#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/33/2013342.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_2013342_Fobs
loop_
_publ_author_name
'Odoko, Mamiko'
'Yamamoto, Kyouta'
'Hosen, Masahiro'
'Okabe, Nobuo'
_publ_section_title
;
 <i>fac</i>-Tris(2-ethyl-4-oxo-4<i>H</i>-pyran-3-olato-\k^2^<i>O</i>^3^,<i>O</i>^4^)iron(III)
 and its aluminium(III) analog
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m121
_journal_page_last               m123
_journal_volume                  59
_journal_year                    2003
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_[local]_cod_data_source_file    ob1104IIsup2.hkl
_[local]_cod_data_source_block   II
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_F_squared_calc
_refln_observed_status
0 0 -28 694.15 67.49 709.74 o
0 0 -26 81.93 13.56 65.39 o
0 0 -24 1623.28 109.21 1626.12 o
0 0 -22 463.90 45.77 491.46 o
0 0 -20 925.99 70.01 975.11 o
0 0 -16 5370.08 274.21 5034.02 o
0 0 -14 8152.25 425.97 8298.13 o
0 0 -12 673.68 45.15 664.55 o
0 0 -10 441.91 31.07 403.56 o
0 0 -8 196.41 18.57 180.05 o
0 0 -6 9539.82 471.25 9203.74 o
0 0 -4 30338.16 1501.53 29495.73 o
0 0 6 9639.36 473.09 9203.74 o
0 0 8 216.18 18.93 180.05 o
0 0 10 431.68 31.42 403.56 o
0 0 12 730.78 46.27 664.55 o
0 0 14 8182.69 427.14 8298.13 o
0 0 16 5310.43 273.20 5034.02 o
0 0 20 1023.69 69.64 975.11 o
0 0 22 426.84 43.64 491.46 o
0 0 24 1699.94 110.79 1626.12 o
0 0 26 79.73 12.26 65.39 o
0 0 28 744.19 69.71 709.74 o
0 1 -29 431.07 43.43 461.79 o
0 1 -28 93.65 15.90 94.58 o
0 1 -27 167.73 18.11 159.41 o
0 1 -26 544.85 55.23 458.17 o
0 1 -25 631.67 60.40 685.65 o
0 1 -24 112.67 14.60 111.75 o
0 1 -23 55.43 11.25 20.81 o
0 1 -22 770.73 67.17 898.32 o
0 1 -21 1775.90 117.31 1939.52 o
0 1 -20 485.56 43.63 441.14 o
0 1 -19 71.95 10.09 26.86 o
0 1 -18 1720.73 103.48 1667.58 o
0 1 -17 1203.35 77.12 1173.50 o
0 1 -16 785.08 57.75 836.00 o
0 1 -15 1830.14 103.32 1656.76 o
0 1 -14 1671.99 97.27 1631.03 o
0 1 -13 852.41 54.07 782.78 o
0 1 -12 919.30 55.71 834.46 o
0 1 -11 1097.05 69.96 1218.63 o
0 1 -10 954.23 55.86 890.51 o
0 1 -9 2729.70 135.52 2400.78 o
0 1 -8 2517.34 122.28 2117.37 o
0 1 -7 15329.98 740.70 14328.70 o
0 1 -6 155.22 14.16 116.91 o
0 1 -5 20.25 4.33 12.85 o
0 1 -4 4855.24 240.69 4644.74 o
0 1 -3 14186.50 698.49 13737.49 o
0 1 -2 13882.96 696.10 13838.44 o
0 1 3 13932.75 694.13 13737.49 o
0 1 4 4975.46 242.69 4644.74 o
0 1 5 23.54 4.24 12.85 o
0 1 6 146.98 14.29 116.91 o
0 1 7 15531.56 744.04 14328.70 o
0 1 8 2428.11 120.33 2117.37 o
0 1 9 2668.30 134.70 2400.78 o
0 1 10 920.42 55.32 890.51 o
0 1 11 1118.53 70.56 1218.63 o
0 1 12 855.12 55.85 834.46 o
0 1 13 801.46 53.39 782.79 o
0 1 14 1774.71 99.47 1631.02 o
0 1 15 1942.26 105.94 1656.78 o
0 1 16 664.64 56.79 836.01 o
0 1 17 1116.72 76.73 1173.50 o
0 1 18 1652.24 104.66 1667.59 o
0 1 19 28.35 11.36 26.86 o
0 1 20 514.66 44.75 441.14 o
0 1 21 1916.92 120.56 1939.52 o
0 1 22 782.48 68.78 898.32 o
0 1 24 128.79 14.41 111.75 o
0 1 25 678.78 62.07 685.65 o
0 1 26 562.97 56.99 458.17 o
0 1 27 140.76 17.62 159.41 o
0 1 28 73.83 16.01 94.58 o
0 1 29 452.83 42.70 461.79 o
0 2 -28 24.55 34.78 82.81 o
0 2 -27 21.69 29.47 33.14 o
0 2 -26 356.87 35.42 382.33 o
0 2 -25 49.93 12.23 44.83 o
0 2 -23 243.37 24.58 255.59 o
0 2 -22 705.43 60.06 762.19 o
0 2 -21 140.33 14.33 135.52 o
0 2 -20 262.54 24.23 41.42 o
0 2 -19 7311.62 372.55 6824.08 o
0 2 -18 496.69 44.37 395.59 o
0 2 -17 1012.19 70.28 1005.35 o
0 2 -16 1774.13 98.90 1476.08 o
0 2 -15 2815.93 159.15 2862.71 o
0 2 -14 399.90 33.71 306.61 o
0 2 -13 583.98 44.59 595.19 o
0 2 -12 521.75 41.26 574.69 o
0 2 -11 723.22 49.43 692.96 o
0 2 -10 1735.70 101.70 1830.91 o
0 2 -9 2640.10 149.87 2865.89 o
0 2 -8 187.15 15.63 143.13 o
0 2 -7 8.82 11.84 13.94 o
0 2 -6 174.64 15.46 192.45 o
0 2 -5 34484.32 1688.34 33167.27 o
0 2 -4 1393.97 84.07 1606.44 o
0 2 -3 18978.80 959.44 19092.44 o
0 2 -2 42.16 5.17 10.30 o
0 2 -1 9.11 11.82 21.90 o
0 2 0 14362.45 783.28 16150.37 o
0 2 1 43.46 4.85 21.90 o
0 2 2 40.57 5.20 10.30 o
0 2 3 18405.59 949.62 19092.44 o
0 2 4 1332.25 82.81 1606.43 o
0 2 5 33721.47 1675.26 33167.27 o
0 2 6 183.46 20.31 192.45 o
0 2 8 219.66 19.52 143.13 o
0 2 9 2668.23 150.44 2865.89 o
0 2 10 1853.68 103.54 1830.91 o
0 2 11 772.21 48.77 692.96 o
0 2 12 543.48 40.90 574.69 o
0 2 13 565.75 45.24 595.19 o
0 2 14 349.39 33.39 306.61 o
0 2 15 2781.11 159.01 2862.69 o
0 2 16 1615.29 98.55 1476.07 o
0 2 17 997.40 70.84 1005.35 o
0 2 18 411.11 36.51 395.58 o
0 2 19 6980.57 367.58 6824.10 o
0 2 20 12.11 41.54 41.43 o
0 2 21 141.05 14.69 135.52 o
0 2 22 712.08 61.33 762.19 o
0 2 23 247.24 26.02 255.59 o
0 2 24 52.93 11.68 46.34 o
0 2 25 57.20 12.18 44.83 o
0 2 26 358.97 36.98 382.33 o
0 2 28 37.39 33.58 82.82 o
0 3 -27 269.12 25.92 234.59 o
0 3 -26 710.06 70.36 732.36 o
0 3 -23 484.33 50.91 475.02 o
0 3 -22 724.01 64.62 727.77 o
0 3 -21 438.55 47.97 425.73 o
0 3 -20 925.48 73.03 996.08 o
0 3 -18 152.91 14.96 135.05 o
0 3 -17 414.62 42.13 407.49 o
0 3 -16 5054.50 276.76 5163.64 o
0 3 -15 244.82 23.92 226.87 o
0 3 -14 749.61 54.31 719.13 o
0 3 -13 50.15 8.45 38.98 o
0 3 -12 3393.62 182.93 3302.96 o
0 3 -11 1645.34 97.07 1623.43 o
0 3 -9 1129.95 74.69 1260.48 o
0 3 -8 10577.10 548.10 10773.86 o
0 3 -7 6619.94 347.58 6751.21 o
0 3 -6 7416.41 385.55 7514.44 o
0 3 -5 3027.31 158.97 2928.04 o
0 3 -4 2859.28 151.79 2797.11 o
0 3 -3 2432.88 136.54 2592.46 o
0 3 -2 79.37 8.07 65.85 o
0 3 -1 419.82 32.25 449.23 o
0 3 1 407.35 31.87 449.23 o
0 3 2 70.58 7.52 65.84 o
0 3 3 2325.67 134.55 2592.46 o
0 3 4 2925.85 152.57 2797.11 o
0 3 5 3082.01 159.99 2928.04 o
0 3 6 7443.31 385.58 7514.42 o
0 3 7 6809.11 350.44 6751.22 o
0 3 8 10754.24 550.85 10773.87 o
0 3 9 1286.91 77.50 1260.49 o
0 3 10 9.87 16.63 0.68 o
0 3 11 1657.05 96.52 1623.44 o
0 3 12 3364.29 182.38 3302.95 o
0 3 13 6.51 18.71 38.99 o
0 3 14 816.83 56.59 719.12 o
0 3 15 263.66 24.39 226.87 o
0 3 16 5318.27 282.07 5163.64 o
0 3 17 399.72 43.54 407.49 o
0 3 18 138.52 14.95 135.05 o
0 3 20 1017.90 74.95 996.08 o
0 3 21 418.81 36.23 425.73 o
0 3 22 767.37 65.77 727.77 o
0 3 23 426.19 40.29 475.02 o
0 3 24 27.41 18.79 13.46 o
0 3 25 21.88 20.46 21.52 o
0 3 26 813.61 71.70 732.36 o
0 3 27 244.75 25.16 234.59 o
0 4 -26 12.66 32.44 11.72 o
0 4 -25 104.89 16.53 78.55 o
0 4 -24 1335.36 102.68 1383.24 o
0 4 -23 329.94 31.60 354.37 o
0 4 -22 278.63 31.12 304.70 o
0 4 -21 30.91 27.80 42.83 o
0 4 -20 191.63 19.32 206.32 o
0 4 -19 133.42 14.01 126.56 o
0 4 -18 215.14 24.25 230.42 o
0 4 -17 13.70 24.61 26.60 o
0 4 -16 407.57 39.79 355.68 o
0 4 -15 108.15 11.91 93.43 o
0 4 -14 1312.04 88.24 1425.31 o
0 4 -13 1232.02 78.95 1111.32 o
0 4 -12 155.26 16.12 129.01 o
0 4 -11 801.46 56.07 748.78 o
0 4 -10 5712.71 312.00 5991.88 o
0 4 -9 2359.45 137.10 2427.23 o
0 4 -8 1885.64 110.33 1890.19 o
0 4 -7 2977.30 168.70 3125.79 o
0 4 -6 403.19 33.74 353.94 o
0 4 -5 89.09 9.69 80.38 o
0 4 -4 3263.81 174.31 3177.32 o
0 4 -3 1810.87 100.04 1658.00 o
0 4 -2 784.07 54.01 818.47 o
0 4 -1 282.68 29.33 286.24 o
0 4 0 5438.60 294.81 5746.85 o
0 4 1 257.87 22.42 286.24 o
0 4 2 721.66 52.51 818.47 o
0 4 3 1770.12 98.73 1658.00 o
0 4 4 3180.61 172.95 3177.32 o
0 4 5 101.06 10.36 80.38 o
0 4 6 354.74 33.21 353.94 o
0 4 7 2807.80 165.69 3125.77 o
0 4 8 1959.69 111.26 1890.19 o
0 4 9 2308.68 135.97 2427.22 o
0 4 10 5763.22 312.38 5991.89 o
0 4 11 799.94 56.79 748.78 o
0 4 12 123.01 13.23 129.01 o
0 4 13 1189.43 77.18 1111.33 o
0 4 14 1314.64 90.04 1425.32 o
0 4 15 93.14 11.64 93.44 o
0 4 16 352.82 29.97 355.67 o
0 4 17 46.21 9.58 26.60 o
0 4 18 224.75 25.16 230.43 o
0 4 19 146.22 15.86 126.57 o
0 4 20 240.37 23.50 206.32 o
0 4 21 4.34 30.19 42.83 o
0 4 22 248.69 26.53 304.71 o
0 4 23 445.13 37.89 354.37 o
0 4 24 1385.77 103.14 1383.24 o
0 4 25 96.65 18.43 78.55 o
0 4 26 32.61 30.35 11.72 o
0 5 -23 38.62 28.69 32.47 o
0 5 -22 79.69 15.27 86.22 o
0 5 -21 346.97 37.85 358.07 o
0 5 -20 15.84 30.59 56.68 o
0 5 -17 19.16 21.38 11.21 o
0 5 -16 96.87 12.35 94.66 o
0 5 -15 22.38 20.13 20.00 o
0 5 -14 22.09 9.61 30.69 o
0 5 -13 374.55 39.88 365.67 o
0 5 -12 789.35 60.51 782.62 o
0 5 -11 2358.69 140.17 2365.74 o
0 5 -10 27.77 9.69 12.46 o
0 5 -9 646.10 55.36 662.82 o
0 5 -8 817.63 62.34 871.23 o
0 5 -7 717.22 55.82 727.63 o
0 5 -6 70.69 10.81 101.48 o
0 5 -5 219.47 21.71 192.46 o
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0 5 3 3338.88 193.69 3657.56 o
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0 5 5 209.78 21.45 192.46 o
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0 5 11 2304.45 138.61 2365.74 o
0 5 12 789.39 61.57 782.62 o
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0 5 14 37.31 9.69 30.69 o
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0 6 -18 100.99 18.15 122.68 o
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0 6 -13 8.42 32.65 62.51 o
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0 6 -11 35.83 10.74 35.55 o
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0 6 -9 629.54 55.33 671.30 o
0 6 -8 116.54 13.99 127.54 o
0 6 -7 146.51 15.98 148.07 o
0 6 -6 59.19 10.68 58.99 o
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0 6 -3 534.26 49.46 536.59 o
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0 6 0 124.85 13.60 162.10 o
0 6 1 651.63 54.95 642.43 o
0 6 2 2.78 18.40 2.26 o
0 6 3 587.66 48.64 536.59 o
0 6 4 30.91 8.59 3.73 o
0 6 5 1227.97 83.98 1281.46 o
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0 6 7 125.76 14.23 148.08 o
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0 6 9 575.55 56.04 671.30 o
0 6 10 205.05 20.46 196.53 o
0 6 11 40.71 10.54 35.55 o
0 6 12 24.66 26.69 34.44 o
0 6 13 64.22 13.08 62.51 o
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0 6 15 1777.10 116.58 1697.37 o
0 6 16 476.92 41.94 442.97 o
0 6 18 56.26 39.23 122.67 o
0 6 19 1685.04 114.99 1661.12 o
0 6 20 291.10 28.68 308.08 o
0 7 -16 731.90 75.83 796.20 o
0 7 -14 68.37 14.33 63.89 o
0 7 -13 17.50 27.05 1.57 o
0 7 -12 1294.54 98.44 1316.93 o
0 7 -11 8.28 29.91 17.86 o
0 7 -10 18.55 20.11 1.92 o
0 7 -9 603.50 62.87 682.82 o
0 7 -8 1523.63 109.23 1703.72 o
0 7 -7 28.49 19.97 9.85 o
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0 7 -5 1324.37 91.94 1253.95 o
0 7 -4 17.21 21.66 1.38 o
0 7 -3 175.62 18.83 120.96 o
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0 7 -1 271.79 29.74 332.31 o
0 7 2 202.91 19.44 179.69 o
0 7 3 121.92 15.05 120.96 o
0 7 5 1174.61 89.14 1253.95 o
0 7 6 234.34 24.41 214.16 o
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0 8 -6 1.08 19.38 2.04 o
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0 8 -4 258.71 26.11 243.93 o
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0 8 -1 28.53 21.23 70.97 o
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1 1 -29 13.45 31.39 7.32 o
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1 2 -25 131.11 17.94 149.43 o
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