#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2008747.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_2008747_Fobs
loop_
_publ_author_name
'Gordon, P. L.'
'Thompson, J. A.'
'Watkin, J. G.'
'Burns, C. J.'
'Sauer, N. N.'
'Scott, B. L.'
_publ_section_title
;
 Tetrachlorotetrakis(propan-2-ol)uranium(IV) and
 tetrachlorotetrakis(propan-2-ol)thorium(IV)
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1275
_journal_page_last               1278
_journal_volume                  55
_journal_year                    1999
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   10.3300
_cell_length_b                   10.3300
_cell_length_c                   20.2220
_exptl_crystal_F_000             1184.00
_reflns_d_resolution_high        0.8426
_[local]_cod_data_source_file    bk1458ucl2sup2.hkl
_[local]_cod_data_source_block   ucl2
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' ucl2 in I4(1)/a'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            411.28
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-y+3/4, x+1/4, z+1/4'
'y+3/4, -x+3/4, z+3/4'
'x+1/2, y+1/2, z+1/2'
'-x+1, -y+1/2, z+1'
'-y+5/4, x+3/4, z+3/4'
'y+5/4, -x+5/4, z+5/4'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'y-3/4, -x-1/4, -z-1/4'
'-y-3/4, x-3/4, -z-3/4'
'-x+1/2, -y+1/2, -z+1/2'
'x, y+1/2, -z'
'y-1/4, -x+1/4, -z+1/4'
'-y-1/4, x-1/4, -z-1/4'
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
0 2 0 76557.53 72396.33 1967.75 o
2 2 0 1587.80 2169.87 149.97 o
-2 4 0 143949.42 148852.23 1143.39 o
0 4 0 101025.96 97036.57 1472.78 o
2 4 0 57412.84 49809.79 510.38 o
4 4 0 65830.88 66634.40 1208.92 o
-4 6 0 14012.29 14921.45 393.82 o
-2 6 0 50190.54 49152.07 489.35 o
0 6 0 9556.76 9396.33 215.64 o
2 6 0 31070.74 29184.46 509.15 o
4 6 0 29713.59 27292.96 764.73 o
6 6 0 49469.24 47745.10 1058.38 o
-6 8 0 16438.84 17549.50 1319.40 o
-4 8 0 33294.17 34380.14 800.22 o
-2 8 0 97101.88 94220.84 2597.58 o
0 8 0 44271.02 41141.01 383.99 o
2 8 0 48286.46 46138.79 680.58 o
4 8 0 11433.20 11389.52 423.93 o
6 8 0 33271.63 32138.79 656.68 o
8 8 0 6553.26 6221.42 398.84 o
-6 10 0 10035.46 10472.34 470.33 o
-4 10 0 14314.11 14615.39 729.53 o
-2 10 0 5462.24 5200.26 300.51 o
0 10 0 7120.27 7128.18 235.54 o
2 10 0 28343.13 27201.10 815.96 o
4 10 0 25270.05 24770.73 615.57 o
6 10 0 26827.64 26753.65 971.09 o
-2 12 0 12912.79 13067.02 444.42 o
0 12 0 17691.18 16707.16 664.68 o
2 12 0 8673.44 9239.55 856.61 o
0 1 1 106923.08 81479.57 7406.31 o
-1 2 1 60068.63 61970.78 530.33 o
1 2 1 11194.53 11825.33 659.41 o
-2 3 1 24013.69 23961.22 571.55 o
0 3 1 41251.20 39386.48 995.32 o
2 3 1 17976.36 16624.85 290.99 o
-3 4 1 34917.49 38461.12 459.73 o
-1 4 1 99233.02 93557.99 700.05 o
1 4 1 36726.65 37457.02 2901.81 o
3 4 1 14144.21 11888.21 462.79 o
-4 5 1 7548.44 8264.31 378.65 o
-2 5 1 51422.47 53273.75 664.85 o
0 5 1 15338.16 14576.52 290.66 o
2 5 1 26612.47 24198.40 557.81 o
4 5 1 15121.01 13629.09 373.18 o
-5 6 1 14230.27 14889.25 426.11 o
-3 6 1 16262.99 16631.78 600.45 o
-1 6 1 11046.07 11415.04 561.53 o
1 6 1 13731.71 12833.83 339.15 o
3 6 1 33005.93 29550.56 583.85 o
5 6 1 23713.43 23349.69 514.14 o
-6 7 1 26971.79 25893.74 573.44 o
-4 7 1 20403.69 20351.55 565.25 o
-2 7 1 39322.28 38960.66 1157.12 o
0 7 1 6577.65 6694.24 406.82 o
2 7 1 27254.53 27378.45 871.49 o
4 7 1 8651.96 8458.20 578.70 o
6 7 1 19966.75 19086.44 530.85 o
-7 8 1 5577.03 5451.47 663.99 o
-5 8 1 9551.16 9192.03 405.94 o
-3 8 1 39880.32 38401.72 686.60 o
-1 8 1 22730.60 22106.10 738.40 o
1 8 1 14289.28 13895.88 415.62 o
3 8 1 10347.84 9883.93 1147.10 o
5 8 1 6547.93 6811.74 393.01 o
7 8 1 6431.73 5979.75 371.04 o
-8 9 1 5164.65 5249.32 316.88 o
-6 9 1 4026.05 4491.09 278.80 o
-4 9 1 5492.94 5768.11 330.87 o
-2 9 1 13981.96 14175.84 374.93 o
0 9 1 17563.68 16584.10 299.83 o
2 9 1 29756.67 30244.46 1661.12 o
4 9 1 7555.87 6728.60 402.75 o
6 9 1 11358.14 10766.05 492.75 o
8 9 1 2041.29 1868.62 226.90 o
-7 10 1 8326.35 8541.81 539.21 o
-5 10 1 3868.56 3921.19 267.70 o
-3 10 1 7173.39 7177.32 338.17 o
-1 10 1 3874.39 3765.75 229.15 o
1 10 1 9515.76 9147.83 637.66 o
3 10 1 15742.18 15304.20 668.57 o
5 10 1 18886.96 18912.19 1100.74 o
7 10 1 6302.53 6810.91 707.21 o
-4 11 1 10269.61 11230.71 542.35 o
-2 11 1 4422.99 4731.50 526.90 o
0 11 1 5736.42 5777.37 223.19 o
2 11 1 4021.05 4712.85 764.45 o
4 11 1 7155.42 6999.17 453.82 o
-1 12 1 8578.43 8311.09 373.55 o
1 12 1 5195.02 4776.33 331.24 o
1 1 2 123389.21 119307.28 1859.17 o
0 2 2 11500.12 11821.87 550.00 o
2 2 2 1740.64 2012.69 129.47 o
-1 3 2 169148.50 159818.95 2833.41 o
1 3 2 10408.37 10046.43 1129.36 o
3 3 2 55645.83 54555.47 3732.94 o
-2 4 2 2395.70 2319.34 134.56 o
0 4 2 6952.36 7433.95 500.76 o
2 4 2 5219.71 5601.85 223.83 o
4 4 2 311.75 403.49 140.40 o
-3 5 2 18208.96 19730.34 946.47 o
-1 5 2 87578.07 81770.41 1047.50 o
1 5 2 44160.57 40628.94 3161.40 o
3 5 2 109741.64 101713.54 2710.63 o
5 5 2 26065.19 24581.15 1254.43 o
-4 6 2 472.50 456.69 235.04 o
-2 6 2 517.24 605.92 95.50 o
0 6 2 144.51 -20.57 113.40 o
2 6 2 1842.67 1731.69 134.33 o
4 6 2 12572.54 11829.02 512.30 o
6 6 2 3333.50 3049.54 210.25 o
-5 7 2 40569.50 41947.66 1566.10 o
-3 7 2 59557.11 59871.77 1805.94 o
-1 7 2 36654.28 35398.18 1132.79 o
1 7 2 19302.00 18531.01 1582.42 o
3 7 2 25964.59 24551.84 520.66 o
5 7 2 18582.46 16972.10 488.73 o
7 7 2 34116.05 33815.94 1883.79 o
-6 8 2 116.43 8.40 304.05 o
-4 8 2 649.12 727.92 265.12 o
-2 8 2 541.38 514.59 215.33 o
0 8 2 5.33 402.93 126.29 o
2 8 2 4631.56 4692.92 292.73 o
4 8 2 195.35 588.73 198.97 o
6 8 2 1769.37 1762.94 193.37 o
8 8 2 44.22 -63.47 333.09 o
-7 9 2 12845.85 13765.07 506.96 o
-5 9 2 5532.04 5314.35 336.29 o
-3 9 2 27115.62 26320.50 860.90 o
-1 9 2 21234.49 20319.04 675.44 o
1 9 2 50368.83 48830.44 2564.38 o
3 9 2 27900.55 26399.08 595.59 o
5 9 2 25747.20 23768.72 602.60 o
7 9 2 9863.46 9921.44 517.17 o
-6 10 2 132.33 -306.86 526.04 o
-4 10 2 38.97 14.06 497.42 o
-2 10 2 50.91 326.73 224.53 o
0 10 2 117.69 61.97 170.55 o
2 10 2 148.62 75.07 295.95 o
4 10 2 750.26 934.12 182.74 o
6 10 2 38.65 483.98 356.38 o
-5 11 2 15981.63 16323.50 515.08 o
-3 11 2 22774.15 23197.10 1094.15 o
-1 11 2 6151.62 6067.85 329.83 o
1 11 2 14986.11 14522.81 1370.34 o
3 11 2 6342.05 5515.58 706.92 o
5 11 2 21375.59 22447.72 653.79 o
-2 12 2 588.39 695.04 207.78 o
0 12 2 277.69 391.33 192.67 o
2 12 2 77.54 -345.86 345.86 o
0 1 3 42178.33 42592.04 1922.03 o
-1 2 3 64671.92 68225.30 2461.63 o
1 2 3 38927.00 38303.83 304.42 o
-2 3 3 103809.16 100370.16 7904.07 o
0 3 3 23850.99 23560.06 1794.83 o
2 3 3 7100.99 7057.74 207.29 o
-3 4 3 8320.60 7748.17 1108.18 o
-1 4 3 34700.30 33717.73 325.71 o
1 4 3 2474.16 2345.68 265.60 o
3 4 3 72677.02 73811.12 948.48 o
-4 5 3 5713.27 5605.12 316.83 o
-2 5 3 17898.65 17642.96 642.81 o
0 5 3 58141.51 60126.00 2728.68 o
2 5 3 72023.17 71409.06 3462.20 o
4 5 3 46930.07 46351.78 1577.84 o
-5 6 3 17074.70 17560.15 638.23 o
-3 6 3 18309.58 18941.82 383.41 o
-1 6 3 33478.61 32242.04 868.05 o
1 6 3 19530.12 18900.44 1688.02 o
3 6 3 35743.54 34674.00 682.88 o
5 6 3 5943.30 6160.62 322.59 o
-6 7 3 16979.86 17546.56 503.59 o
-4 7 3 22526.29 23883.19 1064.10 o
-2 7 3 15478.88 14976.86 678.87 o
0 7 3 8657.61 8193.06 317.34 o
2 7 3 2318.39 2151.84 162.80 o
4 7 3 10075.60 9486.50 387.73 o
6 7 3 17747.65 17652.33 1477.95 o
-7 8 3 20543.47 20388.14 668.28 o
-5 8 3 6357.56 5931.40 376.07 o
-3 8 3 16598.84 17345.91 836.29 o
-1 8 3 11050.95 11006.51 340.30 o
1 8 3 27086.94 27074.72 1435.59 o
3 8 3 8897.91 8489.41 386.25 o
5 8 3 9471.30 8821.50 404.93 o
7 8 3 12137.00 12851.51 490.74 o
-8 9 3 5290.37 5364.26 1126.78 o
-6 9 3 2928.44 3032.92 235.53 o
-4 9 3 10028.97 9841.18 686.60 o
-2 9 3 14278.96 15132.20 379.32 o
0 9 3 20057.28 19274.67 677.89 o
2 9 3 15972.47 15248.18 768.46 o
4 9 3 15804.03 15158.88 497.88 o
6 9 3 5120.52 5134.56 946.47 o
8 9 3 2620.48 2300.38 306.81 o
-5 10 3 3132.39 3440.24 233.74 o
-3 10 3 13019.09 13604.51 608.18 o
-1 10 3 4316.08 3859.99 232.49 o
1 10 3 25135.95 25343.71 584.43 o
3 10 3 4473.71 4274.48 276.76 o
5 10 3 12442.82 12450.32 502.99 o
-4 11 3 14149.86 14718.66 652.54 o
-2 11 3 5115.99 5246.19 412.99 o
0 11 3 3364.48 3151.69 152.41 o
2 11 3 4099.75 3789.56 260.68 o
4 11 3 7418.99 7497.35 458.57 o
-1 12 3 3323.19 3559.73 255.87 o
1 12 3 9439.09 9706.53 1127.07 o
0 0 4 22557.50 26399.13 212.89 o
1 1 4 1650.90 1909.12 107.33 o
0 2 4 59741.36 58295.39 1322.00 o
2 2 4 68868.38 69573.05 2067.24 o
-1 3 4 42.58 -5.74 132.00 o
1 3 4 6.32 125.45 207.21 o
3 3 4 13533.11 14303.33 362.05 o
-2 4 4 92759.55 95789.09 3657.10 o
0 4 4 99235.28 94656.16 3961.45 o
2 4 4 82941.89 83497.46 4805.92 o
4 4 4 26141.37 25642.89 434.87 o
-3 5 4 130.60 127.60 200.61 o
-1 5 4 105.05 236.98 103.83 o
1 5 4 9413.52 10246.95 639.38 o
3 5 4 156.58 193.60 206.99 o
5 5 4 3575.62 3308.81 237.90 o
-4 6 4 22320.20 22771.05 471.19 o
-2 6 4 37526.87 36082.49 438.99 o
0 6 4 21216.55 22405.54 1080.50 o
2 6 4 87358.30 87779.85 3957.61 o
4 6 4 41870.35 41296.43 617.18 o
6 6 4 48769.43 48541.94 3051.21 o
-5 7 4 2892.17 3147.50 263.82 o
-3 7 4 28.72 97.95 211.07 o
-1 7 4 532.89 471.01 178.59 o
1 7 4 5226.92 5223.60 292.01 o
3 7 4 1824.07 1922.53 161.59 o
5 7 4 1319.73 1577.17 485.69 o
7 7 4 236.32 -17.32 315.72 o
-6 8 4 25900.44 24752.60 584.45 o
-4 8 4 19516.46 20858.31 474.31 o
-2 8 4 34245.23 32379.56 477.79 o
0 8 4 18012.49 17719.57 783.48 o
2 8 4 40043.81 39432.59 1438.46 o
4 8 4 8768.04 9356.85 406.69 o
6 8 4 14819.86 14198.72 1126.21 o
8 8 4 9613.72 8887.91 1680.30 o
-7 9 4 2431.86 2654.08 230.02 o
-5 9 4 49.78 337.56 215.51 o
-3 9 4 646.77 197.66 316.54 o
-1 9 4 2904.09 2960.85 208.87 o
1 9 4 2.12 538.90 251.65 o
3 9 4 1075.44 1290.03 171.04 o
5 9 4 457.87 368.91 320.28 o
7 9 4 955.21 404.82 450.20 o
-6 10 4 17187.52 18640.32 881.79 o
-4 10 4 11192.95 11318.68 861.18 o
-2 10 4 21538.90 22265.82 475.96 o
0 10 4 21619.04 20735.52 490.60 o
2 10 4 25053.96 25365.25 1613.04 o
4 10 4 14584.43 15190.98 619.92 o
6 10 4 21631.52 21646.79 626.09 o
-5 11 4 1495.64 1346.03 245.01 o
-3 11 4 50.59 -191.03 291.52 o
-1 11 4 68.05 -266.23 266.23 o
1 11 4 2576.92 2406.17 204.73 o
3 11 4 174.32 177.82 334.89 o
5 11 4 21.58 63.62 767.88 o
0 12 4 16717.97 16692.32 381.65 o
0 1 5 79255.78 82697.20 3181.60 o
-1 2 5 1186.86 1545.10 202.92 o
1 2 5 28773.05 30313.33 509.15 o
-2 3 5 25043.83 24511.26 675.15 o
0 3 5 39423.96 37099.28 1300.27 o
2 3 5 42842.59 43939.57 448.48 o
-3 4 5 65464.82 68967.47 614.38 o
-1 4 5 37664.07 37940.97 1268.17 o
1 4 5 100730.23 99051.80 6823.94 o
3 4 5 26584.48 27348.84 407.41 o
-4 5 5 16925.50 17263.33 1559.23 o
-2 5 5 35644.71 35503.50 407.21 o
0 5 5 15224.53 15899.65 539.75 o
2 5 5 45738.75 47765.37 2106.17 o
4 5 5 13711.98 14383.98 535.77 o
-5 6 5 13008.03 12121.28 1551.51 o
-3 6 5 6970.14 7998.26 304.41 o
-1 6 5 4198.93 4487.86 562.39 o
1 6 5 18595.11 18880.57 914.42 o
3 6 5 18227.79 17992.62 421.90 o
5 6 5 43014.82 41223.69 652.78 o
-6 7 5 12549.94 12841.64 555.52 o
-4 7 5 956.62 956.61 350.88 o
-2 7 5 20848.04 20342.63 430.74 o
0 7 5 9982.24 9726.50 566.44 o
2 7 5 43058.56 42946.98 1571.54 o
4 7 5 5841.02 6051.17 338.57 o
6 7 5 20785.60 20993.66 1455.91 o
-7 8 5 5476.82 5589.93 656.55 o
-5 8 5 15487.62 16057.48 949.05 o
-3 8 5 14630.10 15010.33 435.03 o
-1 8 5 28707.48 29514.43 2316.53 o
1 8 5 19361.25 19540.42 1412.13 o
3 8 5 6100.12 6389.75 359.09 o
5 8 5 4771.52 4376.79 532.91 o
7 8 5 5405.65 5375.75 342.87 o
-6 9 5 15721.16 16329.13 528.30 o
-4 9 5 13223.76 13695.45 1080.99 o
-2 9 5 18288.96 18231.76 412.13 o
0 9 5 4402.73 4181.43 182.64 o
2 9 5 12010.96 12420.40 862.33 o
4 9 5 2594.28 2581.82 205.54 o
6 9 5 16746.27 16645.78 549.64 o
-5 10 5 9629.16 10052.90 449.42 o
-3 10 5 2132.41 1996.91 163.61 o
-1 10 5 6971.75 6959.31 396.68 o
1 10 5 8670.00 8609.85 395.86 o
3 10 5 13966.14 14126.61 1311.67 o
5 10 5 7122.57 6335.24 633.94 o
-4 11 5 6138.17 6647.04 381.38 o
-2 11 5 6586.33 6898.55 367.50 o
0 11 5 12782.70 13108.23 562.47 o
2 11 5 11809.58 12480.15 491.81 o
4 11 5 5151.84 5481.62 372.69 o
1 1 6 55024.50 55265.52 379.62 o
0 2 6 37441.89 40559.02 1678.34 o
2 2 6 156.83 250.42 114.77 o
-1 3 6 53392.40 57355.99 3546.05 o
1 3 6 81667.64 82039.13 534.43 o
3 3 6 69152.27 71693.59 1060.38 o
-2 4 6 121.00 263.35 182.60 o
0 4 6 2684.68 2939.44 276.24 o
2 4 6 1778.61 2382.63 155.52 o
4 4 6 3372.35 3719.49 237.99 o
-3 5 6 43413.80 45116.09 1322.83 o
-1 5 6 43376.52 44616.96 3158.25 o
1 5 6 69473.93 69110.49 5787.03 o
3 5 6 55049.48 55932.06 1745.84 o
5 5 6 34454.95 35565.80 562.78 o
-4 6 6 47.47 178.40 251.29 o
-2 6 6 15697.45 16598.16 1041.21 o
0 6 6 21.57 6.40 153.51 o
2 6 6 32.87 110.74 204.72 o
4 6 6 421.49 589.27 171.03 o
6 6 6 76.30 203.33 369.20 o
-5 7 6 22279.22 21263.00 1583.85 o
-3 7 6 21078.20 20451.17 831.99 o
-1 7 6 25436.60 26295.57 2211.49 o
1 7 6 38657.53 37620.19 2909.25 o
3 7 6 30927.92 30683.73 1023.18 o
5 7 6 26256.54 27040.56 1128.21 o
7 7 6 23010.23 22152.76 1172.86 o
-6 8 6 90.95 -264.94 320.70 o
-4 8 6 2191.03 2291.13 181.74 o
-2 8 6 3139.95 3225.06 225.64 o
0 8 6 4324.38 4690.20 294.02 o
2 8 6 556.87 552.20 196.07 o
4 8 6 4.04 5.11 270.69 o
6 8 6 2561.61 2463.19 203.66 o
8 8 6 922.16 1031.28 272.51 o
-7 9 6 18500.91 17778.40 1011.16 o
-5 9 6 19575.56 21779.94 1797.07 o
-3 9 6 20796.80 21088.87 1166.56 o
-1 9 6 24363.21 24551.10 2471.08 o
1 9 6 23985.60 24599.52 1372.06 o
3 9 6 16645.45 16437.54 484.34 o
5 9 6 13076.92 13637.69 484.49 o
7 9 6 13382.96 13509.05 1137.08 o
-6 10 6 156.70 135.40 335.52 o
-4 10 6 4347.83 4109.21 282.58 o
-2 10 6 1080.12 1121.45 152.24 o
0 10 6 1118.91 1124.91 122.19 o
2 10 6 168.89 347.07 286.00 o
4 10 6 2468.93 3062.70 353.75 o
6 10 6 57.96 84.60 744.13 o
-3 11 6 14177.16 14387.14 592.73 o
-1 11 6 18782.44 18340.78 1170.57 o
1 11 6 16762.07 16865.36 798.51 o
3 11 6 13794.64 14829.27 568.97 o
0 1 7 6373.36 6337.54 257.24 o
-1 2 7 142653.89 153950.81 4887.48 o
1 2 7 24155.07 24886.66 734.40 o
-2 3 7 26611.79 26973.87 340.24 o
0 3 7 18832.59 18745.78 457.88 o
2 3 7 34952.93 35878.41 677.16 o
-3 4 7 5552.93 5665.12 225.25 o
-1 4 7 43709.83 47139.36 3473.36 o
1 4 7 10408.65 10399.94 328.56 o
3 4 7 44167.53 46109.03 511.75 o
-4 5 7 20741.72 21389.81 673.15 o
-2 5 7 4938.33 5041.35 273.61 o
0 5 7 33853.26 33099.21 738.95 o
2 5 7 25686.30 26188.53 418.76 o
4 5 7 27907.71 29194.94 1108.75 o
-5 6 7 13680.65 14172.06 434.71 o
-3 6 7 20880.16 20587.09 561.24 o
-1 6 7 41308.80 41372.05 2360.03 o
1 6 7 18362.04 17509.14 1681.16 o
3 6 7 23398.04 23539.06 1402.39 o
5 6 7 4137.49 3863.85 241.30 o
-6 7 7 16831.32 16810.87 790.21 o
-4 7 7 37443.29 35877.26 2069.53 o
-2 7 7 9304.10 9357.49 556.38 o
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