#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/07/2100712.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_2100712_Fobs
loop_
_publ_author_name
'Wood, Peter A.'
'Forgan, Ross S.'
'Henderson, David'
'Parsons, Simon'
'Pidcock, Elna'
'Tasker, Peter A.'
'Warren, John E.'
_publ_section_title
;
 Effect of pressure on the crystal structure of salicylaldoxime-I, and
 the structure of salicylaldoxime-II at 5.93GPa
;
_journal_coeditor_code           SO5004
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1099
_journal_page_last               1111
_journal_volume                  62
_journal_year                    2006
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             05-05-24
_audit_creation_method           CRYSTALS
_cell_angle_alpha                90
_cell_angle_beta                 109.859(14)
_cell_angle_gamma                90
_cell_length_a                   9.513(2)
_cell_length_b                   4.9319(4)
_cell_length_c                   11.630(2)
_[local]_cod_data_source_file    so50045_28GPasup7.hkl
_[local]_cod_data_source_block   5_28GPa
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 1 0 10855.07 10789.04 169.32 o
0 2 0 157.85 92.05 37.72 o
1 2 0 11589.29 11917.55 172.42 o
2 2 0 64879.23 62901.79 770.16 o
1 3 0 83.56 128.60 32.41 o
2 3 0 2991.69 3154.94 143.78 o
3 3 0 31580.38 31104.50 725.72 o
4 3 0 1126.07 1108.61 163.44 o
0 4 0 52.03 6.27 55.64 o
1 4 0 5068.40 5811.20 233.27 o
2 4 0 224.05 224.95 68.22 o
3 4 0 69.07 4.39 57.85 o
4 4 0 75.69 104.01 84.89 o
1 5 0 3072.95 2839.44 160.04 o
2 5 0 3203.04 3184.73 221.78 o
3 5 0 827.11 803.49 134.14 o
4 5 0 491.76 558.58 109.29 o
0 6 0 1577.65 1444.81 161.70 o
1 6 0 105.97 197.33 86.10 o
2 6 0 823.96 763.44 125.35 o
1 0 1 23627.03 24102.24 397.06 o
-1 1 1 1672.44 2033.79 64.25 o
0 1 1 9308.00 9255.95 170.93 o
1 1 1 415.73 497.20 35.74 o
2 1 1 46289.23 47065.96 897.19 o
-2 2 1 2026.15 1347.86 110.18 o
-1 2 1 749.56 703.06 39.36 o
0 2 1 7708.74 7321.95 154.43 o
1 2 1 26.03 20.65 28.66 o
2 2 1 6382.63 6184.23 374.61 o
-3 3 1 7878.03 8688.32 270.48 o
-2 3 1 7985.70 8622.29 184.56 o
-1 3 1 1834.73 1933.37 72.16 o
0 3 1 481.86 422.49 44.50 o
1 3 1 1955.23 2539.19 77.17 o
2 3 1 17219.11 16000.62 304.05 o
3 3 1 46.91 50.75 41.11 o
4 3 1 393.40 318.09 103.29 o
-4 4 1 4200.04 3714.12 422.28 o
-3 4 1 3407.28 3433.53 178.17 o
-2 4 1 634.30 646.30 91.67 o
-1 4 1 366.71 446.74 91.16 o
0 4 1 102.19 149.68 69.85 o
1 4 1 119.09 43.85 93.65 o
2 4 1 512.77 554.04 84.32 o
3 4 1 2877.19 2658.65 137.07 o
4 4 1 3510.50 4074.18 224.30 o
-4 5 1 161.61 140.39 135.38 o
-3 5 1 58.20 149.52 63.09 o
-2 5 1 9370.47 10253.77 279.24 o
-1 5 1 745.68 884.44 124.29 o
0 5 1 35117.54 34083.78 706.66 o
1 5 1 684.57 732.19 95.55 o
2 5 1 427.89 567.59 114.90 o
3 5 1 518.68 709.29 159.61 o
4 5 1 787.94 660.27 116.38 o
-2 6 1 4086.41 3844.08 222.47 o
-1 6 1 209.56 210.34 91.43 o
0 6 1 7860.82 8246.66 393.15 o
1 6 1 277.44 297.12 114.68 o
2 6 1 1176.72 924.39 137.48 o
0 0 2 34816.11 35788.02 416.43 o
2 0 2 1330.62 1676.50 84.49 o
-1 1 2 10177.16 10463.28 284.62 o
0 1 2 43257.28 46554.16 387.12 o
1 1 2 21906.95 23664.09 272.42 o
2 1 2 2133.49 2204.18 72.35 o
-2 2 2 4213.04 4366.77 161.43 o
-1 2 2 1775.37 2084.25 69.26 o
0 2 2 1123.70 1452.54 71.06 o
1 2 2 56317.02 52731.80 1029.19 o
2 2 2 1592.47 1512.02 110.09 o
3 2 2 1077.56 1274.42 69.36 o
4 2 2 127.67 48.36 103.44 o
-3 3 2 1289.67 1136.08 115.60 o
-2 3 2 449.19 323.85 61.08 o
-1 3 2 1094.68 1187.22 59.20 o
0 3 2 794.18 717.01 55.85 o
1 3 2 17623.01 16671.56 426.34 o
2 3 2 64.81 47.88 71.97 o
3 3 2 7495.16 6565.38 215.10 o
4 3 2 13959.94 14402.53 423.12 o
-3 4 2 279.54 357.89 101.77 o
-2 4 2 17575.46 18200.48 671.65 o
-1 4 2 5891.75 7152.44 207.24 o
0 4 2 197.89 51.71 71.31 o
1 4 2 60.47 3.16 72.10 o
2 4 2 2157.51 2476.88 117.89 o
3 4 2 4073.27 4032.60 166.96 o
4 4 2 147.22 44.45 84.60 o
-4 5 2 871.31 668.86 230.09 o
-3 5 2 277.57 302.37 113.50 o
-2 5 2 7215.35 7467.18 381.39 o
-1 5 2 2525.45 2887.51 302.88 o
0 5 2 89.49 76.79 101.44 o
1 5 2 125.10 43.91 140.21 o
2 5 2 2658.28 2260.48 137.91 o
3 5 2 6836.37 8411.22 279.46 o
4 5 2 641.94 569.75 147.39 o
-2 6 2 1660.08 1317.14 168.22 o
-1 6 2 80.02 3.38 94.77 o
0 6 2 4757.31 4647.67 286.98 o
1 6 2 139.62 167.86 94.37 o
1 0 3 80484.40 77832.95 772.24 o
-1 1 3 90942.02 95108.84 1226.83 o
0 1 3 97594.96 100431.16 813.23 o
1 1 3 15062.40 15905.85 256.64 o
2 1 3 5934.03 6486.57 123.63 o
-1 2 3 4473.07 4854.58 208.15 o
0 2 3 45429.74 45659.48 797.04 o
1 2 3 52830.71 47331.50 1094.06 o
2 2 3 1210.54 1237.52 63.10 o
3 2 3 47.16 15.63 33.67 o
4 2 3 1353.15 1299.40 182.40 o
-3 3 3 6771.34 6732.67 486.37 o
-2 3 3 194.02 111.18 104.72 o
-1 3 3 4723.22 4605.77 131.36 o
0 3 3 2636.99 2377.82 89.16 o
1 3 3 25204.34 22378.46 406.96 o
2 3 3 137.16 262.28 59.93 o
3 3 3 8277.78 8239.43 213.18 o
4 3 3 40818.38 41691.87 1009.75 o
-3 4 3 292.72 330.62 105.39 o
-2 4 3 27990.64 28456.44 725.67 o
-1 4 3 2453.59 2744.73 131.01 o
0 4 3 74.84 36.60 88.16 o
1 4 3 919.63 661.68 70.32 o
2 4 3 1795.11 1868.71 126.24 o
3 4 3 100.73 80.16 113.75 o
4 4 3 45.58 89.38 55.75 o
5 4 3 1388.85 1430.44 232.90 o
-3 5 3 1129.15 970.19 143.40 o
-2 5 3 136.40 112.26 101.02 o
-1 5 3 617.80 576.53 119.07 o
0 5 3 1030.75 1075.87 129.87 o
1 5 3 5264.33 5285.77 273.61 o
2 5 3 1570.54 1757.09 154.70 o
3 5 3 71.67 26.65 68.00 o
4 5 3 1787.92 2396.91 157.86 o
5 5 3 850.86 687.52 251.77 o
-2 6 3 4741.36 4710.98 460.02 o
-1 6 3 1489.31 1479.74 128.32 o
0 6 3 2026.99 2032.18 239.96 o
0 0 4 42605.71 44021.41 673.39 o
2 0 4 53899.68 47945.86 960.67 o
4 0 4 1676.45 1639.80 218.31 o
-1 1 4 21184.59 21249.85 576.24 o
0 1 4 316.08 240.21 33.40 o
1 1 4 20263.49 19184.43 323.85 o
2 1 4 32184.53 33390.35 836.62 o
3 1 4 6947.31 6683.31 193.28 o
4 1 4 817.60 734.06 93.34 o
-1 2 4 34.43 12.37 43.71 o
0 2 4 2276.67 1902.32 124.71 o
1 2 4 10622.67 9533.52 256.58 o
2 2 4 33.97 0.13 37.74 o
3 2 4 2559.00 2772.79 144.05 o
4 2 4 42199.01 43167.96 883.72 o
-2 3 4 1912.97 1774.54 175.39 o
-1 3 4 2454.37 2153.18 97.39 o
0 3 4 6946.79 7410.74 189.88 o
1 3 4 1899.27 1690.22 101.66 o
2 3 4 4668.40 4722.13 276.23 o
3 3 4 9427.62 10059.08 239.89 o
4 3 4 7081.94 7233.73 298.40 o
5 3 4 1618.45 1615.55 222.24 o
-3 4 4 976.94 686.65 216.62 o
-2 4 4 14646.29 14101.39 527.18 o
-1 4 4 207.32 351.78 54.53 o
0 4 4 3775.62 4077.78 126.68 o
1 4 4 11708.84 10683.03 311.42 o
2 4 4 62.14 54.82 75.06 o
3 4 4 60.59 32.95 72.09 o
4 4 4 768.95 791.19 118.61 o
5 4 4 61.98 82.95 67.79 o
-3 5 4 320.31 222.87 189.30 o
-2 5 4 891.59 632.09 176.93 o
-1 5 4 161.68 72.38 88.89 o
0 5 4 235.84 510.21 156.62 o
1 5 4 5271.83 6074.00 248.21 o
2 5 4 116.42 9.93 81.24 o
3 5 4 122.56 140.88 99.94 o
4 5 4 1087.77 1182.67 190.10 o
1 0 5 8548.21 8791.42 651.67 o
3 0 5 11339.19 10731.62 390.56 o
0 1 5 4412.45 4201.26 482.55 o
2 1 5 1446.43 1139.18 54.34 o
3 1 5 2760.94 2571.12 124.14 o
4 1 5 4289.67 4169.29 211.89 o
-2 2 5 33108.02 28123.68 2276.91 o
-1 2 5 3776.71 3587.20 150.23 o
0 2 5 21.22 5.83 22.87 o
1 2 5 772.23 1026.18 73.25 o
2 2 5 20344.91 21131.20 448.52 o
3 2 5 26.67 100.03 26.47 o
4 2 5 26192.40 26200.62 719.90 o
-2 3 5 1878.40 1777.96 142.45 o
-1 3 5 1791.90 1408.44 88.22 o
0 3 5 1994.91 1898.37 132.92 o
1 3 5 233.88 530.19 86.74 o
2 3 5 1783.96 1977.79 106.31 o
3 3 5 3599.10 3614.77 154.06 o
4 3 5 21204.95 20818.97 446.01 o
-3 4 5 4456.51 4757.21 317.28 o
-2 4 5 272.26 291.05 169.45 o
-1 4 5 561.52 524.16 78.79 o
0 4 5 643.60 807.81 102.90 o
1 4 5 762.39 682.96 97.53 o
2 4 5 723.32 855.28 132.52 o
3 4 5 178.41 225.58 76.83 o
4 4 5 50.51 50.51 54.88 o
5 4 5 577.19 450.15 238.63 o
-3 5 5 314.08 275.38 197.66 o
-2 5 5 401.85 356.12 187.43 o
-1 5 5 594.01 245.19 410.66 o
0 5 5 581.01 549.91 166.73 o
1 5 5 393.72 394.10 143.87 o
2 5 5 888.01 920.59 100.99 o
3 5 5 353.33 388.07 82.65 o
0 0 6 3575.83 3481.47 429.74 o
2 0 6 2267.35 1709.91 238.60 o
4 0 6 907.13 678.39 111.37 o
-1 1 6 28045.50 25962.12 1464.72 o
0 1 6 4502.31 4245.48 295.40 o
1 1 6 98.13 81.61 44.08 o
2 1 6 1163.66 1610.52 121.30 o
3 1 6 3761.20 3894.26 324.51 o
4 1 6 54.06 29.13 49.83 o
5 1 6 4839.20 4655.03 411.92 o
-2 2 6 3676.43 5415.30 817.47 o
-1 2 6 564.38 324.79 72.11 o
0 2 6 2022.20 2507.61 123.05 o
1 2 6 4249.26 4334.51 241.23 o
2 2 6 11568.59 11461.27 343.87 o
3 2 6 118.92 300.15 82.46 o
4 2 6 11967.64 12036.89 408.87 o
-2 3 6 5853.03 5288.48 350.09 o
-1 3 6 83.55 46.34 93.04 o
0 3 6 5193.11 5852.43 213.70 o
1 3 6 1013.51 1178.16 89.98 o
2 3 6 1475.99 1487.43 156.64 o
3 3 6 1454.28 1463.20 150.56 o
4 3 6 7310.38 7610.58 357.07 o
-2 4 6 710.97 458.32 389.57 o
-1 4 6 20147.21 20571.22 649.68 o
0 4 6 2477.00 2239.83 173.37 o
1 4 6 2750.09 2782.01 145.73 o
2 4 6 4280.02 3993.30 165.04 o
3 4 6 1304.29 1402.49 108.10 o
4 4 6 7084.83 6484.70 294.48 o
0 5 6 475.37 540.94 93.27 o
1 5 6 152.89 92.71 78.41 o
2 5 6 252.32 330.91 106.03 o
-1 0 7 12733.26 14116.34 1007.74 o
1 0 7 2487.66 2709.29 436.79 o
3 0 7 1705.50 2075.08 219.89 o
5 0 7 19.81 40.53 25.42 o
-1 1 7 28036.91 26933.46 948.71 o
0 1 7 13420.91 12953.85 375.66 o
1 1 7 1981.87 1735.75 206.49 o
2 1 7 42632.32 42937.66 993.40 o
3 1 7 4119.39 3966.76 243.57 o
4 1 7 10257.60 10549.99 712.38 o
5 1 7 4301.10 3824.00 407.87 o
-1 2 7 11307.76 11325.42 457.62 o
0 2 7 19213.43 18869.01 556.26 o
1 2 7 5963.83 5813.47 345.64 o
2 2 7 2227.25 2644.71 179.94 o
3 2 7 44.24 173.96 46.80 o
4 2 7 139.92 7.04 96.19 o
5 2 7 1965.18 1998.15 302.06 o
-2 3 7 1295.02 1344.72 514.71 o
-1 3 7 1638.61 1860.10 191.47 o
0 3 7 303.90 408.78 95.30 o
1 3 7 240.60 263.10 111.60 o
2 3 7 91.47 246.22 75.20 o
3 3 7 2875.28 3224.02 436.95 o
4 3 7 24.90 44.31 32.54 o
-2 4 7 1966.26 1527.82 601.95 o
-1 4 7 170.03 247.31 201.81 o
0 4 7 1218.85 1283.06 114.95 o
1 4 7 75.87 18.93 86.92 o
2 4 7 11209.34 11520.50 388.96 o
3 4 7 544.79 510.13 234.60 o
4 4 7 1903.22 2027.31 263.58 o
-1 5 7 1757.28 1415.19 249.14 o
0 5 7 470.31 325.09 94.88 o
1 5 7 83.54 113.64 67.52 o
0 0 8 3014.12 2893.19 252.86 o
2 0 8 3134.74 3181.16 187.57 o
4 0 8 4553.30 4986.16 381.45 o
-1 1 8 796.29 967.41 228.69 o
0 1 8 843.23 633.92 149.35 o
1 1 8 584.75 619.97 137.47 o
2 1 8 30913.52 30029.84 964.63 o
3 1 8 3091.26 3116.54 201.77 o
4 1 8 63.60 38.36 74.08 o
5 1 8 1132.73 1836.43 226.69 o
-1 2 8 10145.06 9515.03 542.86 o
0 2 8 152.77 96.22 106.46 o
1 2 8 952.50 859.90 118.76 o
2 2 8 133.98 140.15 151.46 o
3 2 8 4283.35 4279.14 308.48 o
4 2 8 2803.39 2838.46 193.30 o
5 2 8 3456.87 3752.37 201.98 o
-1 3 8 1516.89 1743.81 214.27 o
0 3 8 1662.31 1734.68 194.29 o
1 3 8 274.48 382.05 135.17 o
2 3 8 43.77 14.30 47.83 o
3 3 8 1587.41 1929.64 194.21 o
4 3 8 206.46 191.62 105.28 o
-2 4 8 1398.23 1595.05 550.72 o
-1 4 8 128.33 55.02 143.90 o
0 4 8 263.31 319.53 111.41 o
1 4 8 2006.28 1725.85 117.12 o
2 4 8 8116.12 7826.65 392.51 o
3 4 8 163.00 190.06 101.12 o
-1 5 8 2487.68 2069.33 248.32 o
-1 0 9 5191.16 5613.87 587.15 o
1 0 9 14891.22 14054.62 450.13 o
3 0 9 4359.69 3773.50 338.11 o
-1 1 9 1197.35 877.39 193.70 o
0 1 9 6047.51 5498.75 365.34 o
1 1 9 522.67 485.21 95.83 o
2 1 9 3311.52 3264.83 208.66 o
3 1 9 638.82 652.03 213.66 o
4 1 9 1533.74 1636.70 158.91 o
5 1 9 4634.98 4316.89 378.37 o
-1 2 9 79.08 24.65 89.89 o
0 2 9 2998.86 3169.79 320.44 o
1 2 9 498.40 676.36 120.92 o
2 2 9 626.79 454.02 139.03 o
3 2 9 2727.35 3105.96 286.28 o
4 2 9 118.48 79.39 89.53 o
5 2 9 151.82 216.44 129.09 o
-1 3 9 1356.85 100.15 995.42 x
0 3 9 243.77 245.12 90.86 o
1 3 9 67.82 162.41 65.12 o
2 3 9 241.91 190.82 128.47 o
3 3 9 68.51 194.58 69.98 o
4 3 9 720.73 1171.92 173.37 o
-1 4 9 153.58 114.95 91.23 o
0 4 9 106.28 8.01 119.67 o
1 4 9 987.32 1248.97 145.08 o
2 4 9 679.87 925.10 125.11 o
0 0 10 65763.88 69637.60 3734.46 o
2 0 10 14653.51 13623.54 701.69 o
-1 1 10 733.78 809.61 371.27 o
0 1 10 2354.64 2469.19 346.58 o
1 1 10 1668.86 1624.90 148.03 o
2 1 10 589.97 296.19 126.30 o
3 1 10 795.37 803.01 135.10 o
4 1 10 2347.96 2218.30 182.30 o
5 1 10 2264.43 1530.88 275.32 o
-1 2 10 519.27 637.83 133.74 o
0 2 10 110.97 510.78 123.25 o
1 2 10 507.64 450.54 131.62 o
2 2 10 680.91 425.08 141.48 o
3 2 10 3476.19 3764.90 256.77 o
4 2 10 52.26 66.28 64.61 o
-1 3 10 80.05 3.06 92.58 o
0 3 10 465.68 239.22 102.51 o
1 3 10 97.99 231.29 79.54 o
2 3 10 746.35 586.34 178.14 o
3 3 10 3303.42 3076.52 293.86 o
-1 4 10 169.50 3.13 105.71 o
0 4 10 54.87 5.68 58.23 o
1 0 11 15622.41 15603.38 860.65 o
0 1 11 78.64 228.37 78.33 o
1 1 11 1568.54 1464.69 197.32 o
2 1 11 4507.56 3991.18 291.17 o
3 1 11 1858.78 1874.72 165.71 o
4 1 11 130.24 25.06 124.17 o
0 2 11 176.22 250.96 127.52 o
1 2 11 82.88 39.76 79.02 o
2 2 11 563.71 665.58 123.01 o
3 2 11 1909.35 1761.33 164.66 o
-1 3 11 1418.51 1335.27 298.27 o
0 3 11 39.29 5.40 43.09 o
1 3 11 1560.84 932.39 154.61 o
0 1 12 2002.09 2214.69 482.74 o
1 1 12 1610.03 1794.01 264.19 o
2 1 12 179.85 205.66 99.91 o
0 2 12 47.29 108.51 50.77 o
1 2 12 1196.19 967.94 158.74 o
0 1 13 1345.59 1479.38 435.37 o
1 1 13 654.85 807.30 106.69 o