#------------------------------------------------------------------------------
#$Date: 2016-07-13 04:28:23 +0300 (Wed, 13 Jul 2016) $
#$Revision: 184420 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/17/2241765.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_2241765
_cell_angle_alpha                90.000
_cell_angle_beta                 107.749
_cell_angle_gamma                90.000
_cell_length_a                   11.1896
_cell_length_b                   12.4540
_cell_length_c                   12.5511
_exptl_crystal_F_000             1016.00
_reflns_d_resolution_high        0.8333
_cod_data_source_file            su5299IIIsup2.hkl
_cod_data_source_block           III
_shelx_title                     ' II        P 21/N       R   0.04'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            214.20
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_observed_status
2 0 0 829.50 575.80 71.04 o
4 0 0 180.32 173.49 12.97 o
6 0 0 14765.95 13859.34 1224.59 o
8 0 0 1189.09 1124.37 54.68 o
10 0 0 1462.38 1551.69 47.92 o
12 0 0 2401.61 2264.29 265.26 o
1 1 0 1633.19 1346.68 75.77 o
2 1 0 6637.50 5937.44 305.97 o
3 1 0 6434.91 6286.87 103.31 o
4 1 0 42717.50 56417.90 595.49 o
5 1 0 6334.89 5800.91 165.12 o
6 1 0 47.28 26.71 12.18 o
7 1 0 4373.19 3941.31 95.70 o
8 1 0 3731.30 3705.39 157.02 o
9 1 0 1073.10 1099.14 53.75 o
10 1 0 74.20 64.62 27.85 o
11 1 0 937.39 1162.25 44.95 o
12 1 0 10.19 -7.13 24.74 o
0 2 0 8369.70 7397.18 115.86 o
1 2 0 454.65 371.17 22.83 o
2 2 0 4144.43 3972.12 163.37 o
3 2 0 271.18 418.09 55.98 o
4 2 0 1463.15 1414.42 120.77 o
5 2 0 278.38 244.87 13.98 o
6 2 0 10978.32 10091.31 535.82 o
7 2 0 39.54 47.18 11.60 o
8 2 0 3995.00 3232.49 317.80 o
9 2 0 860.01 981.67 37.55 o
10 2 0 408.84 450.16 30.03 o
11 2 0 9.98 -14.52 26.92 o
12 2 0 379.65 362.03 25.05 o
3 3 0 10940.44 10055.13 484.29 o
4 3 0 12313.49 10683.92 493.91 o
5 3 0 16.05 16.20 12.52 o
6 3 0 0.17 4.68 11.25 o
7 3 0 41.85 60.94 12.12 o
8 3 0 4754.31 4112.49 350.57 o
9 3 0 11.88 20.99 30.35 o
10 3 0 1423.48 1691.94 181.52 o
11 3 0 1018.24 1114.98 185.61 o
12 3 0 123.93 127.29 26.98 o
1 4 0 4020.18 3979.04 186.64 o
2 4 0 7181.41 6684.35 165.82 o
3 4 0 8865.19 8019.47 375.37 o
4 4 0 14882.39 13088.73 635.22 o
5 4 0 2326.10 2315.52 163.12 o
6 4 0 1277.66 1270.96 85.29 o
7 4 0 4.71 16.56 10.57 o
8 4 0 7776.84 7213.75 720.23 o
9 4 0 73.34 103.85 30.17 o
10 4 0 2083.70 2298.30 248.57 o
11 4 0 186.38 185.61 24.63 o
12 4 0 5.72 -22.88 26.29 o
1 5 0 69.47 87.27 9.76 o
2 5 0 4.45 18.75 7.46 o
3 5 0 380.97 436.09 42.10 o
4 5 0 695.84 608.31 36.15 o
5 5 0 2894.63 2899.90 248.88 o
6 5 0 534.03 485.18 32.13 o
7 5 0 8737.68 8331.12 637.04 o
8 5 0 133.90 120.53 12.71 o
9 5 0 671.29 766.39 75.38 o
10 5 0 8.75 17.63 38.45 o
11 5 0 387.96 356.93 24.72 o
12 5 0 54.98 27.32 47.37 o
0 6 0 351.83 478.64 97.56 o
1 6 0 168.22 207.26 21.30 o
2 6 0 10302.35 9902.96 691.30 o
3 6 0 7465.75 7326.83 565.20 o
4 6 0 8420.69 8289.48 459.33 o
5 6 0 1702.15 1691.78 127.29 o
6 6 0 2691.76 2507.37 174.93 o
7 6 0 1762.98 1820.88 136.97 o
8 6 0 254.81 256.25 33.06 o
9 6 0 150.96 178.88 28.33 o
10 6 0 1386.51 1557.77 100.36 o
11 6 0 192.69 161.21 22.54 o
1 7 0 2668.31 2329.80 294.66 o
2 7 0 13123.09 11172.82 542.35 o
3 7 0 4046.50 3789.46 499.31 o
4 7 0 1492.77 1433.10 71.41 o
5 7 0 1091.19 1038.27 85.44 o
6 7 0 0.43 12.19 11.15 o
7 7 0 307.55 262.77 31.09 o
8 7 0 249.50 262.82 32.26 o
9 7 0 368.97 390.89 58.65 o
10 7 0 1227.20 1414.46 50.33 o
11 7 0 213.42 142.90 25.47 o
0 8 0 3045.15 3333.04 1139.84 o
1 8 0 111.79 155.88 24.36 o
2 8 0 26.76 42.19 7.13 o
3 8 0 17.71 39.76 10.33 o
4 8 0 2676.76 2645.45 144.44 o
5 8 0 0.68 5.99 10.95 o
6 8 0 3555.53 3760.98 290.69 o
7 8 0 47.95 57.43 11.26 o
8 8 0 180.72 222.87 17.37 o
9 8 0 2.72 40.00 24.73 o
10 8 0 277.48 227.56 39.03 o
1 9 0 1688.23 1580.47 213.44 o
2 9 0 8.02 6.77 6.97 o
3 9 0 1377.86 1411.25 78.79 o
4 9 0 1350.16 1331.87 94.00 o
5 9 0 75.64 63.74 10.20 o
6 9 0 688.40 671.37 54.00 o
7 9 0 215.17 226.80 30.05 o
8 9 0 497.55 574.67 51.03 o
9 9 0 122.20 88.18 38.87 o
10 9 0 50.48 38.83 25.19 o
0 10 0 8614.21 9256.07 1657.95 o
1 10 0 237.73 207.60 23.21 o
2 10 0 344.17 396.72 37.71 o
3 10 0 1044.29 1078.84 120.10 o
4 10 0 31.09 33.78 10.25 o
5 10 0 197.89 202.03 14.46 o
6 10 0 1459.29 1432.45 139.34 o
7 10 0 0.41 4.65 11.23 o
8 10 0 4.24 -11.26 15.23 o
9 10 0 20.80 13.04 23.22 o
1 11 0 82.66 105.78 13.57 o
2 11 0 286.22 282.87 22.35 o
3 11 0 745.95 766.04 53.87 o
4 11 0 869.20 966.80 83.81 o
5 11 0 570.36 564.20 48.03 o
6 11 0 1.26 -4.11 9.02 o
7 11 0 836.27 889.88 68.05 o
8 11 0 46.53 40.47 22.33 o
0 12 0 13.42 20.27 13.18 o
1 12 0 66.47 70.00 8.54 o
2 12 0 410.53 425.45 31.55 o
3 12 0 178.46 202.79 18.10 o
4 12 0 160.25 168.64 14.52 o
5 12 0 112.65 98.79 9.96 o
6 12 0 136.29 108.60 13.55 o
7 12 0 0.04 6.01 13.93 o
1 13 0 277.64 305.99 24.77 o
2 13 0 24.47 45.60 11.02 o
3 13 0 344.80 378.53 47.07 o
4 13 0 69.98 71.96 11.81 o
5 13 0 5.01 9.95 12.31 o
6 13 0 52.68 35.20 17.24 o
0 14 0 12.17 6.59 14.45 o
1 14 0 12.11 4.35 8.43 o
2 14 0 40.74 31.69 9.06 o
3 14 0 1.40 4.33 10.24 o
4 14 0 369.28 249.64 20.91 o
-11 0 1 147.52 176.27 35.91 o
-9 0 1 3915.30 4541.88 70.64 o
-7 0 1 51.85 24.19 20.12 o
-5 0 1 1536.19 1318.98 47.94 o
1 0 1 3633.96 3771.45 444.04 o
5 0 1 7326.02 6617.23 513.64 o
7 0 1 7285.87 6241.04 508.56 o
9 0 1 866.05 979.11 48.05 o
11 0 1 458.73 591.46 39.24 o
-12 1 1 864.97 865.82 55.43 o
-11 1 1 302.61 394.45 26.52 o
-10 1 1 270.37 336.60 36.64 o
-9 1 1 2049.46 2249.10 44.21 o
-8 1 1 5575.25 5221.49 86.15 o
-7 1 1 624.20 550.81 18.04 o
-6 1 1 15627.25 15528.25 418.22 o
-5 1 1 698.56 793.67 52.23 o
-4 1 1 134.97 125.53 17.88 o
-3 1 1 1206.07 1113.98 77.85 o
-2 1 1 4498.42 3974.57 229.51 o
-1 1 1 7596.79 5567.26 627.15 o
1 1 1 78.40 141.14 5.26 o
2 1 1 3442.98 3710.69 101.37 o
3 1 1 23223.97 28178.33 302.83 o
4 1 1 15185.43 15956.33 321.71 o
5 1 1 645.24 727.99 16.73 o
6 1 1 11379.18 10506.45 349.90 o
7 1 1 2617.18 2281.64 138.40 o
8 1 1 15.85 1.47 32.37 o
9 1 1 19.09 -10.14 32.54 o
10 1 1 2090.27 2388.10 75.68 o
11 1 1 775.80 1018.86 30.83 o
-12 2 1 871.17 849.38 37.30 o
-11 2 1 115.85 136.94 26.97 o
-10 2 1 417.37 536.91 30.19 o
-9 2 1 2715.60 2369.45 304.33 o
-8 2 1 297.89 298.03 20.21 o
-7 2 1 5864.60 5851.90 337.57 o
-6 2 1 6364.32 6284.52 334.11 o
-5 2 1 5064.77 5113.75 305.61 o
-4 2 1 427.32 368.08 25.39 o
-3 2 1 9825.03 8776.51 515.17 o
-1 2 1 5978.81 4658.63 1188.39 o
0 2 1 7866.41 6035.69 200.71 o
1 2 1 8515.57 7598.05 73.22 o
2 2 1 953.07 814.76 53.32 o
3 2 1 3440.74 2864.85 310.78 o
4 2 1 2460.78 2359.96 83.96 o
5 2 1 3398.03 3146.73 76.12 o
6 2 1 7758.66 6851.27 254.29 o
7 2 1 3075.40 3119.17 228.81 o
8 2 1 55.97 42.03 31.42 o
9 2 1 2396.07 2461.75 167.58 o
10 2 1 813.26 940.81 67.07 o
11 2 1 1369.89 1521.15 33.17 o
12 2 1 12.34 7.32 50.37 o
-12 3 1 705.17 668.73 30.70 o
-11 3 1 155.57 169.64 27.32 o
-10 3 1 1526.03 1805.90 113.68 o
-9 3 1 7.37 11.26 18.65 o
-8 3 1 145.67 174.57 12.84 o
-7 3 1 5204.22 5307.09 280.55 o
-6 3 1 1015.38 979.05 65.24 o
-5 3 1 4566.86 4120.32 369.02 o
-4 3 1 6621.88 5688.28 423.81 o
-3 3 1 8247.47 6930.26 255.44 o
-2 3 1 1476.49 1121.82 60.32 o
0 3 1 16978.12 13832.76 274.71 o
1 3 1 271.28 273.35 15.34 o
3 3 1 4503.62 4236.58 474.41 o
4 3 1 1047.13 1017.47 80.25 o
5 3 1 12690.25 12635.07 769.45 o
6 3 1 54.40 50.84 10.87 o
7 3 1 32.83 17.55 13.52 o
8 3 1 38.30 38.94 23.60 o
9 3 1 1258.38 1368.17 129.21 o
10 3 1 265.38 284.16 30.81 o
11 3 1 243.88 213.94 43.69 o
12 3 1 296.56 213.47 49.71 o
-12 4 1 11.42 13.58 21.27 o
-11 4 1 1833.54 2165.66 212.41 o
-10 4 1 381.84 395.15 30.68 o
-9 4 1 57.53 45.06 18.40 o
-8 4 1 930.39 958.08 58.00 o
-7 4 1 1462.49 1402.25 85.29 o
-6 4 1 780.07 737.37 34.49 o
-5 4 1 10289.69 9295.73 941.02 o
-4 4 1 5230.00 6003.11 1445.53 o
-3 4 1 1749.21 1497.61 78.86 o
-2 4 1 1200.53 1136.04 90.24 o
-1 4 1 5714.53 5068.23 183.87 o
0 4 1 8620.26 8857.58 345.58 o
2 4 1 1757.59 1564.77 93.52 o
3 4 1 10.54 42.10 13.37 o
4 4 1 14076.37 12491.14 1095.26 o
5 4 1 2707.10 2696.72 175.93 o
6 4 1 354.04 316.53 21.04 o
7 4 1 9985.71 9187.88 781.03 o
8 4 1 1.51 -4.66 21.45 o
9 4 1 90.98 99.33 28.85 o
10 4 1 2.80 46.79 28.07 o
11 4 1 268.42 262.90 24.35 o
12 4 1 366.55 171.41 50.29 o
-12 5 1 42.48 4.28 24.48 o
-11 5 1 12.73 1.46 22.64 o
-10 5 1 1650.39 1977.30 204.92 o
-9 5 1 132.07 79.60 17.36 o
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-5 5 1 1.36 -0.25 11.42 o
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3 5 1 62.46 55.93 6.85 o
4 5 1 98.89 116.89 11.34 o
5 5 1 52.23 50.99 9.40 o
6 5 1 1350.57 1204.54 78.60 o
7 5 1 614.24 564.54 59.70 o
8 5 1 7211.53 8065.35 523.48 o
9 5 1 135.35 154.86 28.84 o
10 5 1 1308.42 1330.56 87.81 o
11 5 1 158.24 154.76 29.14 o
-11 6 1 982.71 1086.60 68.96 o
-10 6 1 60.90 67.53 26.93 o
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-7 6 1 70.87 71.85 12.35 o
-6 6 1 2555.74 2544.98 209.76 o
-5 6 1 2258.22 3795.45 1459.79 o
-4 6 1 279.78 288.26 17.06 o
-3 6 1 3112.90 3525.43 349.03 o
-2 6 1 1.04 9.99 7.57 o
-1 6 1 8283.05 7358.75 104.45 o
0 6 1 3112.07 2607.25 179.26 o
1 6 1 25252.74 25988.82 2033.57 o
2 6 1 1571.21 1689.96 176.20 o
3 6 1 2465.10 2609.51 187.16 o
4 6 1 6553.17 6320.72 412.94 o
5 6 1 136.87 120.80 10.92 o
6 6 1 209.76 200.51 12.09 o
7 6 1 3999.53 3741.52 298.76 o
8 6 1 714.68 693.50 65.60 o
9 6 1 4.60 -14.45 28.21 o
10 6 1 9.09 26.71 23.60 o
11 6 1 157.93 102.13 26.35 o
-11 7 1 1.17 -21.53 24.80 o
-10 7 1 97.61 153.44 25.76 o
-9 7 1 52.83 63.62 18.27 o
-8 7 1 1111.94 1136.80 85.44 o
-7 7 1 2572.17 2676.83 182.08 o
-6 7 1 28.18 41.08 12.11 o
-5 7 1 2732.43 2870.55 208.28 o
-4 7 1 2118.57 1925.08 105.64 o
-3 7 1 3139.62 2620.12 228.17 o
-2 7 1 1689.44 1475.65 160.37 o
-1 7 1 2178.03 1988.77 288.42 o
0 7 1 4667.54 4219.19 589.45 o
1 7 1 3258.82 3025.04 368.89 o
2 7 1 2657.16 2477.19 266.90 o
3 7 1 18.07 25.94 7.93 o
4 7 1 4550.00 4276.07 251.63 o
5 7 1 9404.77 10026.66 890.65 o
6 7 1 147.98 139.06 27.17 o
7 7 1 656.39 602.43 80.45 o
8 7 1 533.86 523.69 46.81 o
9 7 1 1314.60 1429.73 55.01 o
10 7 1 181.65 128.20 29.12 o
-11 8 1 4.17 12.56 27.20 o
-10 8 1 0.25 -13.16 21.61 o
-9 8 1 1415.44 1584.15 331.19 o
-8 8 1 254.41 226.13 29.99 o
-7 8 1 2535.07 2596.67 216.99 o
-6 8 1 1021.55 1052.13 95.67 o
-5 8 1 3883.11 4034.26 279.01 o
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-3 8 1 4629.07 4044.33 349.84 o
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-1 8 1 583.34 890.46 131.11 o
0 8 1 766.83 812.35 143.93 o
1 8 1 2492.97 2516.56 310.96 o
2 8 1 23.96 44.46 13.34 o
3 8 1 1590.36 1444.71 143.92 o
4 8 1 1845.98 1764.94 132.14 o
5 8 1 26.11 15.59 16.87 o
6 8 1 187.62 179.36 18.68 o
7 8 1 784.04 719.21 72.27 o
8 8 1 457.79 511.23 29.53 o
9 8 1 1958.13 2056.13 100.85 o
10 8 1 64.97 84.61 25.89 o
-10 9 1 11.30 -9.96 20.79 o
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-8 9 1 1058.68 1059.28 152.70 o
-7 9 1 50.66 54.81 11.51 o
-6 9 1 302.52 352.29 55.60 o
-5 9 1 0.08 -1.48 10.82 o
-4 9 1 339.55 305.93 16.07 o
-3 9 1 409.23 386.68 31.15 o
-2 9 1 2389.59 2247.58 233.35 o
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0 9 1 4864.72 4585.51 652.98 o
1 9 1 139.19 142.07 13.47 o
2 9 1 31.53 33.64 7.19 o
3 9 1 893.94 900.40 76.05 o
4 9 1 1720.56 1837.06 181.33 o
5 9 1 117.60 146.41 17.32 o
6 9 1 886.48 965.85 68.06 o
7 9 1 11.18 4.44 12.26 o
8 9 1 16.39 25.73 23.67 o
9 9 1 10.00 17.66 25.87 o
-9 10 1 398.56 379.63 22.76 o
-8 10 1 76.75 107.31 25.19 o
-7 10 1 3.39 7.05 11.13 o
-6 10 1 81.29 90.53 10.60 o
-5 10 1 13.97 27.71 10.03 o
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-3 10 1 3087.37 3255.00 221.54 o
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-1 10 1 1792.82 1883.20 204.72 o
0 10 1 393.56 390.10 44.42 o
1 10 1 108.71 120.20 13.66 o
2 10 1 374.80 397.95 33.40 o
3 10 1 6171.04 6615.91 393.52 o
4 10 1 393.65 419.86 42.93 o
5 10 1 216.17 237.65 29.15 o
6 10 1 8.13 16.91 10.74 o
7 10 1 36.66 50.91 25.94 o
8 10 1 1.60 15.06 17.19 o
9 10 1 133.22 58.71 26.70 o
-8 11 1 821.28 672.99 44.99 o
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-5 11 1 1.45 3.21 9.67 o
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-3 11 1 2.23 -2.91 8.22 o
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0 11 1 465.37 544.95 52.54 o
1 11 1 6.00 12.37 6.54 o
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7 11 1 309.92 328.11 17.08 o
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-10 0 2 2123.00 2634.91 74.81 o
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-2 0 2 379.75 225.71 22.73 o
0 0 2 17348.94 14621.58 227.52 o
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4 0 2 1964.59 1735.91 151.74 o
6 0 2 3845.60 3394.32 537.13 o
8 0 2 88.08 79.58 42.82 o
10 0 2 14.01 -39.16 39.16 o
-13 1 2 2.60 -23.12 23.12 o
-12 1 2 12.54 -8.89 21.38 o
-11 1 2 72.48 69.04 25.65 o
-10 1 2 186.36 251.20 28.43 o
-9 1 2 4782.24 5384.31 121.47 o
-8 1 2 751.12 792.93 33.63 o
-7 1 2 1251.23 1367.10 46.14 o
-6 1 2 1072.16 1099.67 65.63 o
-5 1 2 17860.16 19156.89 633.28 o
-4 1 2 3264.94 2719.42 65.12 o
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-1 1 2 4113.69 3204.20 227.36 o
0 1 2 1122.95 941.66 42.51 o
1 1 2 494.19 293.20 22.95 o
2 1 2 421.35 262.55 20.24 o
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5 1 2 986.98 895.77 57.78 o
6 1 2 4592.47 4835.67 476.98 o
7 1 2 591.54 605.54 35.43 o
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1 1 13 13.03 -18.51 18.51 o
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