#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/07/2100710.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_2100710_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                 110.607(11)
_cell_angle_gamma                90
_cell_length_a                   9.7148(16)
_cell_length_b                   4.9322(3)
_cell_length_c                   12.0145(16)
_[local]_cod_data_source_file    so50043_46GPasup5.hkl
_[local]_cod_data_source_block   3_46GPa
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 11270.94 12697.72 193.63 o
2 1 0 1139.95 1151.39 160.11 o
0 2 0 8.87 6.91 9.66 o
1 2 0 11130.37 12219.97 158.92 o
2 2 0 55970.38 51836.46 840.71 o
1 3 0 183.51 247.25 36.68 o
2 3 0 2601.79 2777.19 93.97 o
3 3 0 31871.88 30577.93 662.16 o
4 3 0 947.03 998.83 96.74 o
0 4 0 54.42 22.29 64.34 o
1 4 0 4296.13 4292.28 219.82 o
2 4 0 252.46 206.07 66.47 o
3 4 0 31.48 59.08 37.71 o
4 4 0 109.34 218.41 97.40 o
1 5 0 3539.28 3531.11 184.28 o
2 5 0 1718.40 1807.20 211.88 o
3 5 0 619.47 613.11 110.69 o
4 5 0 551.70 726.59 105.51 o
0 6 0 4777.79 4192.25 221.67 o
1 6 0 108.82 164.63 75.70 o
2 6 0 167.43 202.82 107.72 o
1 0 1 26900.64 28666.88 956.68 o
-1 1 1 1857.25 1769.04 65.75 o
0 1 1 11152.29 11894.80 165.02 o
1 1 1 496.99 538.15 29.86 o
2 1 1 47310.47 48931.25 753.71 o
-2 2 1 2420.52 1731.48 133.12 o
-1 2 1 1597.05 1325.06 54.13 o
0 2 1 6706.14 7372.90 147.84 o
1 2 1 258.17 412.59 26.45 o
2 2 1 3428.05 3167.48 215.57 o
-3 3 1 5485.68 6032.09 184.42 o
-2 3 1 8091.09 7709.25 181.85 o
-1 3 1 1499.40 1533.87 75.81 o
0 3 1 224.68 208.64 40.84 o
1 3 1 1036.60 1330.59 54.28 o
2 3 1 17350.14 16138.32 299.65 o
3 3 1 83.07 1.82 54.27 o
4 3 1 677.87 529.83 93.51 o
-4 4 1 3344.98 3203.14 164.52 o
-3 4 1 3577.12 3156.54 191.71 o
-2 4 1 45.24 46.79 53.16 o
-1 4 1 1255.34 1354.80 96.91 o
0 4 1 39.48 112.27 38.39 o
1 4 1 67.71 121.53 62.87 o
2 4 1 407.91 409.62 63.67 o
3 4 1 2405.61 2179.76 140.77 o
4 4 1 3064.18 3219.32 165.87 o
-4 5 1 45.48 56.97 53.74 o
-3 5 1 53.65 84.37 63.19 o
-2 5 1 9341.33 8574.11 247.60 o
-1 5 1 51.60 31.67 49.45 o
0 5 1 29278.29 29719.85 497.38 o
1 5 1 695.49 614.49 77.92 o
2 5 1 137.41 210.07 107.03 o
3 5 1 739.85 823.82 146.99 o
4 5 1 1188.52 1015.60 160.81 o
-2 6 1 4053.33 3941.25 267.04 o
-1 6 1 55.72 51.67 50.79 o
0 6 1 7738.71 7102.03 284.01 o
1 6 1 533.16 630.91 97.45 o
2 6 1 538.12 946.33 114.12 o
0 0 2 39552.43 40723.46 659.30 o
2 0 2 1360.71 1718.04 70.71 o
-1 1 2 12769.60 12902.06 232.34 o
0 1 2 50613.29 50135.42 659.86 o
1 1 2 22404.47 23903.32 276.72 o
2 1 2 2480.49 2582.14 99.39 o
-2 2 2 2793.13 3157.49 112.70 o
-1 2 2 1512.10 1702.21 70.49 o
0 2 2 1134.72 1307.97 55.07 o
1 2 2 48251.77 48178.66 912.88 o
2 2 2 1225.62 1386.30 137.10 o
3 2 2 1349.98 1672.21 83.27 o
4 2 2 139.22 149.32 103.09 o
-3 3 2 347.32 382.97 65.29 o
-2 3 2 191.13 190.01 50.74 o
-1 3 2 1624.19 1581.70 86.54 o
0 3 2 765.89 604.46 60.51 o
1 3 2 21466.85 19390.93 309.24 o
2 3 2 265.07 252.76 39.75 o
3 3 2 9583.82 8021.67 225.87 o
4 3 2 8373.30 8684.27 354.15 o
-4 4 2 1777.22 1624.48 383.39 o
-3 4 2 53.26 54.29 47.39 o
-2 4 2 13324.67 12677.43 427.85 o
-1 4 2 3801.21 4429.01 176.71 o
0 4 2 170.51 133.63 90.68 o
1 4 2 54.40 0.03 63.14 o
2 4 2 2299.99 2552.32 105.72 o
3 4 2 2926.45 2657.59 215.34 o
4 4 2 119.29 55.99 79.12 o
-4 5 2 411.90 442.15 104.16 o
-3 5 2 495.42 495.88 102.29 o
-2 5 2 9328.59 8306.39 284.55 o
-1 5 2 2119.76 2139.22 144.57 o
0 5 2 1247.80 1148.87 90.26 o
1 5 2 74.80 0.29 83.62 o
2 5 2 1240.57 1486.21 161.72 o
3 5 2 6552.75 7028.60 274.17 o
4 5 2 779.07 667.18 124.57 o
5 5 2 185.41 235.85 141.72 o
-2 6 2 1231.75 1536.61 143.11 o
-1 6 2 78.56 61.45 68.27 o
0 6 2 2914.57 3316.81 130.14 o
1 6 2 219.63 230.01 78.41 o
1 0 3 80373.13 76451.88 2420.03 o
-1 1 3 91294.64 96143.84 1178.91 o
0 1 3 97757.82 100234.87 936.95 o
1 1 3 14458.69 15814.83 247.94 o
2 1 3 7326.46 7891.71 156.64 o
-1 2 3 4488.02 4502.85 148.29 o
0 2 3 46693.93 45653.49 1092.74 o
1 2 3 44082.38 43728.01 1012.70 o
2 2 3 1099.47 1032.66 54.98 o
3 2 3 45.60 37.11 32.67 o
4 2 3 998.98 820.28 167.81 o
-3 3 3 5797.02 5913.50 261.70 o
-2 3 3 22.20 2.44 23.31 o
-1 3 3 4121.68 4091.66 125.97 o
0 3 3 2567.32 2569.73 82.15 o
1 3 3 20372.41 18486.22 299.04 o
2 3 3 158.40 235.91 56.06 o
3 3 3 7256.81 6875.61 228.03 o
4 3 3 38789.05 37775.63 874.25 o
5 3 3 573.68 691.52 170.48 o
-3 4 3 509.09 572.82 88.91 o
-2 4 3 26333.03 24405.31 605.48 o
-1 4 3 2097.24 2218.95 111.47 o
0 4 3 58.93 0.20 68.86 o
1 4 3 1754.31 1373.41 89.53 o
2 4 3 1558.93 1328.55 80.92 o
3 4 3 73.13 60.09 71.90 o
4 4 3 72.65 37.61 85.65 o
5 4 3 894.39 967.65 212.01 o
-4 5 3 184.25 275.17 129.52 o
-3 5 3 1099.50 757.33 142.23 o
-2 5 3 434.30 567.93 167.92 o
-1 5 3 185.57 137.30 74.48 o
0 5 3 723.28 706.24 86.96 o
1 5 3 3463.29 3451.92 185.19 o
2 5 3 1733.34 1587.46 292.67 o
3 5 3 80.88 11.91 91.33 o
4 5 3 2072.52 2221.33 162.85 o
5 5 3 1018.25 717.21 291.37 o
-2 6 3 4922.47 4358.62 280.50 o
-1 6 3 1732.24 1823.41 138.08 o
0 6 3 1028.01 1306.23 145.07 o
0 0 4 44941.73 47593.09 842.87 o
2 0 4 50923.25 44152.47 994.21 o
4 0 4 1672.69 1444.33 204.80 o
-1 1 4 16782.85 16394.44 437.37 o
0 1 4 80.88 82.90 19.80 o
1 1 4 19709.72 19083.86 255.82 o
2 1 4 34325.36 35614.19 641.73 o
3 1 4 7830.98 6900.42 171.75 o
4 1 4 844.85 620.47 123.33 o
-1 2 4 93.03 69.28 48.73 o
0 2 4 3280.26 2925.95 557.43 o
1 2 4 13768.36 13341.23 238.44 o
2 2 4 82.66 121.20 35.62 o
3 2 4 2042.36 2421.76 122.34 o
4 2 4 32231.56 33341.44 822.70 o
-3 3 4 336.98 427.70 92.95 o
-2 3 4 1308.37 1357.75 84.90 o
-1 3 4 3079.24 3018.13 98.76 o
0 3 4 6058.51 6337.73 146.25 o
1 3 4 1174.93 1149.00 75.47 o
2 3 4 3972.43 4172.00 225.50 o
3 3 4 10154.57 9366.76 219.76 o
4 3 4 5643.08 6061.94 215.27 o
5 3 4 1647.95 1921.44 233.89 o
-3 4 4 18.18 13.69 22.67 o
-2 4 4 16708.12 15740.87 425.15 o
-1 4 4 85.64 214.96 46.69 o
0 4 4 3282.21 3166.51 105.06 o
1 4 4 11073.00 10639.44 214.85 o
2 4 4 85.69 102.47 64.74 o
3 4 4 48.92 0.05 59.27 o
4 4 4 256.87 290.37 95.69 o
5 4 4 29.79 14.91 36.23 o
-3 5 4 343.43 273.60 101.51 o
-2 5 4 497.71 350.59 114.33 o
-1 5 4 71.92 35.96 81.21 o
0 5 4 639.01 541.71 102.61 o
1 5 4 6039.19 6116.83 242.32 o
2 5 4 134.82 5.30 152.53 o
3 5 4 245.76 200.85 148.55 o
4 5 4 657.67 686.19 121.88 o
-1 0 5 10546.08 11267.67 631.85 o
3 0 5 12549.04 11751.10 323.42 o
-1 1 5 42019.66 41356.98 941.16 o
0 1 5 2627.01 3324.70 100.88 o
2 1 5 1434.72 1298.58 59.26 o
3 1 5 2372.20 1831.92 104.51 o
4 1 5 3184.58 3232.28 227.13 o
-2 2 5 20468.63 22405.26 1164.58 o
-1 2 5 5199.78 4205.55 158.58 o
0 2 5 167.54 96.70 32.36 o
1 2 5 1526.39 1367.95 83.74 o
2 2 5 16887.56 17926.92 291.25 o
3 2 5 212.94 285.97 45.43 o
4 2 5 26720.87 26961.20 619.09 o
-2 3 5 1225.19 1323.60 227.94 o
-1 3 5 1547.04 1805.45 75.30 o
0 3 5 2252.10 2702.69 121.40 o
1 3 5 425.23 383.45 56.72 o
2 3 5 1885.49 1956.16 97.04 o
3 3 5 1847.97 1831.17 93.53 o
4 3 5 20920.35 20381.20 700.64 o
-3 4 5 2828.34 2858.97 261.20 o
-2 4 5 990.97 1009.31 93.24 o
-1 4 5 1566.19 1333.35 104.25 o
0 4 5 688.83 677.11 91.94 o
1 4 5 629.24 479.98 83.56 o
2 4 5 410.02 616.47 85.59 o
3 4 5 80.09 121.56 58.17 o
4 4 5 490.08 433.87 114.61 o
5 4 5 446.83 410.48 464.56 o
-3 5 5 362.49 324.19 153.25 o
-2 5 5 264.27 282.62 111.93 o
-1 5 5 198.24 92.04 214.28 o
0 5 5 691.60 704.60 163.21 o
1 5 5 98.54 69.59 103.85 o
2 5 5 578.48 727.11 95.68 o
3 5 5 200.47 228.16 111.69 o
4 5 5 69.89 63.77 68.26 o
0 0 6 3836.44 3142.77 352.50 o
2 0 6 3147.71 2381.54 141.96 o
4 0 6 704.35 715.32 98.17 o
0 1 6 4289.98 4439.18 155.71 o
1 1 6 103.44 80.42 34.66 o
2 1 6 287.47 696.41 48.16 o
3 1 6 2947.65 3249.01 115.60 o
4 1 6 125.17 75.14 68.57 o
-2 2 6 6073.69 6026.09 307.24 o
-1 2 6 288.21 206.44 53.58 o
0 2 6 3118.52 3458.10 138.05 o
1 2 6 3960.08 3789.65 220.38 o
2 2 6 12234.31 12214.94 233.75 o
3 2 6 135.50 126.78 71.84 o
4 2 6 14243.22 13505.84 720.82 o
-2 3 6 4732.93 4478.42 182.35 o
-1 3 6 42.91 15.36 47.87 o
0 3 6 4228.00 3949.86 149.30 o
1 3 6 1026.05 898.85 113.43 o
2 3 6 1372.82 1265.24 102.31 o
3 3 6 1404.57 1824.14 100.38 o
4 3 6 5863.72 5648.84 233.31 o
-3 4 6 148.92 103.10 95.85 o
-2 4 6 64.99 87.96 70.85 o
-1 4 6 17654.76 17173.60 478.70 o
0 4 6 1515.10 1790.90 147.96 o
1 4 6 3123.66 3254.49 210.12 o
2 4 6 4584.32 5453.29 190.18 o
3 4 6 2099.65 1914.17 111.37 o
4 4 6 6142.03 6384.04 493.33 o
0 5 6 756.65 696.29 135.59 o
1 5 6 73.47 80.81 83.71 o
2 5 6 375.49 389.86 77.40 o
3 5 6 381.32 272.73 96.89 o
-1 0 7 13167.24 13955.70 804.66 o
1 0 7 3637.64 3582.81 207.77 o
3 0 7 1823.21 2175.86 242.71 o
5 0 7 24.96 81.05 30.64 o
-1 1 7 30082.33 29365.32 648.87 o
0 1 7 12113.25 11946.39 333.44 o
1 1 7 1890.84 1713.20 84.49 o
2 1 7 41730.09 41919.13 692.91 o
3 1 7 3688.64 3742.86 192.79 o
4 1 7 8315.67 9605.98 357.97 o
5 1 7 2082.93 2800.62 258.98 o
-2 2 7 4348.20 3695.00 272.89 o
-1 2 7 9883.03 12418.62 395.45 o
0 2 7 21148.51 21414.37 517.17 o
1 2 7 7848.11 7108.64 203.88 o
2 2 7 2655.41 2844.34 277.31 o
3 2 7 26.94 52.59 33.42 o
4 2 7 74.68 25.02 59.83 o
-2 3 7 869.14 1231.94 340.24 o
-1 3 7 1227.11 1421.26 141.08 o
0 3 7 186.39 251.12 64.57 o
1 3 7 75.33 98.40 51.31 o
2 3 7 57.05 79.67 59.88 o
3 3 7 2438.06 2521.70 170.05 o
4 3 7 88.10 0.27 79.99 o
-2 4 7 1475.91 1705.97 207.28 o
-1 4 7 619.37 647.62 214.31 o
0 4 7 738.50 969.06 96.76 o
1 4 7 92.29 95.37 70.77 o
2 4 7 11063.80 11643.44 248.27 o
3 4 7 741.61 756.35 126.28 o
4 4 7 1987.64 1997.47 375.30 o
0 5 7 296.95 311.69 103.88 o
1 5 7 48.27 51.32 50.76 o
2 5 7 60.63 50.90 68.49 o
0 0 8 4338.23 4300.82 244.23 o
2 0 8 2703.09 2627.44 181.15 o
4 0 8 4985.83 4242.29 411.72 o
-1 1 8 682.94 705.62 111.67 o
0 1 8 694.75 683.44 140.12 o
1 1 8 609.07 386.99 80.32 o
2 1 8 36176.91 34294.05 991.22 o
3 1 8 3493.07 4041.02 238.11 o
4 1 8 101.84 114.01 99.71 o
5 1 8 1848.85 2190.12 246.86 o
-2 2 8 415.06 357.54 123.94 o
-1 2 8 8665.45 9008.97 342.80 o
0 2 8 79.91 68.55 74.15 o
1 2 8 491.01 427.18 111.10 o
2 2 8 50.35 25.29 52.58 o
3 2 8 4838.39 4536.36 224.27 o
4 2 8 2539.31 2489.96 157.53 o
5 2 8 2577.54 3245.71 293.71 o
-2 3 8 78.79 182.63 73.53 o
-1 3 8 1889.26 2052.53 184.85 o
0 3 8 1307.21 1838.57 118.83 o
1 3 8 262.04 485.95 184.03 o
2 3 8 62.80 31.05 64.38 o
3 3 8 1050.91 1277.10 130.75 o
4 3 8 231.84 350.69 102.53 o
-2 4 8 1258.24 1329.23 193.48 o
-1 4 8 113.85 59.50 81.22 o
0 4 8 215.03 413.00 101.68 o
1 4 8 1376.80 1208.55 120.50 o
2 4 8 6295.21 7105.62 266.57 o
3 4 8 452.16 743.78 202.73 o
-1 5 8 2184.88 2090.57 264.93 o
0 5 8 73.16 17.36 85.03 o
-1 0 9 7654.27 7195.66 600.31 o
1 0 9 15013.33 13433.58 392.35 o
3 0 9 3568.70 4045.32 190.60 o
-1 1 9 1110.17 995.09 137.50 o
0 1 9 5942.15 6160.54 423.18 o
1 1 9 230.25 222.50 90.99 o
2 1 9 5125.77 4989.64 405.58 o
3 1 9 1257.21 1177.60 162.50 o
4 1 9 1781.43 1624.76 146.24 o
-1 2 9 47.62 22.48 49.13 o
0 2 9 4097.29 3630.05 483.93 o
1 2 9 578.41 855.04 126.81 o
2 2 9 430.09 447.91 136.33 o
3 2 9 3847.30 3606.71 206.83 o
4 2 9 230.98 253.90 102.52 o
5 2 9 222.62 194.58 150.23 o
-2 3 9 4957.96 6223.80 1585.66 o
-1 3 9 76.10 99.07 74.20 o
0 3 9 586.78 521.93 124.95 o
1 3 9 77.98 125.89 70.66 o
2 3 9 119.12 152.83 90.43 o
3 3 9 78.06 43.54 72.55 o
4 3 9 652.26 835.59 128.41 o
-2 4 9 1069.93 907.05 336.13 o
-1 4 9 102.09 56.96 79.37 o
0 4 9 41.67 55.45 45.37 o
1 4 9 1131.05 1384.26 139.30 o
2 4 9 496.72 588.63 204.58 o
0 0 10 76870.48 74372.01 1723.39 o
2 0 10 15765.74 15719.46 439.29 o
-1 1 10 1948.81 1758.43 379.51 o
0 1 10 2294.67 2674.19 205.89 o
1 1 10 1093.63 913.22 159.51 o
2 1 10 242.22 445.23 133.14 o
3 1 10 811.84 727.47 125.39 o
4 1 10 2017.98 1704.46 159.24 o
5 1 10 1987.81 1652.96 290.94 o
-1 2 10 437.27 516.66 135.28 o
0 2 10 588.30 447.41 162.56 o
1 2 10 233.02 375.21 126.05 o
2 2 10 509.52 383.48 113.81 o
3 2 10 3015.45 3585.15 191.22 o
4 2 10 71.22 9.79 83.31 o
-1 3 10 79.85 49.52 74.00 o
0 3 10 369.96 281.32 110.92 o
1 3 10 287.38 401.00 118.15 o
2 3 10 430.37 480.97 242.37 o
3 3 10 2696.82 2376.77 352.20 o
-1 4 10 72.25 1.12 82.51 o
0 4 10 52.44 2.37 64.47 o
1 4 10 2270.07 2539.95 320.34 o
1 0 11 18330.79 18064.51 738.67 o
-1 1 11 225.57 215.05 196.67 o
0 1 11 152.58 166.25 150.90 o
1 1 11 1527.22 1462.55 160.14 o
2 1 11 4640.81 4090.84 363.92 o
3 1 11 1718.44 1681.07 158.83 o
4 1 11 55.72 53.07 67.61 o
-1 2 11 70.08 14.86 73.14 o
0 2 11 294.93 253.38 95.36 o
1 2 11 147.12 99.47 103.80 o
2 2 11 403.14 580.58 120.09 o
3 2 11 1882.07 1897.70 181.50 o
-1 3 11 1087.69 1007.20 177.63 o
0 3 11 67.06 0.86 78.25 o
1 3 11 756.23 674.26 130.90 o
2 3 11 226.96 126.81 110.56 o
-1 4 11 111.74 76.67 91.15 o
0 0 12 10620.08 11628.91 779.60 o
-1 1 12 2814.75 2647.01 491.43 o
0 1 12 2470.35 2328.24 334.54 o
1 1 12 2276.50 2473.01 276.53 o
2 1 12 419.39 375.78 116.92 o
3 1 12 170.66 72.07 137.24 o
-1 2 12 132.28 86.80 121.00 o
0 2 12 95.84 85.13 75.95 o
1 2 12 764.19 795.86 163.89 o
2 2 12 226.19 267.80 110.24 o
-1 3 12 271.94 475.96 179.46 o
0 3 12 96.97 7.92 111.33 o
0 1 13 2026.42 1821.27 432.47 o
1 1 13 958.38 1032.04 134.14 o
0 2 13 665.22 689.99 166.98 o