#------------------------------------------------------------------------------
#$Date: 2018-12-07 05:36:04 +0200 (Fri, 07 Dec 2018) $
#$Revision: 212435 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/83/2108336.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_2108336
_cell_angle_alpha                90
_cell_angle_beta                 107.1883(16)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.8423(7)
_cell_length_b                   7.0971(4)
_cell_length_c                   12.6239(7)
_cell_volume                     1099.19(11)
_cod_data_source_file            dk5074csup3.hkl
_cod_data_source_block           c
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 3973.33 4205.96 39.53 o
3 0 0 6765.88 6857.98 60.23 o
4 0 0 6572.05 6913.69 68.51 o
5 0 0 7467.97 7697.06 76.79 o
6 0 0 3197.20 3410.54 46.30 o
7 0 0 1163.92 1145.88 19.95 o
8 0 0 1464.98 1536.25 28.61 o
9 0 0 413.90 390.74 20.70 o
10 0 0 173.41 184.46 19.20 o
11 0 0 299.80 389.61 30.87 o
12 0 0 715.27 834.57 51.95 o
13 0 0 388.13 371.17 39.53 o
14 0 0 1554.37 1664.99 73.41 o
15 0 0 132.27 207.04 68.89 o
16 0 0 593.77 438.18 77.17 o
17 0 0 1165.81 1106.73 82.44 o
1 1 0 880.07 962.93 5.27 o
2 1 0 5939.03 6040.35 34.26 o
3 1 0 2770.24 3035.98 18.82 o
4 1 0 4910.65 4947.92 27.10 o
5 1 0 3831.80 3972.19 23.34 o
6 1 0 289.56 316.59 6.40 o
7 1 0 5950.93 6067.45 34.26 o
8 1 0 3444.52 3486.21 22.96 o
9 1 0 6372.44 6388.56 44.42 o
10 1 0 4207.09 4255.65 35.01 o
11 1 0 2268.26 2226.64 26.35 o
12 1 0 2442.98 2469.07 38.77 o
13 1 0 1305.19 1292.32 29.36 o
14 1 0 1342.00 1299.85 33.88 o
15 1 0 227.21 204.78 32.00 o
16 1 0 326.06 339.92 30.49 o
17 1 0 646.74 577.46 44.80 o
0 2 0 21928.00 20905.60 134.76 o
1 2 0 1894.58 2022.61 11.29 o
2 2 0 3155.34 3239.64 16.56 o
3 2 0 796.17 835.70 7.15 o
4 2 0 2223.79 2361.41 15.43 o
5 2 0 570.03 583.48 9.03 o
6 2 0 813.32 803.32 9.79 o
7 2 0 694.62 692.65 9.41 o
8 2 0 250.52 270.66 9.03 o
9 2 0 1419.98 1387.93 18.45 o
10 2 0 180.89 168.27 10.92 o
11 2 0 796.69 773.96 24.09 o
12 2 0 152.62 126.11 15.81 o
13 2 0 138.65 121.59 17.69 o
14 2 0 167.86 192.36 20.33 o
15 2 0 98.26 41.41 23.34 <
16 2 0 268.79 289.86 28.99 o
17 2 0 95.44 85.08 32.75 <
1 3 0 0.03 0.38 2.64 <
2 3 0 435.78 422.74 5.65 o
3 3 0 3.06 0.00 3.76 <
4 3 0 103.64 120.46 4.14 o
5 3 0 714.45 698.67 8.66 o
6 3 0 877.91 891.03 12.05 o
7 3 0 17.53 21.08 5.27 o
8 3 0 6.40 18.45 7.15 <
9 3 0 1679.64 1635.63 20.33 o
10 3 0 319.94 303.03 14.68 o
11 3 0 35.94 39.90 13.18 o
12 3 0 13.78 23.72 16.94 <
13 3 0 20.74 14.68 19.57 <
14 3 0 16.29 -21.46 25.60 <
15 3 0 28.99 26.73 29.36 <
16 3 0 46.57 94.11 33.50 <
0 4 0 357.16 364.77 9.03 o
1 4 0 1902.67 1875.05 13.18 o
2 4 0 999.61 1009.99 8.66 o
3 4 0 545.10 549.98 7.53 o
4 4 0 822.06 844.73 9.41 o
5 4 0 144.22 151.33 5.65 o
6 4 0 644.21 630.16 11.29 o
7 4 0 44.83 49.31 8.28 o
8 4 0 196.24 197.63 11.67 o
9 4 0 1.19 -9.41 10.92 <
10 4 0 222.00 216.83 13.55 o
11 4 0 190.98 194.62 17.32 o
12 4 0 666.28 624.51 30.49 o
13 4 0 190.57 180.32 26.73 o
14 4 0 179.43 182.20 39.15 o
15 4 0 85.86 149.07 32.75 o
16 4 0 40.37 119.33 42.16 <
1 5 0 42.73 40.28 4.89 o
2 5 0 131.01 125.35 6.02 o
3 5 0 466.21 450.22 10.92 o
4 5 0 2215.22 2218.36 20.33 o
5 5 0 1284.85 1213.26 16.56 o
6 5 0 451.98 419.35 13.18 o
7 5 0 1698.32 1677.04 18.82 o
8 5 0 1209.88 1176.37 21.83 o
9 5 0 437.92 385.85 19.95 o
10 5 0 2649.86 2638.09 35.76 o
11 5 0 359.94 354.61 20.33 o
12 5 0 1518.73 1538.51 38.02 o
13 5 0 559.63 561.65 44.04 o
14 5 0 204.32 264.64 33.50 o
15 5 0 304.63 306.42 37.64 o
0 6 0 455.79 440.43 15.43 o
1 6 0 2921.45 2956.18 23.34 o
2 6 0 4014.24 4051.62 30.12 o
3 6 0 3239.63 3216.68 26.35 o
4 6 0 213.17 210.43 11.29 o
5 6 0 1456.29 1493.71 20.70 o
6 6 0 374.46 374.18 15.43 o
7 6 0 361.62 360.25 15.81 o
8 6 0 116.69 100.51 12.05 o
9 6 0 198.29 213.82 16.19 o
10 6 0 7.92 6.78 18.07 <
11 6 0 12.62 12.80 25.22 <
12 6 0 128.73 62.87 25.97 <
13 6 0 147.57 137.40 31.24 o
14 6 0 270.00 333.90 37.64 o
1 7 0 218.29 211.18 10.92 o
2 7 0 97.68 102.39 10.54 o
3 7 0 1333.96 1330.34 21.83 o
4 7 0 194.17 196.50 12.42 o
5 7 0 395.53 401.66 16.19 o
6 7 0 954.35 953.52 24.47 o
7 7 0 787.60 819.13 26.35 o
8 7 0 335.03 345.57 17.69 o
9 7 0 557.89 524.00 32.75 o
10 7 0 654.64 627.90 31.24 o
11 7 0 618.69 645.22 35.01 o
12 7 0 714.75 778.85 43.29 o
0 8 0 30.26 18.45 18.82 <
1 8 0 513.95 568.05 22.21 o
2 8 0 327.08 357.99 15.81 o
3 8 0 632.07 659.52 24.47 o
4 8 0 262.15 309.06 18.82 o
5 8 0 78.39 116.32 17.69 o
6 8 0 59.82 47.05 22.21 <
7 8 0 277.48 318.47 19.95 o
8 8 0 39.57 38.77 19.57 <
9 8 0 178.33 166.01 20.70 o
10 8 0 6.36 28.61 25.22 <
1 9 0 4.09 21.46 16.56 <
2 9 0 49.06 70.02 16.94 o
3 9 0 6.83 4.89 21.83 <
4 9 0 10.64 32.75 22.21 <
5 9 0 15.68 56.84 23.34 <
6 9 0 55.96 50.07 22.21 <
7 9 0 229.30 266.52 22.96 o
8 9 0 1.72 13.55 22.59 <
0 10 0 1.85 115.19 43.67 <
1 10 0 100.47 79.43 22.96 o
2 10 0 23.11 48.56 23.34 <
-17 1 1 300.63 254.47 39.90 o
-16 1 1 311.60 301.53 24.09 o
-15 1 1 181.23 152.83 20.33 o
-14 1 1 763.85 819.89 29.36 o
-13 1 1 276.93 292.49 18.45 o
-12 1 1 205.50 189.73 15.43 o
-11 1 1 601.14 601.55 18.07 o
-10 1 1 1296.16 1316.79 18.82 o
-9 1 1 93.71 87.33 6.78 o
-8 1 1 104.22 102.39 5.65 o
-7 1 1 60.40 56.09 4.14 o
-6 1 1 372.42 378.32 7.53 o
-5 1 1 1263.01 1250.91 9.03 o
-4 1 1 70.64 71.15 3.01 o
-3 1 1 266.61 284.21 4.89 o
-2 1 1 3176.73 3221.57 16.19 o
-1 1 1 991.97 1037.09 6.40 o
0 1 1 256.00 226.24 3.01 o
1 1 1 6128.91 6333.22 30.12 o
2 1 1 2678.01 2850.78 16.19 o
3 1 1 7350.77 7579.99 42.16 o
4 1 1 2940.00 3036.36 17.32 o
5 1 1 451.93 464.53 6.40 o
6 1 1 3073.03 3192.58 20.70 o
7 1 1 1191.14 1214.02 10.54 o
8 1 1 1461.29 1404.87 13.93 o
9 1 1 66.39 75.66 7.91 o
10 1 1 456.68 449.47 16.56 o
11 1 1 228.09 215.70 13.93 o
12 1 1 152.10 127.24 14.68 o
13 1 1 14.38 -1.13 16.19 <
14 1 1 131.32 125.35 19.57 o
15 1 1 220.44 251.46 27.86 o
16 1 1 36.73 70.39 35.01 <
17 1 1 6.79 36.14 40.66 <
-17 2 1 51.18 -30.87 29.36 <
-16 2 1 9.18 13.55 27.10 <
-15 2 1 340.51 320.73 28.99 o
-14 2 1 4.61 8.66 20.33 <
-13 2 1 322.70 308.30 19.20 o
-12 2 1 14.93 23.34 13.55 <
-11 2 1 2392.62 2406.20 32.37 o
-10 2 1 1795.97 1819.33 24.47 o
-9 2 1 2850.35 2795.06 23.34 o
-8 2 1 3509.31 3616.45 24.84 o
-7 2 1 2482.20 2540.97 17.32 o
-6 2 1 9765.29 9839.38 52.70 o
-5 2 1 9362.58 9673.37 55.71 o
-4 2 1 2782.10 2905.36 17.69 o
-3 2 1 3879.75 4036.56 21.83 o
-2 2 1 2053.31 2272.94 11.67 o
-1 2 1 1134.39 1219.66 8.66 o
0 2 1 37911.40 36786.40 178.81 o
1 2 1 87.07 98.25 3.01 o
2 2 1 266.06 284.59 4.52 o
3 2 1 245.38 222.10 4.89 o
4 2 1 842.71 857.53 8.66 o
5 2 1 614.60 578.96 9.41 o
6 2 1 961.35 983.26 10.16 o
7 2 1 430.12 435.92 8.66 o
8 2 1 1969.10 2006.42 19.20 o
9 2 1 1786.45 1790.72 21.08 o
10 2 1 147.45 127.24 12.05 o
11 2 1 1828.24 1889.73 28.23 o
12 2 1 2168.53 2192.01 35.01 o
13 2 1 1586.78 1548.30 38.02 o
14 2 1 1585.15 1645.42 37.64 o
15 2 1 787.92 854.14 35.01 o
16 2 1 533.35 446.08 33.88 o
-17 3 1 562.28 591.76 55.34 o
-16 3 1 941.91 962.18 47.43 o
-15 3 1 1280.74 1335.23 47.81 o
-14 3 1 970.87 1011.87 38.40 o
-13 3 1 1476.45 1510.65 37.27 o
-12 3 1 1792.15 1850.58 33.13 o
-11 3 1 457.40 429.14 20.70 o
-10 3 1 3176.76 3232.11 37.64 o
-9 3 1 1209.29 1150.40 17.32 o
-8 3 1 231.48 230.01 8.66 o
-7 3 1 686.20 698.29 10.16 o
-6 3 1 1373.03 1440.63 12.80 o
-5 3 1 39.90 40.28 4.52 o
-4 3 1 370.95 385.47 6.78 o
-3 3 1 3260.93 3329.23 20.33 o
-2 3 1 927.10 1009.99 7.53 o
-1 3 1 6684.77 7058.99 33.13 o
0 3 1 451.23 486.74 5.65 o
1 3 1 7732.61 7978.26 36.51 o
2 3 1 10438.70 10867.80 53.08 o
3 3 1 6078.54 6332.47 34.26 o
4 3 1 14662.00 14745.90 74.16 o
5 3 1 5602.22 5610.08 35.01 o
6 3 1 2459.32 2524.78 18.82 o
7 3 1 5285.90 5350.33 35.76 o
8 3 1 2671.45 2620.77 25.22 o
9 3 1 978.53 974.98 21.46 o
10 3 1 1972.08 1967.65 29.36 o
11 3 1 297.57 288.73 17.32 o
12 3 1 946.37 971.21 31.62 o
13 3 1 68.41 70.39 22.21 o
14 3 1 13.94 90.35 43.67 <
15 3 1 16.44 124.98 30.49 o
16 3 1 133.02 147.94 35.39 o
-16 4 1 25.61 3.76 34.63 <
-15 4 1 59.25 67.76 35.76 <
-14 4 1 142.65 127.24 38.40 o
-13 4 1 272.29 323.74 27.10 o
-12 4 1 472.08 503.30 31.24 o
-11 4 1 771.99 772.83 24.47 o
-10 4 1 626.47 635.43 20.70 o
-9 4 1 3122.66 3112.03 30.12 o
-8 4 1 3102.50 3132.35 30.87 o
-7 4 1 2179.09 2167.16 20.33 o
-6 4 1 5341.38 5387.98 35.76 o
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-3 4 1 2388.06 2409.97 13.93 o
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-1 4 1 2496.95 2586.89 17.32 o
0 4 1 739.65 738.20 8.28 o
1 4 1 2167.47 2178.83 12.80 o
2 4 1 1104.33 1093.18 9.41 o
3 4 1 801.76 791.65 9.41 o
4 4 1 34.88 30.12 4.52 o
5 4 1 352.05 339.55 9.03 o
6 4 1 1022.53 1035.96 14.68 o
7 4 1 87.54 64.37 8.66 o
8 4 1 1313.37 1277.64 21.08 o
9 4 1 91.09 68.51 11.67 o
10 4 1 1503.41 1444.40 27.10 o
11 4 1 2108.00 2146.46 38.77 o
12 4 1 294.89 268.78 22.21 o
13 4 1 1226.47 1309.26 42.16 o
14 4 1 1062.59 1225.31 52.70 o
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-15 5 1 86.61 115.94 36.14 o
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-13 5 1 308.55 308.68 39.90 o
-12 5 1 526.63 519.49 26.35 o
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-10 5 1 10.89 -17.69 14.68 <
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-8 5 1 1.02 -6.02 10.16 <
-7 5 1 87.43 94.11 10.54 o
-6 5 1 241.21 262.00 9.79 o
-5 5 1 8.87 14.30 7.91 <
-4 5 1 706.41 728.03 12.80 o
-3 5 1 11.96 3.01 5.65 <
-2 5 1 958.04 972.34 10.54 o
-1 5 1 277.97 287.98 7.91 o
0 5 1 944.98 916.63 9.79 o
1 5 1 1706.58 1725.60 13.55 o
2 5 1 243.55 260.12 8.28 o
3 5 1 2858.12 2854.92 24.84 o
4 5 1 1219.45 1239.24 16.56 o
5 5 1 920.33 924.16 14.68 o
6 5 1 1604.55 1632.99 18.45 o
7 5 1 306.30 297.39 11.67 o
8 5 1 547.40 508.57 21.83 o
9 5 1 581.56 535.30 25.97 o
10 5 1 138.31 115.94 16.94 o
11 5 1 595.39 612.84 29.36 o
12 5 1 55.78 92.23 25.97 o
13 5 1 73.77 105.78 35.76 <
14 5 1 7.71 59.48 37.64 <
-14 6 1 49.28 11.29 35.01 <
-13 6 1 29.84 67.76 33.13 <
-12 6 1 16.55 -27.10 23.34 <
-11 6 1 42.15 24.47 19.95 <
-10 6 1 1.07 5.65 16.19 <
-9 6 1 32.93 24.47 12.42 <
-8 6 1 215.96 233.02 13.55 o
-7 6 1 4.85 13.18 11.29 <
-6 6 1 2.81 -9.41 10.54 <
-5 6 1 400.60 388.49 14.68 o
-4 6 1 12.71 9.03 9.03 <
-3 6 1 96.45 108.42 8.28 o
-2 6 1 99.41 107.29 8.66 o
-1 6 1 5.46 10.16 7.53 <
0 6 1 9.40 22.96 7.15 o
1 6 1 3.62 15.06 7.15 <
2 6 1 0.34 2.26 7.15 <
3 6 1 252.73 273.30 10.54 o
4 6 1 0.65 1.88 9.79 <
5 6 1 27.60 39.53 10.92 o
6 6 1 84.17 96.37 11.29 o
7 6 1 310.21 281.58 14.30 o
8 6 1 10.20 4.14 12.80 <
9 6 1 3.48 -13.93 15.43 <
10 6 1 96.22 79.43 19.57 o
11 6 1 41.25 50.07 21.08 <
12 6 1 64.86 38.77 25.97 <
13 6 1 40.11 117.45 32.75 o
-12 7 1 64.55 59.85 27.86 <
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-10 7 1 27.40 16.94 16.19 <
-9 7 1 145.23 134.76 16.94 o
-8 7 1 161.17 156.98 14.68 o
-7 7 1 110.49 142.67 15.06 o
-6 7 1 13.96 35.39 13.18 <
-5 7 1 16.76 28.23 11.67 <
-4 7 1 1.61 16.56 12.05 <
-3 7 1 6.79 -2.26 11.29 <
-2 7 1 27.06 29.36 10.16 <
-1 7 1 40.02 35.76 10.54 o
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1 7 1 103.51 86.58 10.16 o
2 7 1 96.24 76.42 10.16 o
3 7 1 136.31 112.56 12.05 o
4 7 1 368.74 380.96 17.32 o
5 7 1 600.24 560.90 22.59 o
6 7 1 20.35 51.95 13.93 o
7 7 1 50.15 39.53 15.06 <
8 7 1 47.52 31.62 14.68 <
9 7 1 108.00 108.04 19.20 o
10 7 1 10.45 21.46 21.46 <
11 7 1 14.78 64.37 24.84 <
12 7 1 2.78 24.47 28.99 <
-11 8 1 41.32 -23.72 33.88 <
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-9 8 1 121.86 95.24 19.57 o
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-7 8 1 591.64 575.20 29.36 o
-6 8 1 273.11 270.66 22.59 o
-5 8 1 163.43 169.02 16.56 o
-4 8 1 271.04 263.13 17.32 o
-3 8 1 434.87 466.79 20.33 o
-2 8 1 551.30 539.06 21.08 o
-1 8 1 178.43 175.42 14.68 o
0 8 1 27.32 17.32 13.55 <
1 8 1 280.63 300.77 15.81 o
2 8 1 199.57 205.16 15.06 o
3 8 1 130.59 131.75 16.19 o
4 8 1 457.94 516.10 23.72 o
5 8 1 108.23 119.33 18.07 o
6 8 1 126.50 145.68 31.62 o
7 8 1 300.61 283.46 20.33 o
8 8 1 17.53 29.36 19.57 <
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10 8 1 226.52 205.16 25.60 o
-8 9 1 2.36 100.13 25.60 o
-7 9 1 5.12 42.16 22.59 <
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-3 9 1 12.64 33.50 22.21 <
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-1 9 1 114.78 121.21 21.08 o
0 9 1 342.63 319.22 22.21 o
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6 9 1 169.21 215.70 22.59 o
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13 0 2 1261.64 1263.33 68.89 o
14 0 2 737.33 644.46 67.76 o
15 0 2 819.16 903.08 76.79 o
16 0 2 137.51 61.36 52.33 <
-17 1 2 85.52 119.33 29.74 o
-16 1 2 441.21 453.23 24.84 o
-15 1 2 616.59 698.67 29.36 o
-14 1 2 102.56 112.93 17.69 o
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-11 1 2 203.34 204.41 11.29 o
-10 1 2 80.47 82.82 9.03 o
-9 1 2 2376.34 2367.80 19.20 o
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-7 1 2 2494.41 2525.16 18.45 o
-6 1 2 709.75 761.16 8.66 o
-5 1 2 9252.29 9396.68 51.20 o
-4 1 2 7253.00 7226.13 38.02 o
-3 1 2 15215.30 15208.90 79.81 o
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-1 1 2 19133.50 18397.00 89.59 o
0 1 2 1444.28 1346.90 8.28 o
1 1 2 17528.70 17025.20 71.52 o
2 1 2 3984.38 4256.03 23.72 o
3 1 2 7403.00 7493.78 38.40 o
4 1 2 5587.37 5729.41 31.24 o
5 1 2 441.12 448.34 9.79 o
6 1 2 4269.14 4354.65 26.73 o
7 1 2 303.36 303.41 8.28 o
8 1 2 220.23 220.59 9.41 o
9 1 2 2189.14 2133.28 22.96 o
10 1 2 21.84 39.15 10.54 o
11 1 2 242.17 211.93 19.20 o
12 1 2 234.38 226.24 16.56 o
13 1 2 540.30 555.25 26.35 o
14 1 2 328.96 321.86 21.08 o
15 1 2 965.98 1100.71 49.69 o
16 1 2 833.98 766.43 62.87 o
-17 2 2 229.47 199.14 31.62 o
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