#------------------------------------------------------------------------------
#$Date: 2012-09-11 12:26:43 +0300 (Tue, 11 Sep 2012) $
#$Revision: 66590 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/84/2018490.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_2018490_Fobs
loop_
_publ_author_name
'Haghjoo, Farhad'
'Barnes, Nicholas A.'
'Pritchard, Robin'
'Godfrey, Stephen M.'
'Ratcliffe, Shane'
_publ_section_title
;
 Hydrogen bis[tris(4-fluorophenyl)phosphane oxide] triiodide
;
_journal_coeditor_code           EG3082
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              o216
_journal_page_last               o219
_journal_volume                  68
_journal_year                    2012
_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                 108.818
_cell_angle_gamma                90.000
_cell_length_a                   13.2153
_cell_length_b                   15.9752
_cell_length_c                   18.5695
_exptl_crystal_F_000             1999.86
_reflns_d_resolution_high        0.8255
_[local]_cod_data_source_file    eg3082Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' rob'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            594.39
_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
-15 -3 1 2373.04 1785.54 373.72 o
-15 -3 2 913.57 756.48 324.30 o
-15 -3 3 108.71 277.57 292.28 o
-15 -3 4 199.36 505.95 284.92 o
-15 -3 5 126.47 213.67 191.61 o
-15 -3 6 4015.33 4494.50 424.82 o
-15 -3 7 2137.65 2443.73 256.58 o
-15 -3 8 1758.05 2112.22 317.56 o
-15 -1 0 7954.36 8868.72 800.68 o
-15 -1 1 213.36 -142.42 216.13 o
-15 -1 2 1553.97 984.86 248.23 o
-15 -1 3 356.38 437.15 218.65 o
-15 -1 4 255.08 -139.97 186.63 o
-15 -1 5 445.11 596.82 208.85 o
-15 -1 6 8036.43 8517.53 636.88 o
-15 -1 7 1004.13 1444.16 317.18 o
-15 -1 8 4598.05 5032.40 459.60 o
-15 -1 9 301.41 461.75 213.75 o
-15 -1 10 67.71 44.21 132.62 o
-15 -1 11 476.59 461.75 149.86 o
-15 -1 12 5526.20 6164.67 383.22 o
-15 -1 13 983.07 1515.41 201.95 o
-14 -4 -2 172.04 63.82 233.29 o
-14 -4 -1 1322.45 886.64 321.85 o
-14 -4 0 4855.45 4447.84 454.09 o
-14 -4 1 8769.56 10433.24 785.51 o
-14 -4 2 573.07 672.97 226.08 o
-14 -4 3 437.70 314.34 194.06 o
-14 -4 4 383.38 736.79 275.19 o
-14 -4 5 780.38 299.63 257.88 o
-14 -4 6 4296.31 4057.35 373.11 o
-14 -2 -3 51.38 164.56 235.81 o
-14 -2 -2 64.61 -54.01 311.89 o
-14 -2 -1 354.59 -117.91 223.48 o
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-14 -2 1 1757.64 1844.46 302.62 o
-14 -2 2 2574.29 3028.28 323.15 o
-14 -2 3 201.09 115.46 179.27 o
-14 -2 4 48.37 -167.02 164.56 o
-14 -2 5 627.51 741.69 191.69 o
-14 -2 6 9332.32 11356.73 747.97 o
-14 -2 7 1364.71 1402.40 196.97 o
-14 -2 8 7068.00 8284.17 600.11 o
-14 -2 9 4.70 147.40 186.63 o
-14 -2 10 83.12 44.21 186.63 o
-14 -2 11 630.81 540.35 172.00 o
-13 -5 -3 38.02 4.90 235.81 o
-13 -5 -2 286.43 181.73 235.81 o
-13 -5 -1 4549.74 5481.89 506.49 o
-13 -5 0 9438.21 9460.63 541.27 o
-13 -3 -6 5954.84 5948.54 504.57 o
-13 -3 -5 1668.19 658.26 378.32 o
-13 -3 -4 63.01 186.63 773.64 o
-13 -3 -3 160.19 -17.16 221.03 o
-13 -3 -2 23.37 -179.27 292.28 o
-13 -3 -1 210.69 267.69 294.73 o
-13 -3 0 13039.78 11540.91 930.62 o
-13 -3 1 2001.57 1419.56 307.29 o
-13 -3 2 2871.96 2566.54 322.77 o
-13 -3 3 559.97 1399.95 309.75 o
-13 -3 4 611.09 886.64 240.87 o
-13 -3 5 17.49 -19.61 157.21 o
-13 -3 6 16096.31 18376.01 944.03 o
-13 -3 7 8235.09 9138.94 572.22 o
-13 -3 8 5669.71 7250.20 494.08 o
-13 -3 9 566.86 351.19 130.24 o
-13 -1 -6 9635.06 9138.94 883.96 o
-13 -1 -5 1025.23 1240.29 314.65 o
-13 -1 -4 628.36 557.51 255.50 o
-13 -1 -3 63.13 -157.21 297.18 o
-13 -1 -2 4.38 -27.04 201.42 o
-13 -1 -1 3244.49 2571.44 482.05 o
-13 -1 0 23927.70 23958.57 1311.46 o
-13 -1 1 2310.66 2345.51 298.10 o
-13 -1 2 3905.49 3936.99 316.79 o
-13 -1 3 346.24 343.84 167.02 o
-13 -1 4 112.97 125.26 147.40 o
-13 -1 5 119.73 230.84 152.31 o
-13 -1 6 14360.23 15765.27 866.72 o
-13 -1 7 2316.96 1815.04 246.31 o
-13 -1 8 6589.68 6921.07 423.21 o
-13 -1 9 913.56 1237.84 233.67 o
-13 -1 10 1757.20 2028.71 214.67 o
-13 -1 11 64.84 54.01 90.86 o
-13 -1 12 8443.74 9467.99 514.69 o
-13 -1 13 1404.32 1073.27 137.98 o
-13 -1 18 3551.88 3391.81 418.92 o
-12 -4 -7 1843.32 1149.43 405.44 o
-12 -4 -6 6315.89 5911.69 506.95 o
-12 -4 -5 3527.63 4543.69 461.52 o
-12 -4 -4 37.00 -98.22 299.63 o
-12 -4 -3 456.66 311.89 216.13 o
-12 -4 -2 477.83 147.40 201.42 o
-12 -4 -1 4908.94 5882.19 409.50 o
-12 -4 0 6802.76 5810.94 389.96 o
-12 -4 1 9034.96 10023.05 787.43 o
-12 -4 2 298.74 304.54 169.47 o
-12 -4 3 355.87 -169.47 203.87 o
-12 -4 4 1853.78 2345.51 295.65 o
-12 -4 5 4303.30 4398.74 327.14 o
-12 -4 6 11301.40 11275.67 675.04 o
-12 -2 -8 3.59 -297.18 351.19 o
-12 -2 -7 952.62 496.15 265.31 o
-12 -2 -6 11417.19 12267.89 836.77 o
-12 -2 -5 444.91 297.18 230.91 o
-12 -2 -4 920.80 645.92 233.44 o
-12 -2 -3 155.43 353.65 284.92 o
-12 -2 -2 744.65 761.38 216.28 o
-12 -2 -1 93.03 -7.35 142.42 o
-12 -2 0 33589.51 27345.48 911.46 o
-12 -2 1 2117.18 1277.14 165.02 o
-12 -2 2 4367.48 4300.52 431.94 o
-12 -2 3 541.47 584.56 226.01 o
-12 -2 4 3125.21 3350.06 308.83 o
-12 -2 5 1638.40 2220.25 219.73 o
-12 -2 6 11961.29 13888.87 723.23 o
-12 -2 7 2661.87 2556.73 244.47 o
-12 -2 8 5405.56 6007.46 487.57 o
-12 -2 9 542.01 353.65 144.95 o
-12 -2 10 4704.77 5305.07 347.90 o
-12 -2 11 104.11 233.29 117.91 o
-11 -5 -5 7249.26 7436.90 718.55 o
-11 -5 -4 66.04 -81.06 203.87 o
-11 -5 -3 574.90 731.88 223.63 o
-11 -5 -2 301.41 336.48 198.96 o
-11 -5 -1 3391.93 4290.71 344.07 o
-11 -5 0 13504.17 11916.69 916.52 o
-11 -5 1 10675.17 11258.44 757.47 o
-11 -3 -10 174.92 -130.17 255.43 o
-11 -3 -9 386.93 -9.81 250.52 o
-11 -3 -8 31.84 39.30 235.81 o
-11 -3 -7 1201.24 925.94 606.70 o
-11 -3 -6 10194.99 12027.17 899.59 o
-11 -3 -5 4428.99 4506.84 476.15 o
-11 -3 -4 774.47 390.50 147.40 o
-11 -3 -3 282.12 -2.45 132.62 o
-11 -3 -2 312.86 186.63 120.36 o
-11 -3 -1 3477.48 3323.01 274.66 o
-11 -3 0 25153.76 22178.01 696.87 o
-11 -3 1 10350.27 11607.25 792.03 o
-11 -3 2 4019.06 4872.74 510.70 o
-11 -3 3 279.86 120.36 179.27 o
-11 -3 4 585.86 925.94 177.05 o
-11 -3 5 5446.59 5749.58 431.18 o
-11 -3 6 19869.19 23430.56 1385.47 o
-11 -3 7 15536.95 16897.54 830.33 o
-11 -3 8 4603.59 4826.08 293.81 o
-11 -1 -10 175.59 181.73 257.88 o
-11 -1 -9 65.25 36.85 240.72 o
-11 -1 -8 325.81 39.30 331.58 o
-11 -1 -7 764.67 704.84 255.50 o
-11 -1 -6 18940.17 21325.77 1219.76 o
-11 -1 -5 120.41 194.06 203.87 o
-11 -1 -4 358.52 154.76 257.88 o
-11 -1 -3 276.37 -34.40 83.51 o
-11 -1 -2 191.92 179.27 100.75 o
-11 -1 -1 106.03 51.56 95.77 o
-11 -1 0 31609.52 29889.95 873.08 o
-11 -1 1 1210.14 837.53 118.21 o
-11 -1 2 4013.55 2885.86 266.84 o
-11 -1 3 174.16 144.88 113.00 o
-11 -1 4 800.50 1188.73 201.72 o
-11 -1 5 2305.38 3003.69 281.55 o
-11 -1 6 31111.80 33168.76 1835.42 o
-11 -1 7 3601.17 4153.19 314.65 o
-11 -1 8 11251.99 12849.99 629.68 o
-11 -1 10 2814.60 1439.25 241.10 o
-11 -1 11 307.10 235.81 81.06 o
-11 -1 12 16137.51 15956.88 655.81 o
-11 -1 13 1877.39 469.10 172.00 o
-11 -1 14 10107.84 7726.65 567.70 o
-11 -1 18 10753.13 12373.54 759.23 o
-11 -1 19 2012.22 1318.89 383.37 o
-11 -1 20 11855.82 12059.12 768.43 o
-10 -4 -10 683.98 672.97 282.55 o
-10 -4 -9 162.26 -184.18 324.23 o
-10 -4 -8 1099.05 1574.32 282.86 o
-10 -4 -7 10389.15 11678.43 767.82 o
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-10 -4 -5 7397.93 8856.46 822.67 o
-10 -4 -4 1858.60 1434.35 165.18 o
-10 -4 -3 469.30 41.75 137.52 o
-10 -4 -2 1788.46 1259.98 184.64 o
-10 -4 -1 6713.95 7137.27 370.42 o
-10 -4 0 36328.96 34023.45 1730.92 o
-10 -4 1 14800.02 16578.21 1124.83 o
-10 -4 2 3552.12 3136.38 252.44 o
-10 -4 3 1072.77 1080.63 260.56 o
-10 -4 4 2616.81 3777.40 297.11 o
-10 -4 5 1727.15 1598.84 204.48 o
-10 -4 10 212.96 95.77 380.69 o
-10 -4 15 358.15 -63.82 147.40 o
-10 -2 -11 862.02 78.60 363.53 o
-10 -2 -10 1748.28 1562.06 312.27 o
-10 -2 -9 147.20 194.06 321.77 o
-10 -2 -8 2065.71 1667.64 290.29 o
-10 -2 -7 760.62 184.18 213.67 o
-10 -2 -6 21729.04 24688.08 1151.65 o
-10 -2 -5 3361.42 1994.31 207.24 o
-10 -2 -4 2829.43 1962.37 155.98 o
-10 -2 -3 194.93 0.00 93.31 o
-10 -2 -2 1181.27 697.48 96.07 o
-10 -2 -1 2698.18 2546.92 168.93 o
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-10 -2 6 37494.69 39082.90 1373.21 o
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-10 -2 8 7089.31 6518.31 366.90 o
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-10 -2 15 48.83 14.71 85.96 o
-10 -2 20 12148.05 14117.25 1038.72 o
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-9 -5 -4 967.76 432.25 167.09 o
-9 -5 -3 974.61 776.09 150.01 o
-9 -5 -2 664.35 589.46 137.67 o
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-9 -5 6 17930.07 17830.84 1126.75 o
-9 -5 7 31564.38 27652.47 1683.11 o
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-9 -5 9 547.36 275.04 186.71 o
-9 -5 10 810.02 46.66 125.26 o
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-9 -5 12 10839.08 8286.69 736.56 o
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-9 -3 -12 7775.24 5860.13 621.71 o
-9 -3 -11 1966.17 1304.18 287.68 o
-9 -3 -10 254.97 -453.17 302.16 o
-9 -3 -9 182.29 14.71 201.42 o
-9 -3 -8 1642.80 1370.45 280.33 o
-9 -3 -7 2276.71 1613.62 206.93 o
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-9 -3 -4 24.31 -117.91 78.60 o
-9 -3 -3 1713.77 1080.63 118.37 o
-9 -3 -2 72.69 -88.41 76.15 o
-9 -3 -1 6178.70 5457.30 275.65 o
-9 -3 0 53786.68 50466.60 1541.38 o
-9 -3 1 20102.32 20731.40 673.73 o
-9 -3 2 5746.32 5656.26 285.61 o
-9 -3 3 632.53 282.47 115.46 o
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-9 -3 5 13296.66 13950.31 539.05 o
-9 -3 6 40572.22 42671.15 1522.38 o
-9 -3 7 17983.68 18700.24 874.92 o
-9 -3 8 11208.18 8618.20 661.40 o
-9 -3 9 2367.16 1515.41 275.50 o
-9 -3 10 7423.45 7488.46 640.48 o
-9 -3 11 55.89 -39.30 130.17 o
-9 -3 12 11076.05 9915.03 719.09 o
-9 -3 13 23928.79 22769.92 1880.39 o
-9 -3 15 75.69 7.35 113.00 o
-9 -3 16 2200.84 1070.82 243.40 o
-9 -3 20 6782.41 5850.25 611.91 o
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-9 -1 -13 812.41 68.80 272.59 o
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-9 -1 -11 111.63 -81.06 314.34 o
-9 -1 -10 56.06 -159.66 211.22 o
-9 -1 -9 581.63 434.70 221.11 o
-9 -1 -8 22.22 -239.49 159.66 o
-9 -1 -7 2997.89 2470.77 207.77 o
-9 -1 -6 26363.57 25594.34 939.35 o
-9 -1 -5 4329.29 4691.01 291.13 o
-9 -1 -4 447.76 228.38 85.96 o
-9 -1 -3 2869.70 2885.86 171.92 o
-9 -1 -2 128.12 0.00 58.92 o
-9 -1 -1 1010.18 808.04 98.60 o
-9 -1 0 71532.94 66234.32 1608.95 o
-9 -1 1 294.28 162.11 88.41 o
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-9 -1 3 4694.83 4929.28 303.69 o
-9 -1 4 1775.25 1498.17 121.28 o
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-9 -1 6 45636.30 43938.41 1394.82 o
-9 -1 7 6418.06 5865.03 266.84 o
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-8 -6 -12 1004.64 677.87 216.28 o
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-8 -6 7 37652.83 38107.85 2497.58 o
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-8 -4 -14 584.89 854.69 216.28 o
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-8 -4 3 737.96 628.76 113.16 o
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-8 -4 8 9898.82 9593.25 1273.38 o
-8 -4 9 275.51 61.37 154.76 o
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-8 -4 13 46577.05 47524.28 3466.28 o
-8 -4 14 10131.78 8453.71 839.30 o
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-8 -4 21 339.16 282.47 311.89 o
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-8 -2 -5 3929.84 3116.69 165.10 o
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