#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2208366.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_2208366_Fobs
loop_
_publ_author_name
'Allan, David R.'
_publ_section_title
;
 Sodium peroxodisulfate
;
_journal_coeditor_code           JH6041
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i44
_journal_page_last               i46
_journal_volume                  62
_journal_year                    2006
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             06-01-12
_audit_creation_method           CRYSTALS
_cell_angle_alpha                101.871(7)
_cell_angle_beta                 103.337(7)
_cell_angle_gamma                97.418(7)
_cell_length_a                   4.780(2)
_cell_length_b                   5.575(2)
_cell_length_c                   6.091(3)
_[local]_cod_data_source_file    jh6041Isup2.hkl
_[local]_cod_data_source_block   I
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_meas
_refln_F_squared_calc
_refln_F_squared_sigma
_refln_observed_status
1 0 0 1051.59 1096.85 25.03 o
2 0 0 84.52 48.63 5.18 o
3 0 0 1257.08 1227.51 35.80 o
4 0 0 20.36 14.83 6.74 o
5 0 0 964.87 925.67 37.31 o
-6 1 0 508.75 433.65 33.15 o
-5 1 0 404.71 423.91 23.90 o
-4 1 0 326.30 364.75 15.12 o
-3 1 0 79.94 93.89 6.73 o
-2 1 0 7.82 1.42 3.46 o
-1 1 0 307.49 300.61 9.37 o
0 1 0 130.08 0.00 4.46 x
1 1 0 7144.09 7034.50 158.95 o
2 1 0 51.43 69.08 4.96 o
3 1 0 1143.45 1194.06 31.85 o
4 1 0 -0.11 0.46 7.61 <
5 1 0 0.26 0.01 11.66 <
-6 2 0 -0.68 1.04 39.81 <
-5 2 0 1035.00 992.74 38.54 o
-4 2 0 162.65 172.74 11.67 o
-3 2 0 1421.28 1435.10 38.06 o
-2 2 0 1580.89 1470.10 40.03 o
-1 2 0 209.86 224.74 8.02 o
0 2 0 2590.05 2552.55 59.85 o
1 2 0 486.36 460.32 14.74 o
2 2 0 209.61 190.29 9.80 o
3 2 0 455.14 418.06 17.58 o
4 2 0 201.44 187.41 14.86 o
5 2 0 5.41 2.65 13.33 <
-6 3 0 42.81 15.64 23.21 <
-4 3 0 519.83 457.26 20.70 o
-3 3 0 921.90 907.46 28.10 o
-2 3 0 1817.17 1835.65 46.01 o
-1 3 0 188.80 182.69 8.67 o
0 3 0 1680.84 1594.37 41.57 o
1 3 0 923.76 914.42 26.10 o
2 3 0 675.36 696.91 22.12 o
3 3 0 1938.69 1990.86 51.57 o
4 3 0 295.80 281.26 18.74 o
5 3 0 177.70 163.21 20.88 o
-4 4 0 225.84 232.49 14.57 o
-3 4 0 127.37 118.49 11.39 o
-2 4 0 4931.55 4824.38 116.29 o
-1 4 0 873.87 923.55 26.66 o
0 4 0 3.05 1.70 5.30 <
1 4 0 103.87 110.12 9.39 o
2 4 0 163.08 174.04 10.91 o
3 4 0 473.74 479.82 19.63 o
4 4 0 781.78 846.04 28.40 o
-5 5 0 48.95 26.54 27.72 <
-4 5 0 621.54 383.69 32.98 o
-3 5 0 111.73 106.46 13.95 o
-2 5 0 259.92 303.87 15.12 o
-1 5 0 805.81 855.77 27.44 o
0 5 0 8.77 8.69 8.28 <
1 5 0 1072.95 1076.83 34.40 o
2 5 0 246.81 257.09 15.77 o
3 5 0 3.83 3.47 10.22 <
-4 6 0 -6.82 1.20 18.98 <
-3 6 0 180.08 195.19 18.08 o
-2 6 0 147.88 157.53 15.42 o
-1 6 0 258.79 257.64 17.71 o
0 6 0 18.38 25.06 12.72 <
1 6 0 45.44 31.44 12.33 o
2 6 0 274.77 226.51 18.85 o
-3 7 0 57.44 56.40 27.63 o
-2 7 0 252.80 291.75 21.30 o
-1 7 0 78.97 69.14 19.62 o
0 7 0 612.83 611.37 36.13 o
0 -7 1 245.17 241.51 24.96 o
1 -7 1 92.58 105.70 18.17 o
2 -7 1 280.30 289.99 23.90 o
-2 -6 1 -4.01 7.10 13.77 <
-1 -6 1 466.87 532.95 21.68 o
0 -6 1 676.83 735.06 27.08 o
1 -6 1 107.03 112.48 13.90 o
2 -6 1 7.83 0.91 12.24 <
3 -6 1 103.25 76.34 20.71 o
4 -6 1 1.85 0.23 23.08 <
-3 -5 1 771.14 838.77 27.75 o
-2 -5 1 254.70 213.28 15.02 o
-1 -5 1 729.51 754.93 25.91 o
0 -5 1 325.47 348.19 15.97 o
1 -5 1 786.50 587.71 26.91 o
2 -5 1 1255.42 1406.17 37.64 o
4 -5 1 274.83 25.09 23.49 o
-4 -4 1 36.81 32.94 13.28 o
-3 -4 1 266.39 274.90 16.53 o
-2 -4 1 2794.61 2839.79 68.44 o
-1 -4 1 8.73 9.84 6.05 <
0 -4 1 398.58 441.48 15.03 o
1 -4 1 226.98 238.79 10.29 o
2 -4 1 5.17 5.62 6.65 <
3 -4 1 1977.98 2220.61 52.85 o
4 -4 1 155.42 171.41 15.37 o
5 -4 1 166.14 170.97 24.19 o
-5 -3 1 3.99 0.34 16.70 <
-4 -3 1 72.85 76.55 11.99 o
-3 -3 1 1423.81 1403.37 40.25 o
-2 -3 1 72.13 70.72 7.62 o
-1 -3 1 177.75 170.49 8.85 o
0 -3 1 2.14 0.26 3.69 <
1 -3 1 1586.88 1593.69 40.21 o
2 -3 1 859.03 850.68 25.24 o
3 -3 1 1.09 3.65 8.20 <
4 -3 1 2437.48 2550.46 67.44 o
5 -3 1 76.25 79.47 15.92 o
-5 -2 1 1006.38 960.62 36.21 o
-4 -2 1 7.88 10.50 7.81 <
-3 -2 1 212.87 116.47 12.18 o
-2 -2 1 3208.93 3197.77 75.48 o
-1 -2 1 1757.65 1579.83 42.32 o
0 -2 1 1649.86 1607.33 39.56 o
1 -2 1 860.31 732.97 22.89 o
2 -2 1 244.35 232.07 10.12 o
3 -2 1 1788.67 1917.78 46.57 o
4 -2 1 190.36 214.60 14.36 o
5 -2 1 1.55 10.23 16.79 <
-6 -1 1 4.78 0.38 16.02 <
-5 -1 1 385.26 382.32 20.70 o
-4 -1 1 1341.44 1379.74 38.48 o
-3 -1 1 1233.28 1414.14 33.34 o
-2 -1 1 457.98 511.80 14.48 o
-1 -1 1 5101.78 5384.65 110.99 o
0 -1 1 4343.23 4152.66 97.18 o
1 -1 1 9911.68 10113.96 219.78 o
2 -1 1 60.91 59.21 5.51 o
3 -1 1 57.54 68.91 7.12 o
4 -1 1 1177.06 1207.57 38.25 o
5 -1 1 32.40 37.88 14.42 o
-6 0 1 48.34 57.96 18.41 o
-5 0 1 0.75 0.89 14.63 <
-4 0 1 1743.00 1731.31 46.60 o
-3 0 1 58.36 58.27 5.19 o
-2 0 1 969.39 1070.86 25.06 o
-1 0 1 749.38 701.67 18.64 o
0 0 1 56.73 0.00 2.96 x
1 0 1 3991.73 3935.22 90.76 o
2 0 1 2217.68 2289.20 53.59 o
3 0 1 398.80 423.26 15.63 o
4 0 1 885.36 902.49 32.31 o
5 0 1 151.00 138.90 17.14 o
-6 1 1 223.96 211.94 23.55 o
-5 1 1 394.63 391.39 19.51 o
-4 1 1 480.41 491.06 18.58 o
-3 1 1 111.03 119.23 7.51 o
-2 1 1 2241.72 2109.11 53.16 o
-1 1 1 7054.55 6803.96 156.93 o
0 1 1 2053.42 1931.98 47.77 o
1 1 1 24.80 53.64 3.66 o
2 1 1 5591.48 5254.87 128.13 o
3 1 1 2.02 9.47 5.37 <
4 1 1 111.65 118.26 12.37 o
5 1 1 203.59 222.33 20.46 o
-5 2 1 3.41 9.77 15.56 <
-4 2 1 325.06 332.98 16.54 o
-3 2 1 8.80 9.60 4.74 <
-2 2 1 1064.93 1074.35 28.24 o
-1 2 1 7061.85 6910.06 157.82 o
0 2 1 -5.95 0.75 2.48 <
1 2 1 444.50 448.30 14.63 o
2 2 1 1846.70 1825.49 47.50 o
3 2 1 20.02 10.48 7.71 o
4 2 1 300.88 302.28 18.26 o
5 2 1 376.42 336.78 26.62 o
-5 3 1 423.37 430.16 19.69 o
-4 3 1 1090.11 952.41 34.40 o
-3 3 1 769.91 772.33 25.37 o
-2 3 1 383.07 426.62 14.77 o
-1 3 1 4658.53 4606.22 107.96 o
0 3 1 298.32 306.56 12.47 o
1 3 1 199.14 219.50 10.34 o
2 3 1 92.78 88.72 9.50 o
3 3 1 186.85 189.74 13.87 o
4 3 1 267.61 238.55 20.31 o
-5 4 1 5.64 2.44 16.48 <
-4 4 1 80.74 77.18 14.38 o
-3 4 1 1389.83 1413.66 40.49 o
-2 4 1 0.50 0.00 6.41 <
-1 4 1 -0.61 0.77 5.63 <
0 4 1 1655.93 1692.52 45.12 o
1 4 1 219.45 221.08 13.06 o
2 4 1 2007.47 1987.80 55.04 o
3 4 1 32.64 12.99 10.87 o
4 4 1 227.63 204.09 19.65 o
-5 5 1 130.76 94.74 29.61 o
-4 5 1 411.85 379.00 23.88 o
-3 5 1 376.94 387.78 20.16 o
-2 5 1 565.40 598.33 23.21 o
0 5 1 41.33 49.04 10.51 o
1 5 1 4.03 2.34 9.89 <
2 5 1 16.08 20.16 11.85 <
3 5 1 729.50 659.24 29.64 o
-4 6 1 225.05 215.79 24.39 o
-3 6 1 1480.87 1596.57 47.43 o
-2 6 1 0.48 2.56 17.60 <
-1 6 1 14.03 3.98 13.26 <
0 6 1 505.60 504.04 25.73 o
1 6 1 110.15 117.80 17.50 o
-1 -7 2 143.40 138.27 19.59 o
0 -7 2 270.59 292.74 23.76 o
1 -7 2 0.02 0.02 1.39 o
2 -7 2 64.67 55.91 25.44 o
-2 -6 2 1432.27 1424.04 43.15 o
-1 -6 2 289.08 313.73 18.41 o
0 -6 2 1.09 7.68 11.08 <
1 -6 2 1371.06 1368.59 42.98 o
2 -6 2 50.91 66.47 15.90 o
-3 -5 2 35.57 25.21 11.64 o
-2 -5 2 299.37 267.00 15.32 o
-1 -5 2 1709.12 1828.26 46.88 o
0 -5 2 306.61 315.27 15.83 o
2 -5 2 450.95 459.12 23.02 o
3 -5 2 16.27 15.93 11.69 <
4 -5 2 1073.51 871.47 41.83 o
-4 -4 2 264.67 288.42 18.50 o
-3 -4 2 13.66 17.13 8.81 <
-2 -4 2 1007.60 1059.74 30.30 o
-1 -4 2 299.29 276.98 13.38 o
0 -4 2 598.30 645.44 20.07 o
1 -4 2 2192.86 2177.04 55.87 o
2 -4 2 187.89 190.90 12.72 o
3 -4 2 44.60 49.76 10.68 o
4 -4 2 151.55 151.87 16.57 o
5 -4 2 448.79 456.87 28.97 o
-5 -3 2 287.49 260.88 19.57 o
-4 -3 2 274.25 253.20 17.15 o
-3 -3 2 502.96 525.53 19.60 o
-2 -3 2 -0.38 0.18 4.29 <
-1 -3 2 246.83 308.14 10.34 o
0 -3 2 327.13 313.02 12.51 o
1 -3 2 2801.60 2608.07 67.56 o
2 -3 2 398.26 493.82 16.53 o
3 -3 2 215.64 229.28 13.53 o
4 -3 2 667.04 709.10 27.94 o
5 -3 2 13.45 15.85 10.72 <
-5 -2 2 1.85 4.59 10.48 <
-4 -2 2 2881.55 2925.96 72.54 o
-3 -2 2 2279.96 2350.71 57.14 o
-2 -2 2 35.84 41.92 4.82 o
-1 -2 2 1189.41 1114.18 30.45 o
0 -2 2 569.10 636.77 16.75 o
1 -2 2 965.09 965.54 25.91 o
2 -2 2 3531.36 3334.73 88.40 o
3 -2 2 496.77 425.00 20.55 o
4 -2 2 150.65 153.93 15.11 o
5 -2 2 235.08 249.98 20.49 o
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-3 -1 2 4353.00 4338.17 100.20 o
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-1 -1 2 637.01 794.46 17.21 o
0 -1 2 58.07 65.73 4.11 o
1 -1 2 1579.33 1451.66 41.38 o
2 -1 2 3541.67 3590.75 84.94 o
3 -1 2 3154.54 3137.01 81.46 o
4 -1 2 315.20 314.61 19.17 o
5 -1 2 87.35 86.64 18.02 o
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-3 0 2 388.83 393.05 18.16 o
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-1 0 2 987.70 919.11 25.04 o
0 0 2 3005.16 2816.18 86.32 o
1 0 2 950.02 854.62 25.26 o
2 0 2 135.77 152.58 8.41 o
3 0 2 1247.49 1327.02 39.98 o
5 0 2 560.75 473.37 34.17 o
-6 1 2 492.95 541.13 25.28 o
-5 1 2 80.95 81.91 11.66 o
-4 1 2 133.12 126.32 9.95 o
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-2 1 2 131.44 147.13 6.97 o
-1 1 2 6490.88 5918.71 145.89 o
0 1 2 306.57 268.45 10.66 o
1 1 2 1217.82 1180.09 31.92 o
2 1 2 382.01 371.87 14.77 o
3 1 2 392.54 408.31 19.09 o
4 1 2 22.42 19.80 12.81 <
5 1 2 38.14 12.92 26.87 <
-6 2 2 698.09 638.01 31.55 o
-5 2 2 2168.68 2019.21 58.82 o
-4 2 2 3.14 0.41 6.44 <
-3 2 2 274.87 263.71 12.05 o
-2 2 2 623.02 648.79 19.09 o
-1 2 2 437.67 403.48 14.13 o
0 2 2 8072.88 7232.68 181.51 o
1 2 2 126.85 133.61 8.34 o
2 2 2 10.07 20.51 7.41 <
3 2 2 84.78 37.05 12.68 o
4 2 2 36.22 28.51 15.12 o
-6 3 2 96.88 105.09 17.39 o
-5 3 2 319.12 333.12 18.29 o
-3 3 2 186.35 176.60 12.35 o
-2 3 2 1348.02 1317.76 37.66 o
-1 3 2 255.64 232.60 12.44 o
0 3 2 632.52 656.28 21.50 o
1 3 2 5358.43 5396.79 125.44 o
2 3 2 161.15 147.47 12.82 o
3 3 2 180.52 174.73 14.48 o
-5 4 2 475.18 523.73 23.98 o
-4 4 2 108.38 113.31 14.45 o
-3 4 2 8.42 1.94 9.54 <
-2 4 2 557.82 589.36 22.03 o
-1 4 2 7.05 2.38 7.26 <
0 4 2 220.13 201.98 13.53 o
1 4 2 60.85 48.49 10.42 o
2 4 2 94.93 89.55 13.73 o
3 4 2 184.22 175.66 16.38 o
-5 5 2 14.84 15.03 19.82 <
-4 5 2 960.74 526.40 36.46 o
-3 5 2 734.36 693.21 30.02 o
-2 5 2 725.89 730.34 28.66 o
-1 5 2 345.94 348.46 19.18 o
0 5 2 4.85 9.07 10.59 <
1 5 2 601.68 604.92 26.90 o
-3 6 2 174.28 168.80 19.77 o
-2 6 2 759.11 789.17 32.55 o
-1 6 2 236.13 219.79 20.74 o
0 6 2 48.27 41.66 15.94 o
1 6 2 225.67 192.11 28.09 o
-1 -7 3 450.34 463.26 25.48 o
1 -7 3 7.80 9.26 10.16 <
-2 -6 3 50.42 48.60 13.47 o
-1 -6 3 745.22 742.37 26.90 o
0 -6 3 522.85 521.32 23.92 o
2 -6 3 29.59 20.48 16.32 <
3 -6 3 103.32 95.94 18.22 o
-4 -5 3 15.63 0.44 19.25 <
-3 -5 3 421.14 411.19 22.79 o
-2 -5 3 216.51 191.68 15.07 o
-1 -5 3 443.77 447.38 19.04 o
0 -5 3 2747.70 2644.86 70.26 o
1 -5 3 780.65 827.66 29.10 o
2 -5 3 363.87 342.18 20.88 o
3 -5 3 25.37 17.10 16.38 <
4 -5 3 64.61 7.16 22.63 o
-4 -4 3 -0.35 2.46 11.36 <
-3 -4 3 43.50 40.36 10.03 o
-2 -4 3 0.32 0.07 6.89 <
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0 -4 3 1046.53 988.90 30.94 o
1 -4 3 483.17 513.43 20.67 o
2 -4 3 43.05 18.13 9.58 o
3 -4 3 385.75 397.24 21.08 o
4 -4 3 146.07 128.52 18.55 o
-5 -3 3 327.45 323.17 20.53 o
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0 -3 3 2158.61 2120.01 53.82 o
1 -3 3 627.72 583.46 22.61 o
2 -3 3 65.66 46.25 8.68 o
3 -3 3 19.54 13.92 8.69 o
4 -3 3 39.95 42.66 12.87 o
5 -3 3 18.24 17.33 27.09 <
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-3 -2 3 181.15 131.37 11.24 o
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-1 -2 3 42.13 37.71 5.42 o
1 -2 3 65.22 78.20 7.00 o
2 -2 3 197.29 209.06 12.26 o
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-5 -1 3 326.37 333.95 18.39 o
-4 -1 3 868.63 993.08 28.19 o
-3 -1 3 635.28 712.82 20.86 o
-2 -1 3 3136.46 2762.74 72.93 o
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0 -1 3 44.67 31.48 4.64 o
1 -1 3 704.96 791.14 22.99 o
2 -1 3 19.77 16.07 6.18 o
3 -1 3 4.86 3.05 7.80 <
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0 1 3 73.85 75.53 6.33 o
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2 1 3 0.80 0.67 11.84 <
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2 2 3 1411.03 1449.07 43.53 o
3 2 3 30.24 8.36 13.55 o
4 2 3 59.65 50.38 21.93 o
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-1 3 3 1453.71 1421.08 41.35 o
0 3 3 139.17 138.85 11.29 o
1 3 3 93.42 91.27 11.42 o
2 3 3 658.45 607.58 26.79 o
-5 4 3 13.42 21.02 16.52 <
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-3 4 3 264.25 250.83 18.22 o
-2 4 3 416.02 385.44 20.44 o
-1 4 3 338.71 329.00 17.91 o
0 4 3 1121.09 1096.39 36.41 o
1 4 3 235.60 253.28 17.66 o
2 4 3 105.83 100.53 18.37 o
-4 5 3 96.88 90.28 19.32 o
-3 5 3 125.15 109.01 17.72 o
-2 5 3 17.60 22.56 13.92 <
-1 5 3 930.32 942.57 34.62 o
0 5 3 359.72 399.42 21.96 o
1 5 3 69.77 64.91 17.07 o
2 5 3 68.51 56.74 18.06 o
1 -7 4 348.88 338.24 31.06 o
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0 -6 4 1.73 10.34 18.51 <
1 -6 4 1127.78 1111.22 43.41 o
2 -6 4 247.88 262.07 22.64 o
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-1 -5 4 128.95 134.56 12.03 o
0 -5 4 256.42 246.23 18.74 o
1 -5 4 243.02 49.32 21.76 o
2 -5 4 150.08 146.75 18.89 o
3 -5 4 93.61 84.66 19.28 o
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