#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/31/2203187.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_2203187_Fobs
loop_
_publ_author_name
'Borkowski, Lauren A.'
'Cahill, Christopher L.'
_publ_section_title
;
 A novel uranium-containing coordination polymer:
 poly[[aqua(benzene-1,3,5-tricarboxylato)dioxouranium(VI)] monohydrate]
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m198
_journal_page_last               m200
_journal_volume                  60
_journal_year                    2004
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                70.507
_cell_angle_beta                 75.840
_cell_angle_gamma                87.002
_cell_length_a                   7.8342
_cell_length_b                   8.3781
_cell_length_c                   10.6208
_exptl_crystal_F_000             468.00
_reflns_d_resolution_high        0.8005
_[local]_cod_data_source_file    fl6076Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' CAHILL4A in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            251.23
_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 0 431.03 483.42 25.54 o
2 0 0 25745.64 28668.42 544.67 o
3 0 0 2746.24 3001.58 108.21 o
4 0 0 12652.88 12687.27 280.09 o
5 0 0 597.81 797.37 74.64 o
6 0 0 5472.84 5190.60 275.79 o
7 0 0 30.17 112.43 70.92 o
8 0 0 4258.75 4001.81 269.47 o
9 0 0 46.42 156.69 96.63 o
-9 1 0 2879.26 2796.73 226.72 o
-8 1 0 198.56 313.11 97.38 o
-7 1 0 6252.55 5961.20 314.62 o
-6 1 0 2.88 64.53 54.98 o
-5 1 0 7962.97 7858.54 240.47 o
-4 1 0 617.39 918.50 170.44 o
-3 1 0 10495.68 10346.38 297.18 o
-2 1 0 338.33 384.89 25.88 o
-1 1 0 16357.97 18471.33 310.86 o
0 1 0 955.07 990.34 41.69 o
1 1 0 30732.94 32170.48 522.09 o
2 1 0 191.36 300.26 32.94 o
3 1 0 12126.82 12395.47 269.29 o
4 1 0 0.32 8.87 33.30 o
5 1 0 10953.26 11208.54 271.67 o
6 1 0 35.73 109.20 65.29 o
7 1 0 6673.85 6221.19 342.59 o
8 1 0 94.10 125.22 94.22 o
9 1 0 2466.68 2303.08 248.78 o
-9 2 0 7.58 109.27 89.75 o
-8 2 0 5306.09 5060.50 297.85 o
-7 2 0 522.88 774.45 122.74 o
-6 2 0 6142.27 6186.41 298.40 o
-5 2 0 225.24 278.08 75.70 o
-4 2 0 17273.90 17295.81 435.43 o
-3 2 0 0.95 -1.22 18.75 o
-2 2 0 17574.27 19066.32 390.91 o
-1 2 0 2.85 1.36 30.07 o
0 2 0 19664.55 20423.70 493.14 o
1 2 0 44.93 51.98 16.14 o
2 2 0 7198.75 6950.14 165.60 o
3 2 0 2.20 -22.52 22.52 o
4 2 0 10119.39 10344.65 250.43 o
5 2 0 120.02 142.48 60.65 o
6 2 0 8728.72 9096.06 438.19 o
7 2 0 352.34 415.44 112.16 o
8 2 0 4660.36 4128.26 301.56 o
9 2 0 3.39 59.03 100.47 o
-9 3 0 2845.33 2866.00 198.90 o
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-6 3 0 3.93 7.30 128.34 o
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-4 3 0 132.01 151.60 53.30 o
-3 3 0 17245.16 18143.91 393.10 o
-2 3 0 472.26 831.08 105.94 o
-1 3 0 8161.24 8443.92 289.71 o
0 3 0 329.16 512.08 75.08 o
1 3 0 8821.56 8188.12 220.98 o
2 3 0 1.02 2.63 21.21 o
3 3 0 5631.81 5270.58 150.93 o
4 3 0 0.01 17.95 31.42 o
5 3 0 7091.46 7228.71 210.23 o
6 3 0 50.62 152.43 92.92 o
7 3 0 2558.38 2546.30 257.85 o
8 3 0 5.54 142.40 104.19 o
-8 4 0 3267.65 3115.35 207.82 o
-7 4 0 407.33 345.07 86.00 o
-6 4 0 6968.36 7104.58 291.50 o
-5 4 0 13.78 47.06 50.36 o
-4 4 0 9359.22 8725.46 562.64 o
-3 4 0 165.50 318.96 47.97 o
-2 4 0 10919.35 11383.24 542.27 o
-1 4 0 39.39 102.00 45.22 o
0 4 0 11199.30 11557.97 552.34 o
1 4 0 663.27 822.21 83.95 o
2 4 0 13731.23 13627.69 260.05 o
3 4 0 323.84 426.06 65.92 o
4 4 0 10608.79 10374.30 370.56 o
5 4 0 0.01 32.85 55.18 o
6 4 0 3538.67 3056.78 255.86 o
7 4 0 0.09 22.40 99.24 o
8 4 0 1413.30 1441.49 233.04 o
-8 5 0 17.05 90.86 84.41 o
-7 5 0 4295.71 4069.53 290.33 o
-6 5 0 132.61 109.00 71.48 o
-5 5 0 6962.59 6607.66 566.42 o
-4 5 0 17.98 -68.72 68.72 o
-3 5 0 8262.19 8813.94 423.00 o
-2 5 0 75.21 78.96 46.91 o
-1 5 0 6333.63 6917.41 330.87 o
0 5 0 13.13 70.32 47.04 o
1 5 0 14656.38 15102.73 902.38 o
2 5 0 404.63 417.19 34.67 o
3 5 0 7863.44 7876.26 232.35 o
4 5 0 47.66 69.75 119.31 o
5 5 0 5346.24 5349.38 396.37 o
6 5 0 0.93 -24.26 100.20 o
7 5 0 1941.24 1863.94 268.92 o
8 5 0 6.08 59.38 146.11 o
-7 6 0 353.70 470.84 115.34 o
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-3 6 0 1122.04 1436.06 182.53 o
-2 6 0 6536.57 7164.01 385.95 o
-1 6 0 67.76 145.42 64.19 o
0 6 0 7485.55 8124.52 450.11 o
1 6 0 3.45 48.13 70.17 o
2 6 0 8208.94 8314.63 202.09 o
3 6 0 25.27 11.66 51.60 o
4 6 0 3729.54 3388.08 192.29 o
5 6 0 0.08 -77.76 77.76 o
6 6 0 1742.73 1535.02 250.71 o
7 6 0 10.17 -55.60 127.21 o
-6 7 0 201.26 360.11 146.93 o
-5 7 0 3874.37 3821.75 298.74 o
-4 7 0 229.38 325.07 125.22 o
-3 7 0 8098.35 8061.00 446.84 o
-2 7 0 185.44 339.98 110.65 o
-1 7 0 6220.98 6303.66 381.76 o
0 7 0 4.38 94.76 71.90 o
1 7 0 4828.82 4970.20 197.15 o
2 7 0 21.81 -18.68 68.47 o
3 7 0 4102.76 4184.83 185.86 o
4 7 0 8.65 -32.31 73.30 o
5 7 0 2240.25 2333.63 209.51 o
6 7 0 1.38 71.89 146.18 o
-5 8 0 218.95 7.08 117.04 o
-4 8 0 4217.30 4673.17 344.93 o
-3 8 0 96.29 224.04 128.51 o
-2 8 0 4917.99 4732.42 346.85 o
-1 8 0 17.17 -1.31 107.69 o
0 8 0 4101.95 3808.28 317.64 o
1 8 0 22.70 26.02 67.22 o
2 8 0 2243.11 2150.87 161.19 o
3 8 0 75.51 69.88 97.10 o
4 8 0 1384.92 1237.33 169.77 o
5 8 0 30.65 0.55 146.11 o
-4 9 0 46.69 -2.96 117.38 o
-3 9 0 2825.76 3217.05 339.98 o
-2 9 0 54.70 11.00 116.35 o
-1 9 0 2560.91 2236.90 303.49 o
0 9 0 1.57 -4.81 132.71 o
1 9 0 2296.58 2212.82 321.46 o
2 9 0 10.17 45.65 107.24 o
3 9 0 2049.19 1727.19 174.61 o
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-1 -9 1 2150.98 1606.72 199.94 o
0 -9 1 291.65 473.51 202.67 o
1 -9 1 2654.17 2450.91 337.44 o
2 -9 1 189.73 321.70 167.41 o
3 -9 1 2535.40 2657.56 337.71 o
-4 -8 1 1583.95 1413.79 541.17 o
-3 -8 1 1270.28 1014.40 131.17 o
-2 -8 1 1579.25 1194.99 162.64 o
-1 -8 1 829.00 778.05 134.62 o
0 -8 1 4120.33 3569.26 358.26 o
1 -8 1 1788.13 1408.50 245.48 o
2 -8 1 3606.29 3937.00 340.46 o
3 -8 1 582.68 573.23 171.88 o
4 -8 1 2999.75 3393.60 349.12 o
5 -8 1 449.36 744.49 188.51 o
-5 -7 1 1534.08 1616.94 281.70 o
-4 -7 1 282.87 395.45 114.02 o
-3 -7 1 1430.17 1292.12 155.92 o
-2 -7 1 274.47 316.92 108.64 o
-1 -7 1 3393.69 3315.78 196.85 o
0 -7 1 1056.58 1348.26 148.19 o
1 -7 1 4129.95 4116.51 318.88 o
2 -7 1 1750.97 2038.29 252.84 o
3 -7 1 2691.32 3206.53 281.70 o
4 -7 1 1177.44 1113.81 208.30 o
5 -7 1 3600.90 3423.70 337.71 o
6 -7 1 637.80 856.85 206.52 o
-6 -6 1 1605.56 1668.28 274.00 o
-5 -6 1 501.48 466.22 157.86 o
-4 -6 1 2804.07 2719.05 269.74 o
-3 -6 1 1327.29 1303.37 117.58 o
-2 -6 1 4396.33 4398.19 175.53 o
-1 -6 1 1136.45 1308.32 134.01 o
0 -6 1 6031.49 6143.23 251.45 o
1 -6 1 1556.08 1772.45 152.40 o
2 -6 1 5798.59 6118.73 245.21 o
3 -6 1 1264.49 1237.04 195.59 o
4 -6 1 2888.20 3251.48 274.07 o
5 -6 1 1941.29 2337.31 276.06 o
6 -6 1 3404.70 3683.55 316.41 o
7 -6 1 943.41 1089.83 215.59 o
-7 -5 1 1410.24 1457.78 259.09 o
-6 -5 1 814.87 807.99 186.45 o
-5 -5 1 3171.87 2905.08 178.71 o
-4 -5 1 1206.50 1374.62 113.99 o
-3 -5 1 5142.71 5223.35 150.28 o
-2 -5 1 2254.50 2221.24 71.51 o
-1 -5 1 9185.86 9259.53 520.72 o
0 -5 1 1530.79 1855.19 135.92 o
1 -5 1 6351.29 6593.34 359.39 o
2 -5 1 487.67 567.50 82.62 o
3 -5 1 7356.66 7176.57 254.37 o
4 -5 1 58.89 160.33 100.34 o
5 -5 1 7094.18 7035.53 464.51 o
6 -5 1 1143.98 1247.54 297.88 o
7 -5 1 3895.18 3806.16 232.69 o
8 -5 1 463.13 469.43 116.96 o
-8 -4 1 1294.57 1022.48 212.84 o
-7 -4 1 851.23 949.63 193.05 o
-6 -4 1 2830.03 2573.53 188.86 o
-5 -4 1 1979.06 2061.60 127.20 o
-4 -4 1 6003.22 5951.37 186.88 o
-3 -4 1 2760.10 2778.68 98.64 o
-2 -4 1 6748.07 6695.15 194.16 o
-1 -4 1 3224.30 3344.93 161.09 o
0 -4 1 15663.60 15669.22 1639.90 o
1 -4 1 7597.01 7743.26 252.86 o
2 -4 1 9644.62 9849.47 302.77 o
3 -4 1 970.22 1090.05 94.93 o
4 -4 1 12017.26 11938.53 397.33 o
5 -4 1 842.07 1101.93 127.72 o
6 -4 1 5731.70 5864.56 301.84 o
7 -4 1 551.95 823.30 118.75 o
8 -4 1 2611.59 3107.96 214.16 o
-8 -3 1 922.84 1092.16 191.60 o
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-6 -3 1 2084.95 2237.98 296.96 o
-5 -3 1 7229.47 7148.57 213.39 o
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-3 -3 1 11602.25 12065.08 283.33 o
-2 -3 1 2661.88 2697.42 102.01 o
-1 -3 1 6870.23 6898.64 222.02 o
0 -3 1 813.82 905.28 117.11 o
1 -3 1 11791.20 11260.23 317.75 o
2 -3 1 6398.63 6499.91 368.57 o
3 -3 1 11884.66 12225.78 290.58 o
4 -3 1 1943.96 1967.39 89.66 o
5 -3 1 7004.55 6917.14 261.37 o
6 -3 1 1832.29 1911.90 161.57 o
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8 -3 1 709.92 720.33 210.88 o
9 -3 1 2853.43 2691.82 196.93 o
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-7 -2 1 2649.27 2894.52 237.58 o
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0 -2 1 19040.83 19701.63 488.76 o
1 -2 1 5840.03 5147.37 164.01 o
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3 -2 1 4297.22 4172.46 124.82 o
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6 -2 1 3475.78 3546.92 218.06 o
7 -2 1 1886.22 1947.78 192.22 o
8 -2 1 3038.62 2857.62 222.60 o
9 -2 1 1224.60 1228.24 185.01 o
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-8 -1 1 1050.70 951.07 165.21 o
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0 -1 1 9672.32 9915.31 252.58 o
1 -1 1 11818.12 12295.03 255.94 o
2 -1 1 7951.13 7918.77 217.04 o
3 -1 1 18363.89 17388.13 789.81 o
4 -1 1 7360.49 7326.69 264.59 o
5 -1 1 7381.28 6961.52 235.17 o
6 -1 1 1475.85 1707.31 147.28 o
7 -1 1 4857.83 5397.25 301.36 o
8 -1 1 792.45 911.01 150.02 o
9 -1 1 3507.53 2911.29 237.99 o
-9 0 1 529.42 620.17 133.60 o
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-3 0 1 5249.12 5331.16 131.58 o
-2 0 1 14578.63 15228.96 260.29 o
-1 0 1 12674.24 13587.97 226.77 o
0 0 1 13525.73 12254.40 204.64 o
1 0 1 5964.36 6096.81 158.22 o
2 0 1 7993.01 7941.66 209.98 o
3 0 1 2228.94 2024.55 86.16 o
4 0 1 12458.99 12971.16 406.02 o
5 0 1 1585.85 1571.91 92.16 o
6 0 1 5308.03 5340.07 286.58 o
7 0 1 1199.57 1628.49 178.48 o
8 0 1 3880.50 3679.42 261.22 o
9 0 1 614.93 565.94 137.52 o
-9 1 1 2402.29 2422.66 224.38 o
-8 1 1 1150.11 1357.17 163.98 o
-7 1 1 3246.05 3031.29 202.32 o
-6 1 1 1387.53 1511.74 115.02 o
-5 1 1 4348.00 4213.89 164.27 o
-4 1 1 4451.33 4485.79 109.42 o
-3 1 1 20316.75 21351.95 406.22 o
-2 1 1 6220.15 6675.34 191.64 o
0 1 1 8408.62 8600.16 145.10 o
1 1 1 27000.40 30082.57 696.08 o
2 1 1 9877.95 10907.71 284.37 o
3 1 1 5812.72 5697.84 196.76 o
4 1 1 3647.79 3615.51 138.73 o
5 1 1 10023.54 10330.46 307.56 o
6 1 1 1513.17 1461.28 164.46 o
7 1 1 3600.69 3793.57 257.72 o
8 1 1 739.07 969.97 165.69 o
9 1 1 2194.62 2338.55 249.81 o
-9 2 1 1019.29 1095.39 154.90 o
-8 2 1 2035.99 1953.35 169.13 o
-7 2 1 2063.38 2258.07 167.00 o
-6 2 1 3583.72 3495.11 197.99 o
-5 2 1 3197.42 2972.88 110.59 o
-4 2 1 8807.13 8632.96 175.90 o
-3 2 1 14196.30 15460.94 316.50 o
-2 2 1 18531.66 19830.60 344.77 o
-1 2 1 3876.15 3942.83 72.89 o
0 2 1 10668.57 10419.17 261.66 o
1 2 1 257.93 252.83 25.34 o
2 2 1 16585.64 17489.48 441.81 o
3 2 1 2111.56 2097.26 99.94 o
4 2 1 9320.31 9891.11 294.96 o
5 2 1 1943.93 1917.53 109.74 o
6 2 1 4707.84 4924.91 290.57 o
7 2 1 200.47 368.29 107.69 o
8 2 1 2666.01 2061.38 234.42 o
9 2 1 404.33 507.80 143.36 o
-8 3 1 1288.74 1202.33 152.50 o
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-5 3 1 5525.26 5466.14 169.18 o
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-3 3 1 18877.27 21073.29 453.39 o
-2 3 1 9870.09 9924.73 170.15 o
-1 3 1 6970.00 6893.69 194.46 o
0 3 1 717.46 763.85 60.31 o
1 3 1 8660.74 8337.53 164.59 o
2 3 1 2951.80 2919.69 122.54 o
3 3 1 8541.40 9055.37 276.75 o
4 3 1 5104.47 5326.07 197.65 o
5 3 1 7496.60 7167.69 253.40 o
6 3 1 1909.69 2033.27 212.43 o
7 3 1 3608.73 3308.11 256.27 o
8 3 1 834.03 787.10 174.49 o
9 3 1 1531.10 1581.55 241.15 o
-8 4 1 3311.41 3381.21 207.22 o
-7 4 1 1302.41 1573.36 303.00 o
-6 4 1 6860.47 6958.41 279.86 o
-5 4 1 2490.13 2829.43 158.95 o
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-3 4 1 4096.69 4089.26 174.20 o
-2 4 1 9050.27 9167.70 257.68 o
-1 4 1 2399.88 2487.11 151.78 o
0 4 1 8403.02 8343.83 251.09 o
1 4 1 3688.04 3657.87 98.99 o
2 4 1 7311.74 7334.41 239.84 o
3 4 1 1583.90 1781.59 108.46 o
4 4 1 4818.82 4917.74 201.49 o
5 4 1 1886.74 2045.37 137.26 o
6 4 1 2217.81 1948.06 223.01 o
7 4 1 235.14 439.97 135.32 o
8 4 1 2051.44 1882.49 256.07 o
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0 5 1 2683.15 2674.83 131.92 o
1 5 1 6266.56 6472.85 178.67 o
2 5 1 4207.52 4259.75 144.88 o
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4 5 1 2242.70 2553.97 157.54 o
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-2 6 1 4150.70 4846.22 285.00 o
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0 6 1 10611.74 11446.85 360.57 o
1 6 1 3588.48 3589.38 117.09 o
2 6 1 6019.82 5856.87 197.26 o
3 6 1 1534.08 1744.97 149.99 o
4 6 1 2268.00 2406.24 224.56 o
5 6 1 608.84 711.23 115.77 o
6 6 1 1932.53 1740.37 254.62 o
7 6 1 626.24 692.05 190.37 o
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-3 7 1 1382.52 1574.06 196.21 o
-2 7 1 3252.76 3094.51 239.44 o
-1 7 1 2490.49 2780.03 230.43 o
0 7 1 2429.36 2534.92 175.20 o
1 7 1 3507.22 3490.61 131.76 o
2 7 1 1938.44 1932.94 108.66 o
3 7 1 2348.99 2410.91 307.03 o
4 7 1 686.61 690.23 117.62 o
5 7 1 1645.65 1793.43 185.34 o
6 7 1 591.51 607.32 184.66 o
-5 8 1 1153.86 939.32 179.16 o
-4 8 1 2845.31 3078.29 261.15 o
-3 8 1 668.77 821.60 163.77 o
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0 8 1 2616.11 2713.45 176.38 o
1 8 1 983.81 961.64 102.18 o
2 8 1 1522.00 1489.15 209.79 o
3 8 1 597.19 600.81 174.01 o
4 8 1 1478.74 1312.17 165.73 o
5 8 1 531.03 488.04 134.46 o
-4 9 1 1262.10 1418.67 222.39 o
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