#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2100711.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_2100711_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                 110.064(10)
_cell_angle_gamma                90
_cell_length_a                   9.5728(15)
_cell_length_b                   4.9342(3)
_cell_length_c                   11.7537(15)
_[local]_cod_data_source_file    so50044_55GPasup6.hkl
_[local]_cod_data_source_block   4_55GPa
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 10172.08 11229.75 378.09 o
0 2 0 97.29 83.80 37.34 o
1 2 0 10995.23 12767.50 221.65 o
2 2 0 56904.45 55256.43 1149.66 o
1 3 0 113.68 161.43 43.65 o
2 3 0 2778.72 2962.42 120.53 o
3 3 0 30623.51 30481.90 1013.12 o
4 3 0 1039.76 740.19 236.03 o
0 4 0 47.86 26.50 58.70 o
1 4 0 4602.17 5038.19 191.79 o
2 4 0 159.42 188.65 134.03 o
3 4 0 49.66 0.87 52.03 o
4 4 0 57.39 126.67 59.32 o
1 5 0 3468.21 3238.70 156.48 o
2 5 0 2826.77 2703.06 177.38 o
3 5 0 558.94 675.04 173.76 o
4 5 0 440.94 526.16 128.28 o
0 6 0 2717.05 2353.49 205.54 o
1 6 0 83.90 154.05 83.19 o
2 6 0 824.79 557.85 160.22 o
1 0 1 25793.42 26363.49 935.29 o
-1 1 1 1758.48 2173.20 109.03 o
0 1 1 9505.40 10007.36 309.58 o
1 1 1 506.83 567.80 33.68 o
2 1 1 43510.14 46214.10 1110.10 o
-2 2 1 1947.62 1641.32 192.10 o
-1 2 1 911.38 806.91 54.51 o
0 2 1 7119.98 7767.30 200.09 o
1 2 1 28.01 75.18 21.94 o
2 2 1 4530.08 4678.24 353.47 o
-3 3 1 7963.43 7512.02 331.62 o
-2 3 1 8264.50 8134.76 230.40 o
-1 3 1 1683.40 1656.79 64.55 o
0 3 1 388.38 331.38 55.78 o
1 3 1 1580.07 1935.65 91.67 o
2 3 1 16626.68 14629.75 465.80 o
3 3 1 155.88 97.25 81.20 o
4 3 1 459.80 394.13 185.53 o
-4 4 1 3279.04 3172.02 233.75 o
-3 4 1 3256.93 3675.78 180.91 o
-2 4 1 237.43 470.66 107.36 o
-1 4 1 968.04 881.78 113.11 o
0 4 1 60.05 115.84 58.59 o
1 4 1 73.81 101.23 65.61 o
2 4 1 422.26 373.23 76.19 o
3 4 1 2243.74 2382.50 133.06 o
4 4 1 3048.83 3317.02 228.60 o
-4 5 1 87.56 13.27 88.13 o
-3 5 1 90.48 128.51 81.93 o
-2 5 1 9904.80 9980.60 609.67 o
-1 5 1 425.42 553.42 117.79 o
0 5 1 33458.14 32288.04 856.11 o
1 5 1 817.00 736.84 117.12 o
2 5 1 344.01 419.16 114.79 o
3 5 1 716.95 699.24 143.87 o
4 5 1 741.57 753.99 131.59 o
-2 6 1 3941.47 3886.67 435.71 o
-1 6 1 106.77 266.34 92.41 o
0 6 1 8349.19 7637.83 599.69 o
1 6 1 198.26 326.14 125.21 o
2 6 1 1325.65 1079.72 156.44 o
0 0 2 36487.66 35991.27 817.73 o
2 0 2 1473.06 1450.00 111.15 o
-1 1 2 10376.08 10717.03 375.88 o
0 1 2 46635.30 45871.44 977.54 o
1 1 2 21128.07 21980.50 410.39 o
2 1 2 2346.60 2567.96 87.17 o
-2 2 2 4057.61 4329.28 205.89 o
-1 2 2 1519.83 1984.38 77.11 o
0 2 2 1127.58 1061.55 66.83 o
1 2 2 48779.31 52177.26 973.62 o
2 2 2 1417.86 1695.59 154.47 o
3 2 2 1193.75 1248.59 77.68 o
4 2 2 154.45 126.31 118.43 o
-3 3 2 700.41 670.29 193.88 o
-2 3 2 487.65 487.62 68.69 o
-1 3 2 1242.31 1561.66 73.74 o
0 3 2 785.95 765.24 73.75 o
1 3 2 18410.71 18102.10 429.23 o
2 3 2 37.69 105.11 34.38 o
3 3 2 8008.73 7028.60 259.75 o
4 3 2 11257.50 11492.22 444.49 o
-3 4 2 116.87 150.23 86.23 o
-2 4 2 16135.23 16208.57 556.37 o
-1 4 2 6026.81 6362.26 227.78 o
0 4 2 80.95 85.34 66.33 o
1 4 2 70.93 1.22 84.47 o
2 4 2 2188.80 2154.21 184.71 o
3 4 2 4087.45 3427.91 172.07 o
4 4 2 55.35 3.79 66.79 o
-4 5 2 593.51 585.99 389.77 o
-3 5 2 377.79 311.06 133.92 o
-2 5 2 8882.14 8138.59 350.81 o
-1 5 2 2929.59 2467.03 161.47 o
0 5 2 133.16 248.56 91.33 o
1 5 2 49.50 0.78 52.45 o
2 5 2 2098.63 2191.67 221.82 o
3 5 2 5963.63 7569.83 337.70 o
4 5 2 258.95 434.34 173.93 o
-2 6 2 1840.70 1440.26 348.90 o
-1 6 2 105.95 8.04 121.25 o
0 6 2 4026.72 4498.44 214.54 o
1 6 2 235.00 222.31 141.62 o
1 0 3 86976.79 79047.76 3650.48 o
-1 1 3 86268.46 91818.69 1657.84 o
0 1 3 97405.17 99119.59 1028.26 o
1 1 3 14755.03 15896.95 287.66 o
2 1 3 6553.11 7380.19 171.07 o
-1 2 3 4551.05 4370.03 226.71 o
0 2 3 44676.61 43887.24 1259.56 o
1 2 3 48848.46 45108.82 2220.15 o
2 2 3 1128.37 995.44 62.31 o
3 2 3 46.45 8.34 53.51 o
4 2 3 1045.89 1089.32 166.07 o
-3 3 3 9294.84 7355.80 771.18 o
-2 3 3 81.14 19.44 61.94 o
-1 3 3 4849.63 5200.01 152.58 o
0 3 3 2725.77 2633.49 111.50 o
1 3 3 22396.54 20663.91 491.23 o
2 3 3 237.62 250.10 64.19 o
3 3 3 8222.23 7834.79 246.12 o
4 3 3 36941.83 38723.38 1250.30 o
-3 4 3 504.99 367.71 183.27 o
-2 4 3 27873.91 26218.25 771.83 o
-1 4 3 2493.54 2430.22 151.41 o
0 4 3 67.84 6.29 56.23 o
1 4 3 1121.36 984.08 82.24 o
2 4 3 1800.73 1761.93 126.84 o
3 4 3 70.47 54.90 69.36 o
4 4 3 71.32 120.82 82.58 o
5 4 3 764.82 1080.30 189.48 o
-3 5 3 1238.94 727.44 155.16 o
-2 5 3 151.02 223.53 115.19 o
-1 5 3 337.66 324.55 111.69 o
0 5 3 753.80 970.42 114.21 o
1 5 3 4569.01 4860.01 259.16 o
2 5 3 1689.56 1551.59 274.57 o
3 5 3 95.33 23.76 107.47 o
4 5 3 1653.43 2364.57 162.95 o
5 5 3 610.39 767.71 241.69 o
-2 6 3 4079.01 4468.04 611.19 o
-1 6 3 1639.60 1524.29 179.44 o
0 6 3 1293.75 1680.12 195.23 o
0 0 4 44685.35 48385.50 1075.95 o
2 0 4 49556.63 45688.47 1394.82 o
4 0 4 1420.57 1231.64 175.60 o
-1 1 4 19372.02 19067.88 647.40 o
0 1 4 226.76 144.61 33.47 o
1 1 4 20091.43 19249.68 422.30 o
2 1 4 32024.21 33026.55 865.45 o
3 1 4 6889.13 6804.69 245.87 o
4 1 4 429.34 534.45 107.51 o
-1 2 4 56.83 0.07 50.88 o
0 2 4 2687.41 2315.71 165.75 o
1 2 4 11757.79 10555.14 277.99 o
2 2 4 48.92 43.49 53.80 o
3 2 4 2366.02 2479.50 154.06 o
4 2 4 34959.39 36672.09 1126.55 o
-2 3 4 1524.51 1685.72 165.43 o
-1 3 4 2784.05 2586.11 111.10 o
0 3 4 7017.24 6915.60 187.98 o
1 3 4 1488.49 1507.76 85.86 o
2 3 4 4156.34 3988.33 203.17 o
3 3 4 9457.04 8899.27 297.16 o
4 3 4 6212.39 6520.18 274.90 o
-3 4 4 147.62 197.77 144.82 o
-2 4 4 14387.80 15167.53 733.46 o
-1 4 4 122.59 217.46 66.06 o
0 4 4 3745.84 3541.86 170.20 o
1 4 4 11241.88 10832.68 461.83 o
2 4 4 52.95 112.31 55.48 o
3 4 4 71.84 28.63 83.45 o
4 4 4 391.14 447.77 117.01 o
5 4 4 122.84 127.15 113.28 o
-3 5 4 511.88 422.92 300.41 o
-2 5 4 602.40 445.12 231.62 o
-1 5 4 88.79 11.64 88.53 o
0 5 4 262.45 406.01 133.67 o
1 5 4 6632.82 6177.90 318.81 o
2 5 4 280.17 2.89 218.93 o
3 5 4 192.17 189.47 111.26 o
4 5 4 621.69 781.10 156.74 o
-1 0 5 9595.82 10309.63 836.84 o
1 0 5 8701.74 9268.17 844.87 o
3 0 5 12623.45 11650.83 469.36 o
-1 1 5 43449.32 43854.70 1219.64 o
0 1 5 2634.86 3885.30 399.39 o
2 1 5 1572.01 1016.43 70.68 o
3 1 5 2863.72 2006.07 131.86 o
4 1 5 4165.08 3786.62 414.59 o
-2 2 5 26725.66 24810.83 2256.11 o
-1 2 5 4484.63 3807.95 243.40 o
0 2 5 22.22 24.23 24.31 o
1 2 5 1034.88 1079.67 76.83 o
2 2 5 17839.75 20774.42 455.67 o
3 2 5 47.93 132.60 41.20 o
4 2 5 26006.14 23947.49 874.85 o
-2 3 5 1285.13 1489.59 162.14 o
-1 3 5 1693.09 1539.12 118.12 o
0 3 5 2166.09 2133.22 103.13 o
1 3 5 459.08 408.36 70.43 o
2 3 5 1996.72 1905.25 117.02 o
3 3 5 3085.85 2792.87 129.93 o
4 3 5 19822.44 18948.80 674.14 o
-3 4 5 5298.81 4626.56 398.63 o
-2 4 5 525.43 410.79 163.15 o
-1 4 5 1122.60 787.04 89.11 o
0 4 5 724.84 796.64 104.81 o
1 4 5 966.91 700.99 179.32 o
2 4 5 398.34 733.96 118.42 o
3 4 5 85.90 155.31 66.16 o
4 4 5 150.37 116.97 84.47 o
5 4 5 180.10 294.74 152.47 o
-3 5 5 420.80 341.53 275.49 o
-2 5 5 156.43 217.22 128.11 o
0 5 5 948.09 628.88 144.48 o
1 5 5 346.17 262.24 146.51 o
2 5 5 929.76 977.58 111.64 o
3 5 5 161.02 320.16 123.62 o
0 0 6 3192.10 3057.95 417.58 o
2 0 6 2547.78 2251.79 209.06 o
4 0 6 473.87 568.92 178.88 o
0 1 6 4325.52 4471.21 251.57 o
1 1 6 72.70 88.85 43.62 o
2 1 6 769.38 1640.70 64.75 o
3 1 6 3557.70 3399.66 336.11 o
4 1 6 62.58 70.56 65.21 o
-2 2 6 5554.86 5908.78 674.08 o
-1 2 6 375.56 197.64 101.33 o
0 2 6 2410.50 2864.43 211.48 o
1 2 6 4208.33 4008.16 165.84 o
2 2 6 11976.71 11828.02 329.34 o
3 2 6 1379.72 437.08 738.46 o
4 2 6 11850.97 11556.25 455.98 o
-2 3 6 5759.97 4789.24 369.13 o
-1 3 6 70.00 36.85 71.84 o
0 3 6 5403.70 4812.26 221.51 o
1 3 6 996.34 929.55 113.17 o
2 3 6 1449.59 1268.00 111.26 o
3 3 6 1422.47 1413.15 196.21 o
4 3 6 6746.98 6376.60 296.42 o
-2 4 6 230.58 165.68 266.37 o
-1 4 6 21142.63 20579.41 723.77 o
0 4 6 2459.05 2316.74 168.23 o
1 4 6 2597.35 2949.10 141.73 o
2 4 6 4319.97 4690.31 286.79 o
3 4 6 1665.56 1736.15 123.57 o
4 4 6 6491.38 6545.52 313.61 o
-1 5 6 905.49 1428.28 523.89 o
0 5 6 607.23 774.74 159.79 o
1 5 6 49.01 60.15 53.22 o
2 5 6 151.07 244.06 95.92 o
3 5 6 554.30 371.84 218.72 o
-1 0 7 13480.46 13308.70 1208.34 o
1 0 7 4021.17 3721.54 364.82 o
3 0 7 1734.48 2409.38 143.53 o
5 0 7 80.02 68.19 83.12 o
-1 1 7 31039.90 30144.78 1014.81 o
0 1 7 12926.61 13062.15 412.03 o
1 1 7 1776.34 1910.00 139.37 o
2 1 7 40842.48 40707.19 1139.90 o
3 1 7 3907.60 3713.03 203.31 o
4 1 7 7819.69 9002.30 645.59 o
5 1 7 2727.03 3521.84 279.36 o
-1 2 7 11501.30 12599.52 771.20 o
0 2 7 20283.89 20002.58 665.90 o
1 2 7 6496.11 6630.30 272.17 o
2 2 7 2239.26 3021.52 159.95 o
3 2 7 42.77 75.96 44.99 o
4 2 7 78.55 14.33 74.77 o
5 2 7 1661.26 1494.82 224.29 o
-2 3 7 1175.05 1280.18 205.43 o
-1 3 7 1601.57 1820.23 173.88 o
0 3 7 168.35 184.90 83.16 o
1 3 7 100.82 148.14 74.59 o
2 3 7 134.27 183.59 92.27 o
3 3 7 2480.16 2979.76 172.86 o
4 3 7 71.11 13.09 67.44 o
-2 4 7 749.63 1586.93 573.00 o
-1 4 7 223.21 354.59 140.63 o
0 4 7 808.17 1127.49 157.91 o
1 4 7 88.92 48.92 103.28 o
2 4 7 11775.12 11545.80 324.54 o
3 4 7 576.01 672.91 130.75 o
4 4 7 1878.40 1781.09 230.92 o
-1 5 7 963.33 1394.03 645.94 o
0 5 7 323.56 390.72 100.99 o
1 5 7 83.38 82.20 73.47 o
0 0 8 3386.42 3213.52 590.99 o
2 0 8 2819.47 2668.96 177.08 o
4 0 8 5029.71 4321.40 246.93 o
-1 1 8 1076.17 951.87 154.20 o
0 1 8 967.97 875.32 144.00 o
1 1 8 588.16 653.95 122.83 o
2 1 8 31732.56 31883.66 947.77 o
3 1 8 3437.20 3635.72 194.85 o
4 1 8 118.97 44.65 136.48 o
5 1 8 1907.88 1977.96 243.25 o
-1 2 8 10142.46 8828.18 438.66 o
0 2 8 79.83 44.81 94.56 o
1 2 8 528.86 710.06 107.22 o
2 2 8 79.31 173.59 73.94 o
3 2 8 4319.87 4139.30 262.13 o
4 2 8 2672.60 2839.62 217.28 o
5 2 8 3522.71 3032.06 767.87 o
-1 3 8 2171.91 2135.57 242.09 o
0 3 8 1721.46 1963.43 175.37 o
1 3 8 618.25 553.71 187.61 o
2 3 8 218.76 14.79 123.38 o
3 3 8 1653.92 1684.36 152.60 o
4 3 8 233.11 291.73 114.72 o
-2 4 8 1053.41 1248.45 692.99 o
-1 4 8 86.15 70.45 99.89 o
0 4 8 198.20 289.76 121.28 o
1 4 8 1983.41 1578.31 165.63 o
2 4 8 7852.98 7754.85 328.32 o
3 4 8 71.13 252.55 74.04 o
-1 5 8 2183.01 2134.24 240.95 o
0 5 8 111.30 2.04 90.47 o
-1 0 9 5502.31 6483.11 697.51 o
1 0 9 14924.99 13501.88 509.03 o
3 0 9 3591.81 3457.83 382.50 o
-1 1 9 1010.56 979.34 178.79 o
0 1 9 6323.13 6487.19 340.95 o
1 1 9 463.36 522.81 99.88 o
2 1 9 3662.90 3769.33 277.27 o
3 1 9 521.51 701.13 166.55 o
4 1 9 1121.87 1406.50 137.27 o
5 1 9 4368.31 4152.12 376.41 o
-1 2 9 105.54 4.33 96.79 o
0 2 9 3641.73 2979.74 253.37 o
1 2 9 544.52 833.88 160.02 o
2 2 9 234.28 340.87 164.49 o
3 2 9 3165.11 3242.19 205.28 o
4 2 9 246.70 43.00 119.61 o
5 2 9 199.02 240.56 146.14 o
-1 3 9 141.00 0.44 158.58 o
0 3 9 118.26 320.42 92.66 o
1 3 9 59.19 69.19 64.02 o
2 3 9 378.31 260.92 132.25 o
3 3 9 92.68 106.55 83.16 o
4 3 9 699.53 955.55 197.86 o
-1 4 9 77.43 71.08 91.91 o
0 4 9 138.78 13.60 111.54 o
1 4 9 1262.87 1108.03 164.34 o
2 4 9 616.71 781.72 175.36 o
0 0 10 79011.23 78520.09 3309.44 o
2 0 10 17069.12 14077.72 589.59 o
-1 1 10 2070.57 1697.28 501.16 o
0 1 10 2378.84 2765.87 372.54 o
1 1 10 1344.90 1069.20 137.06 o
2 1 10 67.53 238.53 69.22 o
3 1 10 1118.95 947.00 140.04 o
4 1 10 2018.09 1807.08 168.94 o
5 1 10 1929.59 1496.38 244.53 o
-1 2 10 1039.63 771.14 242.72 o
0 2 10 154.62 351.64 132.13 o
1 2 10 414.71 398.96 215.79 o
2 2 10 304.52 367.03 122.20 o
3 2 10 3569.30 4146.14 264.80 o
4 2 10 140.07 18.08 103.41 o
-1 3 10 86.81 38.71 90.92 o
0 3 10 189.61 281.60 114.15 o
1 3 10 317.58 326.39 131.75 o
2 3 10 503.26 520.67 131.18 o
3 3 10 3336.43 2740.89 210.76 o
-1 4 10 62.57 0.39 66.80 o
0 4 10 91.04 2.33 108.23 o
1 4 10 3059.09 3164.34 994.37 o
1 0 11 16163.61 16797.30 3896.84 o
0 1 11 210.01 185.65 161.28 o
1 1 11 1592.94 1578.46 170.43 o
2 1 11 4624.46 4128.15 406.09 o
3 1 11 1561.75 1721.48 311.53 o
4 1 11 103.81 67.35 119.41 o
-1 2 11 237.94 0.14 243.49 o
0 2 11 280.64 298.98 224.43 o
1 2 11 132.11 39.40 101.85 o
2 2 11 425.34 625.99 178.55 o
3 2 11 2229.48 1923.85 168.73 o
-1 3 11 922.09 1036.87 259.86 o
0 3 11 80.02 16.94 93.83 o
1 3 11 920.67 982.90 143.64 o
2 3 11 335.39 17.53 396.40 o
0 1 12 2710.89 2784.22 298.41 o
1 1 12 2559.95 1976.31 194.11 o
2 1 12 79.22 200.80 86.00 o
0 2 12 186.58 124.47 107.56 o
1 2 12 897.64 982.54 205.61 o
2 2 12 188.72 426.80 205.20 o
0 3 12 82.06 26.50 84.43 o
0 1 13 1044.85 1673.43 751.92 o
1 1 13 859.47 872.06 154.80 o
0 2 13 343.18 693.73 212.29 o