#------------------------------------------------------------------------------
#$Date: 2016-10-26 04:26:16 +0300 (Wed, 26 Oct 2016) $
#$Revision: 187574 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/1/54/43/1544355.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_1544355
_audit_creation_date             16-07-25
_audit_creation_method           CRYSTALS
_cell_angle_alpha                90
_cell_angle_beta                 105.223(7)
_cell_angle_gamma                90
_cell_length_a                   13.1921(9)
_cell_length_b                   7.5999(5)
_cell_length_c                   15.2507(11)
_cod_data_source_file            hb4088Isup2.hkl
_cod_data_source_block           I
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
x+1/2,y+1/2,z
-x+1/2,-y+1/2,-z
-x,y,-z+1/2
x,-y,z+1/2
-x+1/2,y+1/2,-z+1/2
x+1/2,-y+1/2,z+1/2
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
_refln_refinement_weight
4 0 0 35.75 23.59 5.10 o 0.3140E-02
6 0 0 84.94 75.19 5.99 o 0.1109E-02
8 0 0 1597.73 1801.94 24.73 o 0.2197E-04
10 0 0 703.22 791.80 19.11 o 0.7431E-04
12 0 0 7123.80 7418.99 103.30 o 0.1762E-05
14 0 0 2227.30 2219.52 65.35 o 0.1397E-04
16 0 0 1789.24 1896.46 63.52 o 0.1840E-04
1 1 0 635.48 0.00 13.03 l 0.0000E+00
3 1 0 79.05 71.89 2.83 o 0.1212E-02
5 1 0 959.16 1064.55 10.87 o 0.4934E-04
7 1 0 1867.11 2005.18 15.07 o 0.1821E-04
9 1 0 2794.59 3034.46 27.88 o 0.9117E-05
11 1 0 2590.38 2819.44 26.85 o 0.1035E-04
13 1 0 294.29 261.64 13.51 o 0.2729E-03
15 1 0 141.46 147.46 10.19 o 0.5568E-03
17 1 0 26.13 34.72 12.07 o 0.2067E-02
0 2 0 10776.82 7713.71 38.83 o 0.1287E-05
2 2 0 22084.30 17967.82 40.79 o 0.2809E-06
4 2 0 3212.21 2897.96 18.39 o 0.8904E-05
6 2 0 5144.17 5746.45 23.90 o 0.2994E-05
8 2 0 31.34 29.14 3.20 o 0.3061E-02
10 2 0 4680.31 5218.95 32.35 o 0.3557E-05
12 2 0 135.13 70.67 9.77 o 0.8900E-03
14 2 0 1322.97 1223.28 31.43 o 0.3553E-04
16 2 0 25.71 0.07 9.13 o 0.5780E-02
1 3 0 1284.55 1137.81 10.95 o 0.3996E-04
3 3 0 342.82 311.04 6.49 o 0.2330E-03
5 3 0 8415.72 8748.00 29.50 o 0.1316E-05
7 3 0 147.60 182.11 4.16 o 0.4900E-03
9 3 0 1345.81 1408.38 16.52 o 0.3135E-04
11 3 0 2737.14 2795.64 32.59 o 0.1011E-04
13 3 0 5.59 0.20 3.45 o 0.3071E-01
15 3 0 92.06 89.34 9.64 o 0.9105E-03
0 4 0 2046.75 1608.77 24.68 o 0.2156E-04
2 4 0 11402.38 7884.10 41.69 o 0.1202E-05
4 4 0 117.05 79.81 3.83 o 0.9581E-03
6 4 0 296.06 298.56 6.28 o 0.2557E-03
8 4 0 668.57 731.69 12.26 o 0.8316E-04
10 4 0 59.80 72.92 4.75 o 0.1294E-02
12 4 0 209.51 246.83 13.43 o 0.3231E-03
14 4 0 42.24 29.70 7.93 o 0.2363E-02
16 4 0 177.95 304.30 37.65 o 0.2108E-03
1 5 0 851.36 640.45 11.94 o 0.8319E-04
3 5 0 1521.49 1375.08 16.64 o 0.3013E-04
5 5 0 7181.48 6460.27 40.53 o 0.2110E-05
7 5 0 1231.12 1187.54 19.70 o 0.3879E-04
9 5 0 239.05 249.33 11.01 o 0.3121E-03
11 5 0 213.99 215.04 13.62 o 0.3550E-03
13 5 0 128.86 122.38 11.36 o 0.6433E-03
0 6 0 303.47 201.12 12.83 o 0.3234E-03
2 6 0 346.81 255.79 11.93 o 0.2609E-03
4 6 0 1398.88 1108.08 19.58 o 0.3865E-04
6 6 0 4324.13 3977.24 36.17 o 0.5154E-05
8 6 0 147.02 147.59 9.63 o 0.5523E-03
10 6 0 1246.71 1256.59 30.02 o 0.3577E-04
12 6 0 1823.47 1665.99 42.30 o 0.2171E-04
1 7 0 552.83 634.25 14.52 o 0.1021E-03
3 7 0 1723.36 1744.26 23.64 o 0.2193E-04
5 7 0 448.60 426.24 17.01 o 0.1548E-03
7 7 0 135.51 147.93 10.00 o 0.5647E-03
9 7 0 10.68 3.71 5.43 o 0.1086E-01
11 7 0 23.14 32.15 4.97 o 0.3000E-02
0 8 0 3846.23 3103.42 101.63 o 0.6859E-05
2 8 0 9.49 11.65 3.78 o 0.7793E-02
4 8 0 138.17 149.83 9.61 o 0.5583E-03
6 8 0 503.70 555.31 27.37 o 0.1123E-03
8 8 0 11.50 5.24 6.18 o 0.8747E-02
10 8 0 14.97 21.03 12.17 o 0.2876E-02
1 9 0 3.28 9.24 4.70 o 0.1026E-01
3 9 0 148.18 122.60 31.05 o 0.4044E-03
5 9 0 1424.15 1149.85 68.45 o 0.3190E-04
7 9 0 175.08 328.62 31.12 o 0.2210E-03
0 10 0 200.30 311.15 36.49 o 0.2066E-03
2 10 0 907.90 783.87 79.55 o 0.4769E-04
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1 1 1 24379.01 0.00 50.09 l 0.0000E+00
3 1 1 1971.20 2289.51 13.84 o 0.1526E-04
5 1 1 2376.53 2638.20 15.45 o 0.1176E-04
7 1 1 17299.84 19496.81 51.58 o 0.2978E-06
9 1 1 247.81 251.14 7.98 o 0.3118E-03
11 1 1 162.31 135.33 7.08 o 0.5787E-03
13 1 1 644.54 633.07 17.34 o 0.9503E-04
15 1 1 52.71 54.06 6.89 o 0.1595E-02
-16 2 1 42.38 32.63 7.46 o 0.2284E-02
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-6 2 1 2035.31 2185.60 15.76 o 0.1581E-04
-4 2 1 36920.16 37264.89 59.43 o 0.7825E-07
-2 2 1 48835.69 43165.04 49.62 o 0.5349E-07
0 2 1 2430.70 1806.86 13.67 o 0.1741E-04
2 2 1 32.40 42.74 2.11 o 0.2358E-02
4 2 1 275.94 294.70 4.78 o 0.2667E-03
6 2 1 34.29 33.16 2.52 o 0.2756E-02
8 2 1 4553.43 4762.33 29.66 o 0.4047E-05
10 2 1 49.09 40.02 5.20 o 0.2048E-02
12 2 1 6826.68 6884.29 52.92 o 0.2012E-05
14 2 1 1844.44 1687.22 35.45 o 0.2155E-04
16 2 1 467.54 467.78 29.14 o 0.1308E-03
-15 3 1 356.96 303.63 15.43 o 0.2229E-03
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-11 3 1 469.34 371.49 12.67 o 0.1724E-03
-9 3 1 1873.79 2062.04 20.70 o 0.1755E-04
-7 3 1 3698.32 3681.09 25.90 o 0.6219E-05
-5 3 1 6201.94 5335.90 30.30 o 0.2915E-05
-3 3 1 334.16 291.60 4.83 o 0.2487E-03
-1 3 1 94.78 99.40 3.29 o 0.9030E-03
1 3 1 152.85 157.45 5.18 o 0.5389E-03
3 3 1 6735.34 5710.41 27.89 o 0.2550E-05
5 3 1 8633.21 9080.74 40.32 o 0.1234E-05
7 3 1 632.12 735.80 8.53 o 0.8525E-04
9 3 1 425.49 481.94 11.61 o 0.1461E-03
11 3 1 25.67 43.92 3.74 o 0.2394E-02
13 3 1 231.37 241.52 12.60 o 0.3197E-03
15 3 1 152.82 143.97 12.51 o 0.5353E-03
-16 4 1 316.32 315.77 32.12 o 0.1926E-03
-14 4 1 1816.26 1674.27 39.07 o 0.2177E-04
-12 4 1 725.69 724.46 23.50 o 0.7838E-04
-10 4 1 3297.05 3437.99 37.26 o 0.7159E-05
-8 4 1 8.39 1.10 2.53 o 0.2326E-01
-6 4 1 1235.41 1325.33 13.14 o 0.3494E-04
-4 4 1 4.20 3.01 1.38 o 0.2692E-01
-2 4 1 100.43 46.50 4.16 o 0.1388E-02
0 4 1 1431.51 1030.50 14.46 o 0.4098E-04
2 4 1 34028.41 25942.37 62.07 o 0.1305E-06
4 4 1 755.74 728.62 11.50 o 0.7913E-04
6 4 1 3853.81 4244.54 22.15 o 0.5129E-05
8 4 1 846.21 939.17 15.33 o 0.5876E-04
10 4 1 332.93 339.38 10.88 o 0.2163E-03
12 4 1 338.25 339.24 14.27 o 0.2112E-03
14 4 1 607.11 577.28 21.14 o 0.1041E-03
-13 5 1 9.96 11.85 5.90 o 0.6589E-02
-11 5 1 463.71 524.95 17.73 o 0.1280E-03
-9 5 1 1877.38 1981.36 21.83 o 0.1831E-04
-7 5 1 2597.13 2770.93 25.37 o 0.1055E-04
-5 5 1 1494.76 1355.67 23.73 o 0.3058E-04
-3 5 1 13.43 6.14 2.00 o 0.1074E-01
-1 5 1 200.08 123.18 5.36 o 0.5667E-03
1 5 1 607.00 511.00 8.01 o 0.1202E-03
3 5 1 430.06 328.54 8.74 o 0.2000E-03
5 5 1 135.06 143.94 5.58 o 0.6004E-03
7 5 1 1002.07 942.92 18.53 o 0.5374E-04
9 5 1 1532.06 1521.73 31.74 o 0.2656E-04
11 5 1 1.06 8.45 3.14 o 0.7320E-02
13 5 1 42.87 39.61 7.51 o 0.2034E-02
-12 6 1 46.88 3.06 12.45 o 0.2940E-02
-10 6 1 742.46 704.45 30.40 o 0.7722E-04
-8 6 1 38.55 47.91 5.57 o 0.1955E-02
-6 6 1 274.34 268.29 10.56 o 0.2809E-03
-4 6 1 754.15 661.45 14.09 o 0.8581E-04
-2 6 1 16.41 5.21 2.10 o 0.1025E-01
0 6 1 2583.93 1947.50 22.55 o 0.1546E-04
2 6 1 1044.08 839.22 14.71 o 0.5887E-04
4 6 1 18.67 14.61 2.27 o 0.5800E-02
6 6 1 118.54 127.44 8.03 o 0.6714E-03
8 6 1 262.07 291.43 15.05 o 0.2599E-03
10 6 1 1.94 3.92 3.41 o 0.2203E-01
12 6 1 427.73 444.29 25.63 o 0.1446E-03
-11 7 1 42.91 38.02 6.21 o 0.2163E-02
-9 7 1 1814.02 1826.44 45.72 o 0.1971E-04
-7 7 1 2086.23 2097.70 42.85 o 0.1591E-04
-5 7 1 168.96 168.03 10.89 o 0.4736E-03
-3 7 1 4.99 7.13 2.34 o 0.1386E-01
-1 7 1 46.43 58.32 3.89 o 0.1658E-02
1 7 1 2350.18 2278.40 29.32 o 0.1384E-04
3 7 1 0.95 0.08 1.94 o 0.2244E+00
5 7 1 138.99 144.35 8.84 o 0.5769E-03
7 7 1 2172.45 2080.34 33.08 o 0.1589E-04
9 7 1 529.28 580.93 21.63 o 0.1093E-03
11 7 1 30.19 47.53 7.43 o 0.1991E-02
-10 8 1 104.10 115.72 15.91 o 0.6573E-03
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0 8 1 4813.74 3615.53 95.26 o 0.5120E-05
2 8 1 2340.93 2024.49 63.83 o 0.1496E-04
4 8 1 327.51 330.35 16.27 o 0.2154E-03
6 8 1 3.51 7.29 2.84 o 0.1414E-01
8 8 1 694.06 712.08 23.65 o 0.8110E-04
10 8 1 557.51 871.83 40.25 o 0.6744E-04
-9 9 1 6.07 16.52 15.36 o 0.1320E-02
-7 9 1 318.38 458.07 48.60 o 0.1229E-03
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1 9 1 143.38 135.84 15.26 o 0.5453E-03
3 9 1 11.51 14.27 6.99 o 0.5309E-02
5 9 1 11.46 33.32 6.01 o 0.3215E-02
7 9 1 186.41 321.79 37.05 o 0.2033E-03
-2 10 1 36.78 62.98 11.65 o 0.1384E-02
0 10 1 12.61 37.38 6.61 o 0.2840E-02
2 10 1 163.87 210.46 23.03 o 0.3466E-03
-16 0 2 2388.73 2296.40 71.77 o 0.1285E-04
-14 0 2 4.65 2.71 5.99 o 0.1414E-01
-12 0 2 762.52 824.82 21.63 o 0.6860E-04
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2 0 2 6797.96 7775.89 58.63 o 0.1728E-05
4 0 2 19583.87 21458.20 64.76 o 0.2429E-06
6 0 2 1384.49 1518.94 22.76 o 0.2837E-04
8 0 2 17326.31 18963.39 64.17 o 0.3086E-06
10 0 2 4231.24 4737.52 91.70 o 0.4115E-05
12 0 2 2307.95 2285.23 62.55 o 0.1337E-04
14 0 2 672.39 636.07 32.34 o 0.8685E-04
16 0 2 26.13 32.47 9.22 o 0.2458E-02
-17 1 2 543.31 469.32 35.04 o 0.1174E-03
-15 1 2 343.56 187.06 20.78 o 0.2927E-03
-13 1 2 381.86 333.61 13.47 o 0.2045E-03
-11 1 2 7.48 0.25 2.82 o 0.2817E-01
-9 1 2 198.13 121.27 6.63 o 0.5698E-03
-7 1 2 8025.02 8128.84 29.31 o 0.1486E-05
-5 1 2 5291.27 5853.86 22.59 o 0.2879E-05
-3 1 2 20753.12 22598.75 40.15 o 0.2189E-06
-1 1 2 17354.24 0.00 73.33 l 0.0000E+00
1 1 2 4925.34 5118.38 18.03 o 0.3548E-05
3 1 2 5355.70 5835.43 18.94 o 0.2872E-05
5 1 2 119.27 155.25 4.06 o 0.5952E-03
7 1 2 8.59 12.94 1.82 o 0.8116E-02
9 1 2 3270.95 3365.41 25.89 o 0.7412E-05
11 1 2 657.90 704.70 17.05 o 0.8567E-04
13 1 2 4.86 9.73 3.57 o 0.1031E-01
15 1 2 27.17 0.74 6.24 o 0.7225E-02
-16 2 2 1114.76 1092.21 31.30 o 0.4310E-04
-14 2 2 976.21 897.98 22.99 o 0.5636E-04
-12 2 2 239.04 106.71 9.90 o 0.5376E-03
-10 2 2 1665.85 1853.90 19.92 o 0.2096E-04
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4 2 2 182.55 166.98 3.71 o 0.4858E-03
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8 2 2 631.24 683.46 10.77 o 0.9108E-04
10 2 2 2325.30 2747.66 24.34 o 0.1129E-04
12 2 2 122.73 126.59 8.92 o 0.6602E-03
14 2 2 1200.62 1099.47 27.99 o 0.4163E-04
16 2 2 24.10 36.16 14.88 o 0.1778E-02
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-7 3 2 3954.52 4033.48 25.11 o 0.5370E-05
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-3 3 2 2009.53 1941.95 12.81 o 0.1815E-04
-1 3 2 126.30 89.52 3.98 o 0.8619E-03
1 3 2 115.85 109.66 3.17 o 0.7837E-03
3 3 2 12595.29 11765.17 36.19 o 0.7004E-06
5 3 2 2583.82 2747.75 16.68 o 0.1073E-04
7 3 2 71.59 90.44 3.40 o 0.1059E-02
9 3 2 3396.99 3689.36 32.92 o 0.6492E-05
11 3 2 208.55 235.19 11.24 o 0.3420E-03
13 3 2 298.18 287.99 15.33 o 0.2495E-03
15 3 2 44.34 27.46 12.06 o 0.2012E-02
-16 4 2 76.74 59.99 25.23 o 0.7395E-03
-14 4 2 978.90 787.44 31.98 o 0.6126E-04
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