#------------------------------------------------------------------------------
#$Date: 2017-07-29 08:51:22 +0300 (Sat, 29 Jul 2017) $
#$Revision: 199402 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/81/2108141.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_2108141
_cell_angle_alpha                90.000
_cell_angle_beta                 109.223
_cell_angle_gamma                90.000
_cell_length_a                   12.6314
_cell_length_b                   7.5996
_cell_length_c                   16.1088
_exptl_crystal_F_000             744.00
_reflns_d_resolution_high        0.7990
_cod_data_source_file            lc5089structure3sup4.hkl
_cod_data_source_block           structure3
_shelx_title                     ' '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            200.19
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 4323.71 2700.69 52.20 o
3 0 0 25042.97 28777.11 334.60 o
4 0 0 27637.22 27053.10 349.64 o
5 0 0 1491.60 1274.28 37.98 o
6 0 0 6855.94 7525.98 113.59 o
7 0 0 349.00 205.29 29.20 o
8 0 0 4240.36 3422.07 83.29 o
9 0 0 1196.07 1625.92 64.60 o
10 0 0 80.69 54.12 37.39 o
11 0 0 815.64 793.04 59.22 o
12 0 0 249.23 218.60 60.43 o
13 0 0 2.07 17.09 40.63 o
14 0 0 312.96 483.21 112.57 o
1 1 0 894.97 1130.00 29.63 o
2 1 0 365.15 275.77 19.49 o
3 1 0 9081.25 9864.12 112.96 o
4 1 0 12155.47 11862.19 135.19 o
5 1 0 1536.36 1925.97 38.74 o
6 1 0 732.69 966.92 28.90 o
7 1 0 167.63 187.22 20.02 o
8 1 0 1590.44 1492.33 47.55 o
9 1 0 119.32 127.11 23.61 o
10 1 0 60.46 76.54 23.96 o
11 1 0 22.23 23.83 29.44 o
12 1 0 6.62 4.62 28.44 o
13 1 0 2.93 15.05 28.88 o
14 1 0 1.24 25.76 41.65 o
1 2 0 640.09 791.21 42.19 o
2 2 0 4726.16 4731.14 75.07 o
3 2 0 9140.11 8931.24 115.63 o
4 2 0 429.27 362.57 27.18 o
5 2 0 6694.37 7514.61 108.65 o
6 2 0 4516.68 4078.10 76.12 o
7 2 0 183.85 312.85 30.86 o
8 2 0 1120.05 1149.66 51.20 o
9 2 0 1021.14 1009.77 46.63 o
10 2 0 79.70 51.23 27.50 o
11 2 0 551.11 578.72 46.59 o
12 2 0 2.59 24.76 32.24 o
13 2 0 249.69 216.38 41.05 o
14 2 0 404.64 250.51 59.45 o
1 3 0 186.47 324.78 46.56 o
2 3 0 141.53 158.21 23.29 o
3 3 0 193.56 183.21 21.72 o
4 3 0 1724.14 1774.54 45.47 o
5 3 0 300.67 356.13 30.11 o
6 3 0 5.58 -21.92 21.92 o
7 3 0 216.55 306.22 33.95 o
8 3 0 678.56 644.14 43.72 o
9 3 0 229.98 168.32 33.57 o
10 3 0 0.20 12.65 28.28 o
11 3 0 23.71 14.54 33.86 o
12 3 0 3.61 -31.88 34.25 o
13 3 0 76.97 112.28 39.24 o
14 3 0 3.00 46.85 52.94 o
1 4 0 2209.17 2159.99 75.19 o
2 4 0 1903.33 1774.00 64.82 o
3 4 0 9191.60 9520.27 144.35 o
4 4 0 1041.50 1071.34 47.47 o
5 4 0 1838.63 1902.96 54.68 o
6 4 0 2125.34 2049.56 60.82 o
7 4 0 9.31 39.32 28.35 o
8 4 0 1977.16 2208.15 66.79 o
9 4 0 1610.86 1742.11 65.12 o
10 4 0 4.67 6.57 33.12 o
11 4 0 1376.98 1365.04 72.31 o
12 4 0 986.19 912.13 72.57 o
13 4 0 46.43 63.00 49.39 o
1 5 0 70.19 112.36 49.57 o
2 5 0 44.72 125.02 34.54 o
3 5 0 19.37 8.06 28.31 o
4 5 0 120.23 79.54 32.15 o
5 5 0 1429.07 1452.84 66.73 o
6 5 0 775.72 894.38 57.82 o
7 5 0 6.73 39.87 33.74 o
8 5 0 611.63 545.05 54.83 o
9 5 0 906.67 830.89 62.79 o
10 5 0 763.77 784.18 60.93 o
11 5 0 9.65 107.73 41.53 o
12 5 0 184.27 164.41 52.54 o
0 6 0 1506.96 1777.66 147.05 o
1 6 0 62.16 39.69 52.05 o
2 6 0 3351.15 3189.90 115.13 o
3 6 0 1181.33 1316.95 63.71 o
4 6 0 26.78 -4.75 34.36 o
5 6 0 2005.68 2003.08 82.94 o
6 6 0 2468.30 2365.51 81.42 o
7 6 0 1.78 -16.84 49.10 o
8 6 0 511.11 489.23 59.29 o
9 6 0 124.58 156.76 46.67 o
10 6 0 182.86 134.24 65.08 o
11 6 0 95.69 53.70 49.83 o
1 7 0 193.63 116.79 57.45 o
2 7 0 34.03 -3.02 38.24 o
3 7 0 243.75 237.81 43.14 o
4 7 0 303.78 263.00 50.04 o
5 7 0 770.44 733.16 63.29 o
6 7 0 36.40 55.11 51.49 o
7 7 0 146.34 156.51 44.74 o
8 7 0 127.19 45.81 40.63 o
9 7 0 4.49 90.17 54.29 o
10 7 0 14.32 49.65 84.38 o
0 8 0 1910.61 1545.79 154.58 o
1 8 0 1127.83 1354.67 184.31 o
2 8 0 384.23 180.41 71.58 o
3 8 0 1403.98 1488.14 95.10 o
4 8 0 22.30 60.58 40.54 o
5 8 0 804.25 766.43 81.32 o
6 8 0 701.36 693.07 108.31 o
7 8 0 43.06 -13.09 53.73 o
8 8 0 603.71 501.75 128.42 o
1 9 0 12.22 118.11 93.54 o
2 9 0 0.35 88.39 110.98 o
3 9 0 0.79 -78.08 100.28 o
4 9 0 37.55 101.07 71.42 o
-15 1 1 93.00 210.89 55.62 o
-14 1 1 17.37 34.60 47.04 o
-13 1 1 533.97 511.82 54.67 o
-12 1 1 172.38 155.73 33.31 o
-11 1 1 400.93 471.13 41.97 o
-10 1 1 2246.84 2140.15 55.28 o
-9 1 1 38.71 33.46 15.86 o
-8 1 1 4080.47 4326.24 68.42 o
-7 1 1 12482.75 11970.27 119.13 o
-6 1 1 771.94 934.82 31.77 o
-5 1 1 7982.19 8148.00 96.49 o
-4 1 1 19752.38 18607.84 198.95 o
-3 1 1 6195.93 6781.66 84.45 o
-2 1 1 22226.44 20977.42 213.68 o
-1 1 1 6374.80 6943.33 160.52 o
0 1 1 166.85 246.00 12.25 o
1 1 1 8624.65 8752.80 129.55 o
2 1 1 2362.39 2283.89 45.60 o
3 1 1 52.56 43.39 16.77 o
4 1 1 2818.33 2309.45 38.71 o
5 1 1 129.44 159.94 16.99 o
6 1 1 4802.98 4726.79 62.72 o
7 1 1 1829.27 1408.97 36.90 o
8 1 1 44.47 39.83 17.25 o
9 1 1 1203.00 1217.62 43.40 o
10 1 1 185.25 193.01 27.14 o
11 1 1 160.05 141.18 29.91 o
12 1 1 622.86 623.41 44.16 o
13 1 1 10.41 -12.02 29.10 o
14 1 1 175.18 138.50 45.07 o
-14 2 1 63.59 71.44 57.70 o
-13 2 1 4.26 -33.27 33.27 o
-12 2 1 155.14 135.72 37.45 o
-11 2 1 471.15 437.23 39.62 o
-10 2 1 227.53 194.70 29.49 o
-9 2 1 23.22 10.27 23.72 o
-8 2 1 159.97 180.72 29.51 o
-7 2 1 840.39 873.22 41.72 o
-6 2 1 1752.36 2055.28 50.48 o
-5 2 1 79.20 277.89 25.05 o
-4 2 1 2879.02 3598.23 60.57 o
-3 2 1 3.38 95.57 18.17 o
-2 2 1 362.17 304.31 24.10 o
-1 2 1 26.75 50.38 23.15 o
0 2 1 1143.66 1388.83 83.63 o
1 2 1 2026.70 1583.98 42.79 o
2 2 1 0.72 42.87 16.15 o
3 2 1 77.92 62.84 18.79 o
4 2 1 1019.92 951.37 34.68 o
5 2 1 209.21 165.35 22.79 o
6 2 1 211.61 290.99 28.33 o
7 2 1 140.60 106.96 25.61 o
8 2 1 127.42 180.33 27.25 o
9 2 1 273.42 219.66 29.45 o
10 2 1 56.78 42.70 27.49 o
11 2 1 1.74 -13.00 27.52 o
12 2 1 0.06 0.73 31.93 o
13 2 1 2.54 2.64 37.30 o
14 2 1 71.26 112.68 54.05 o
-14 3 1 53.48 106.68 77.36 o
-13 3 1 1042.19 1113.44 67.71 o
-12 3 1 367.81 419.50 58.99 o
-11 3 1 291.09 327.58 48.12 o
-10 3 1 1617.14 1730.77 80.09 o
-9 3 1 743.66 722.26 55.50 o
-8 3 1 250.68 168.22 34.61 o
-7 3 1 1396.92 1618.98 56.74 o
-6 3 1 223.02 243.36 29.21 o
-5 3 1 2591.76 2455.63 55.77 o
-4 3 1 5238.43 5296.19 81.45 o
-3 3 1 90.78 71.68 17.34 o
-2 3 1 5780.15 5701.44 91.59 o
-1 3 1 3958.08 3941.78 122.56 o
1 3 1 5584.70 5242.98 125.66 o
2 3 1 4173.61 4625.12 79.88 o
3 3 1 2767.90 2991.34 59.34 o
4 3 1 4528.78 4442.95 79.42 o
5 3 1 643.30 677.15 37.93 o
6 3 1 1438.57 1267.53 48.10 o
7 3 1 3026.46 3487.90 74.44 o
8 3 1 5.11 36.87 28.75 o
9 3 1 1256.06 1272.48 57.79 o
10 3 1 1351.99 1458.20 66.80 o
11 3 1 6.76 6.28 33.54 o
12 3 1 650.08 725.60 80.36 o
13 3 1 116.53 123.17 41.19 o
-13 4 1 172.51 221.88 52.85 o
-12 4 1 4.57 33.06 47.29 o
-11 4 1 0.37 -34.33 38.96 o
-10 4 1 72.53 57.68 34.37 o
-9 4 1 80.11 81.43 34.41 o
-8 4 1 75.76 81.68 34.79 o
-7 4 1 16.26 18.32 29.36 o
-6 4 1 155.26 102.57 31.16 o
-5 4 1 158.54 126.21 29.30 o
-4 4 1 280.52 341.53 34.02 o
-3 4 1 248.46 268.62 33.60 o
-2 4 1 30.83 15.90 31.07 o
-1 4 1 179.81 273.61 32.68 o
0 4 1 163.34 59.06 54.30 o
1 4 1 286.05 473.58 46.13 o
2 4 1 560.89 760.60 51.15 o
3 4 1 9.14 22.77 26.46 o
4 4 1 344.28 382.76 32.36 o
5 4 1 157.45 225.24 33.65 o
6 4 1 36.28 -6.41 26.86 o
7 4 1 39.81 27.71 30.92 o
8 4 1 490.98 505.40 58.00 o
9 4 1 224.12 168.91 34.70 o
10 4 1 196.27 128.78 39.76 o
11 4 1 85.03 32.48 42.02 o
12 4 1 80.04 123.37 52.33 o
13 4 1 58.33 47.98 53.82 o
-12 5 1 156.52 167.99 46.82 o
-11 5 1 252.19 332.39 53.83 o
-10 5 1 1605.01 1514.43 76.49 o
-9 5 1 895.66 926.19 59.15 o
-8 5 1 325.14 374.62 43.62 o
-7 5 1 1960.42 2084.46 65.66 o
-6 5 1 173.79 154.43 33.06 o
-5 5 1 493.09 575.40 50.44 o
-4 5 1 2450.53 2332.93 84.49 o
-3 5 1 14.20 -2.03 26.79 o
-2 5 1 1640.19 1509.69 64.70 o
-1 5 1 1212.20 1205.25 85.87 o
0 5 1 741.28 684.51 101.86 o
1 5 1 3198.32 3184.11 200.36 o
2 5 1 610.75 682.83 63.49 o
3 5 1 2008.97 1854.92 61.90 o
4 5 1 4046.27 3961.11 91.90 o
5 5 1 808.58 909.82 69.04 o
6 5 1 157.76 197.27 37.07 o
7 5 1 505.20 519.66 45.88 o
8 5 1 3.19 -8.37 35.02 o
9 5 1 377.22 312.82 46.30 o
10 5 1 53.20 88.01 53.26 o
11 5 1 190.06 272.86 50.91 o
12 5 1 249.13 309.70 55.29 o
-11 6 1 11.95 58.04 48.68 o
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-8 6 1 17.52 21.93 36.68 o
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-5 6 1 65.91 100.80 35.77 o
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0 6 1 0.39 51.13 67.78 o
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7 6 1 171.44 116.16 39.79 o
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10 6 1 7.21 57.01 45.88 o
11 6 1 97.07 208.94 60.76 o
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-6 7 1 133.52 69.30 44.83 o
-5 7 1 3001.00 2842.56 97.75 o
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-3 7 1 705.76 645.90 62.62 o
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-1 7 1 3843.73 3959.70 165.02 o
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2 7 1 966.86 937.97 80.90 o
3 7 1 248.03 213.04 52.02 o
4 7 1 1007.28 1112.90 83.84 o
5 7 1 1.39 -28.13 38.27 o
6 7 1 791.79 777.36 69.33 o
7 7 1 583.87 631.46 66.83 o
8 7 1 130.40 123.73 48.15 o
9 7 1 519.85 468.61 95.42 o
-8 8 1 4.60 48.97 62.75 o
-7 8 1 34.84 122.81 60.47 o
-6 8 1 30.40 46.82 68.02 o
-5 8 1 98.90 90.73 56.36 o
-4 8 1 117.28 55.39 54.85 o
-3 8 1 24.20 -15.15 39.65 o
-2 8 1 238.80 135.70 72.12 o
-1 8 1 16.83 45.98 58.86 o
0 8 1 264.61 189.25 70.55 o
1 8 1 92.47 86.44 63.76 o
2 8 1 139.46 193.73 74.68 o
3 8 1 92.09 148.32 48.60 o
4 8 1 187.46 240.73 49.57 o
5 8 1 19.04 2.59 49.70 o
6 8 1 124.67 35.05 59.02 o
7 8 1 1.63 -2.86 55.93 o
-4 9 1 214.48 168.33 133.37 o
-3 9 1 60.01 -92.75 92.75 o
-2 9 1 197.89 141.10 101.86 o
-1 9 1 18.37 -56.68 80.86 o
0 9 1 267.50 275.19 61.98 o
1 9 1 860.24 879.51 149.82 o
2 9 1 270.19 198.97 113.36 o
3 9 1 295.97 221.17 116.92 o
4 9 1 643.92 688.97 178.56 o
-15 0 2 279.82 318.27 110.58 o
-14 0 2 143.43 84.03 63.27 o
-13 0 2 18.72 69.03 41.58 o
-12 0 2 475.22 457.97 53.68 o
-11 0 2 26.81 22.11 31.72 o
-10 0 2 216.33 181.92 36.00 o
-9 0 2 3796.25 4184.68 88.45 o
-8 0 2 83.13 29.67 23.90 o
-7 0 2 7498.39 6351.67 103.55 o
-6 0 2 8144.06 8540.38 142.65 o
-5 0 2 601.47 555.45 29.59 o
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-3 0 2 53.50 75.65 18.60 o
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-1 0 2 21470.80 20459.06 385.70 o
0 0 2 531.48 674.32 21.64 o
1 0 2 9027.22 11150.13 149.38 o
2 0 2 14862.42 12429.34 142.53 o
3 0 2 102.86 179.37 18.56 o
4 0 2 1394.65 1422.40 35.91 o
5 0 2 5972.72 5360.92 96.18 o
6 0 2 3.91 44.66 21.75 o
7 0 2 4687.44 5816.45 102.94 o
8 0 2 1802.05 1427.21 55.10 o
9 0 2 3.23 -15.09 28.97 o
10 0 2 1494.76 1496.29 63.62 o
11 0 2 635.91 596.82 56.89 o
12 0 2 14.18 12.37 41.49 o
13 0 2 970.18 908.47 88.90 o
14 0 2 376.10 325.66 90.37 o
-15 1 2 1.90 -54.51 54.51 o
-14 1 2 0.15 14.06 41.33 o
-13 1 2 1.60 38.02 34.66 o
-12 1 2 1.49 14.97 31.40 o
-11 1 2 32.62 2.59 27.45 o
-10 1 2 5.71 -15.67 15.67 o
-9 1 2 8.14 19.96 15.51 o
-8 1 2 661.98 732.18 33.75 o
-7 1 2 1414.70 1475.66 33.79 o
-6 1 2 1002.90 942.58 29.82 o
-5 1 2 6.24 0.34 14.43 o
-4 1 2 1126.71 1366.34 35.26 o
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-1 1 2 1006.53 1046.14 30.69 o
0 1 2 541.87 345.50 14.38 o
1 1 2 8530.42 7493.59 73.08 o
2 1 2 5674.40 5341.35 56.14 o
3 1 2 3038.03 2889.83 38.59 o
4 1 2 526.57 586.95 23.87 o
5 1 2 330.80 299.87 21.59 o
6 1 2 5.14 9.51 14.58 o
7 1 2 123.96 152.34 20.68 o
8 1 2 173.30 157.50 22.40 o
9 1 2 1.16 2.16 17.86 o
10 1 2 71.20 126.34 24.72 o
11 1 2 2.60 33.88 35.33 o
12 1 2 48.25 53.72 29.99 o
13 1 2 19.50 -2.41 41.23 o
14 1 2 21.54 49.49 92.96 o
-15 2 2 298.46 209.14 88.19 o
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-13 2 2 0.53 -0.88 35.65 o
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11 3 2 66.41 71.69 31.40 o
12 3 2 10.20 40.06 35.11 o
13 3 2 7.67 67.01 48.08 o
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-11 4 2 49.42 42.91 40.80 o
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-8 4 2 19.98 2.09 29.72 o
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0 4 2 3273.68 3311.62 130.60 o
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1 1 14 4.02 18.05 21.17 o
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1 3 14 130.84 130.17 29.74 o
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1 1 15 2929.77 2529.70 61.35 o
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