -8 6188.49 6615.47 566.13 o 4 6 -8 3116.86 3472.16 421.43 o 6 6 -8 3827.78 4175.12 590.07 o 8 6 -8 10398.24 11231.89 726.38 o 10 6 -8 12851.43 12506.04 793.42 o 12 6 -8 6925.70 7242.44 644.22 o 14 6 -8 2348.56 2536.06 327.80 o 16 6 -8 1740.34 1896.33 306.84 o 18 6 -8 3015.86 3306.94 518.83 o 20 6 -8 4082.24 3133.58 538.60 o 22 6 -8 2095.11 2046.45 323.19 o -11 7 -8 1827.36 2349.39 308.19 o -9 7 -8 1529.86 1846.76 304.47 o -7 7 -8 914.77 883.01 237.87 o -5 7 -8 946.07 878.48 237.26 o -3 7 -8 2625.78 3045.65 398.19 o -1 7 -8 5880.06 6654.85 558.74 o 1 7 -8 5093.80 5577.56 526.91 o 3 7 -8 1514.99 1809.39 350.21 o 5 7 -8 1946.15 2051.13 330.76 o 7 7 -8 3650.82 4089.29 445.08 o 9 7 -8 6003.35 6644.77 541.84 o 11 7 -8 3920.21 4183.11 486.51 o 13 7 -8 1611.86 1727.61 279.27 o 15 7 -8 926.99 960.38 238.10 o 17 7 -8 1708.75 1736.88 297.79 o 19 7 -8 2156.63 2055.98 451.71 o 21 7 -8 1402.58 1275.26 391.60 o -10 8 -8 670.48 842.07 340.54 o -8 8 -8 1187.34 1315.79 287.93 o -6 8 -8 1433.66 1397.63 296.48 o -4 8 -8 1659.41 1735.34 323.71 o -2 8 -8 1493.33 1635.41 349.59 o 0 8 -8 1674.31 2125.42 348.26 o 2 8 -8 2485.24 2747.09 383.10 o 4 8 -8 2896.64 2815.02 396.95 o 6 8 -8 2051.63 2102.89 344.77 o 8 8 -8 2374.18 2412.96 443.89 o 10 8 -8 2190.09 2243.82 346.48 o 12 8 -8 1762.87 1735.19 298.53 o 14 8 -8 1577.56 1487.87 275.17 o 16 8 -8 1210.02 1271.98 274.32 o 18 8 -8 1080.46 974.79 257.70 o -9 9 -8 525.35 643.19 316.65 o -7 9 -8 1252.16 1537.97 313.96 o -5 9 -8 1615.17 2188.45 476.63 o -3 9 -8 895.52 1406.01 295.00 o -1 9 -8 460.36 514.18 213.41 o 1 9 -8 1261.66 1394.21 291.43 o 3 9 -8 2323.82 2593.13 390.30 o 5 9 -8 3453.88 2893.76 402.85 o 7 9 -8 1980.13 2555.67 382.30 o 9 9 -8 605.16 723.52 255.96 o 11 9 -8 644.63 603.69 271.98 o 13 9 -8 1448.89 1780.67 305.32 o 15 9 -8 1885.44 1718.85 315.20 o 17 9 -8 1416.15 1508.34 296.04 o -6 10 -8 2757.37 4196.78 669.13 o -4 10 -8 1421.86 1370.91 309.13 o -2 10 -8 919.33 1203.16 283.35 o 0 10 -8 1017.02 1277.00 304.26 o 2 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