#------------------------------------------------------------------------------
#$Date: 2016-04-06 17:08:40 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181907 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/07/2240756.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2240756
_cell_angle_alpha                90.000
_cell_angle_beta                 103.119
_cell_angle_gamma                90.000
_cell_length_a                   15.8763
_cell_length_b                   18.5394
_cell_length_c                   10.8707
_exptl_crystal_F_000             1856.00
_reflns_d_resolution_high        0.8001
_cod_data_source_file            rz5159Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' CHI12 in C2/c No.15'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            863.09
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
4 0 0 744915.81 774910.56 9127.22 o
6 0 0 127998.37 136565.20 2327.83 o
8 0 0 282379.19 293960.28 5401.37 o
10 0 0 86968.74 93623.24 3067.99 o
12 0 0 63379.71 67720.05 2867.52 o
14 0 0 103566.70 115058.83 4208.34 o
16 0 0 14353.82 15119.53 1608.68 o
18 0 0 59371.66 71353.45 5375.23 o
3 1 0 11885.85 12474.98 250.01 o
5 1 0 212914.53 215379.11 2062.03 o
7 1 0 10808.19 10585.24 454.27 o
9 1 0 145268.81 151679.86 2708.39 o
11 1 0 441.54 470.09 146.69 o
13 1 0 87965.75 93249.52 2522.89 o
15 1 0 7696.61 6988.49 902.48 o
17 1 0 36756.64 38617.72 2216.07 o
19 1 0 10614.69 13813.01 1772.05 o
2 2 0 4504.94 4457.04 146.18 o
4 2 0 620.21 744.58 77.81 o
6 2 0 19062.06 19034.47 401.81 o
8 2 0 7291.77 7476.84 438.47 o
10 2 0 10464.96 10522.60 523.30 o
12 2 0 435.94 270.80 108.81 o
14 2 0 4148.77 4770.67 686.08 o
16 2 0 847.18 623.99 487.13 o
18 2 0 245.77 490.98 283.17 o
1 3 0 94030.62 93946.27 1846.29 o
3 3 0 2725.51 3283.51 141.09 o
5 3 0 81930.57 83362.38 1171.15 o
7 3 0 8690.43 7078.15 1357.56 o
9 3 0 61229.38 49081.22 13889.63 o
11 3 0 6294.86 4722.24 957.88 o
13 3 0 31420.04 34458.48 1779.36 o
15 3 0 189.35 215.11 251.66 o
17 3 0 20236.98 20399.67 1773.11 o
19 3 0 140.04 -503.90 503.90 o
0 4 0 222608.45 224724.45 1812.00 o
2 4 0 1231.96 1343.66 93.63 o
4 4 0 94218.45 93772.24 1112.24 o
6 4 0 15331.22 15949.82 455.49 o
8 4 0 76717.29 83840.77 3569.75 o
10 4 0 53651.83 62656.31 3419.78 o
12 4 0 31905.12 35063.16 1744.53 o
14 4 0 44928.23 47367.09 2208.29 o
16 4 0 9142.06 8820.36 1007.78 o
18 4 0 29140.67 34404.75 2210.61 o
1 5 0 107450.25 106247.04 1469.61 o
3 5 0 33961.05 33743.57 564.25 o
5 5 0 88175.33 89526.61 1297.45 o
7 5 0 14074.46 14168.14 477.68 o
9 5 0 69393.59 76986.90 3616.94 o
11 5 0 120.00 -272.72 333.84 o
13 5 0 26978.18 31431.10 1759.27 o
15 5 0 8439.23 8311.45 968.62 o
17 5 0 20927.15 21400.15 1677.47 o
0 6 0 9606.94 9404.41 333.20 o
2 6 0 73.18 82.76 36.03 o
4 6 0 8554.58 8165.69 307.82 o
6 6 0 5157.08 5205.40 335.22 o
8 6 0 14411.05 14885.23 679.52 o
10 6 0 8823.52 9399.13 1329.37 o
12 6 0 7923.23 8086.35 1354.44 o
14 6 0 12821.47 14136.45 1232.86 o
16 6 0 3228.94 2705.78 534.79 o
18 6 0 8015.93 9470.67 1300.46 o
1 7 0 13657.40 14106.14 317.33 o
3 7 0 93.46 204.94 52.84 o
5 7 0 8479.00 7953.73 374.62 o
7 7 0 13.97 -31.23 71.22 o
9 7 0 3013.00 2709.17 610.97 o
11 7 0 3625.99 2978.91 833.15 o
13 7 0 1419.78 1047.96 354.41 o
15 7 0 3044.92 3900.79 875.91 o
17 7 0 310.38 178.68 979.72 o
0 8 0 186093.62 193166.75 2279.99 o
2 8 0 2831.95 2959.49 178.97 o
4 8 0 59571.82 60655.66 1947.91 o
6 8 0 22303.05 20619.28 720.61 o
8 8 0 49617.91 49578.85 1243.32 o
10 8 0 43355.66 44667.96 2126.20 o
12 8 0 17359.29 17990.34 2033.33 o
14 8 0 36563.08 45439.57 3466.33 o
16 8 0 3023.50 3419.45 1030.68 o
18 8 0 20623.37 25598.43 1941.83 o
1 9 0 74852.42 73239.20 1180.17 o
3 9 0 27632.85 27490.54 799.95 o
5 9 0 127361.00 123386.50 3424.73 o
7 9 0 16869.69 16901.80 693.00 o
9 9 0 128596.26 127221.38 2197.56 o
11 9 0 90.26 -37.35 109.28 o
13 9 0 70094.71 73907.63 4280.32 o
15 9 0 4502.13 5898.28 1204.41 o
17 9 0 37352.43 44282.08 6066.16 o
0 10 0 189784.11 193662.78 2665.17 o
2 10 0 1420.58 1683.69 145.73 o
4 10 0 120946.24 119766.32 2986.10 o
6 10 0 8051.42 7737.71 467.16 o
8 10 0 88328.45 87597.73 1751.86 o
10 10 0 15017.04 15217.41 764.10 o
12 10 0 25281.27 26147.68 2427.66 o
14 10 0 23732.11 26936.30 2679.73 o
16 10 0 10042.05 11934.24 1274.22 o
1 11 0 355.40 464.94 85.44 o
3 11 0 1628.41 1604.34 330.08 o
5 11 0 228.44 333.21 121.98 o
7 11 0 3.35 23.31 66.38 o
9 11 0 196.10 142.79 111.93 o
11 11 0 1051.18 1129.29 264.56 o
13 11 0 1217.88 1710.31 714.92 o
15 11 0 266.65 1256.02 485.58 o
17 11 0 2306.59 3305.18 717.87 o
0 12 0 139823.09 141335.12 3934.22 o
2 12 0 1281.43 1010.33 139.52 o
4 12 0 95708.85 96255.18 2323.39 o
6 12 0 6664.67 6717.58 462.51 o
8 12 0 42683.25 41123.24 1495.14 o
10 12 0 38212.68 38683.26 1284.49 o
12 12 0 10377.30 10506.63 920.49 o
14 12 0 21480.88 23143.19 2492.06 o
16 12 0 1062.67 2348.24 1272.90 o
1 13 0 100807.38 107227.94 2349.53 o
3 13 0 39550.77 39631.72 897.35 o
5 13 0 145457.84 149841.28 3287.36 o
7 13 0 19885.16 19089.87 820.72 o
9 13 0 133046.97 134619.30 3544.69 o
11 13 0 307.27 299.14 122.18 o
13 13 0 87116.76 87278.26 2858.63 o
15 13 0 3783.16 2537.56 810.84 o
0 14 0 149473.12 151148.78 3900.00 o
2 14 0 2354.39 2095.22 230.16 o
4 14 0 88030.98 90526.06 1470.30 o
6 14 0 25520.91 25296.44 960.09 o
8 14 0 54246.61 55705.30 1865.87 o
10 14 0 28638.59 28062.61 1134.61 o
12 14 0 24418.41 23845.69 1104.26 o
14 14 0 36461.04 39219.43 3241.07 o
1 15 0 6094.84 6205.38 498.05 o
3 15 0 3997.89 3957.66 298.54 o
5 15 0 7756.99 7744.38 526.96 o
7 15 0 61.68 112.88 144.75 o
9 15 0 2737.52 2546.39 325.83 o
11 15 0 738.91 587.54 162.14 o
13 15 0 2832.93 2634.85 482.15 o
0 16 0 9392.67 9110.87 957.67 o
2 16 0 390.50 424.36 153.78 o
4 16 0 6508.00 6791.07 409.74 o
6 16 0 1607.89 1425.20 236.06 o
8 16 0 3422.78 3048.78 394.66 o
10 16 0 314.69 368.66 136.94 o
12 16 0 7366.27 6883.80 588.64 o
1 17 0 19490.65 20621.11 1058.77 o
3 17 0 4167.51 4410.48 332.26 o
5 17 0 23053.38 24820.89 823.34 o
7 17 0 1630.86 1603.45 399.81 o
9 17 0 19250.80 19678.83 969.72 o
11 17 0 21.47 -187.36 187.36 o
13 17 0 15424.74 15224.48 1217.13 o
0 18 0 29334.86 32021.89 1935.18 o
2 18 0 268.06 105.60 142.51 o
4 18 0 31347.43 31533.87 944.03 o
6 18 0 3447.03 3467.27 391.28 o
8 18 0 21422.03 20567.31 1324.46 o
10 18 0 12934.12 12839.87 995.23 o
12 18 0 13877.65 12903.62 1020.28 o
1 19 0 6813.07 7421.07 665.05 o
3 19 0 8073.85 7634.27 529.21 o
5 19 0 10984.34 11757.05 714.22 o
7 19 0 2129.34 1962.83 357.79 o
9 19 0 11960.90 11731.30 1164.50 o
11 19 0 614.13 913.58 259.05 o
0 20 0 121.13 165.23 183.46 o
2 20 0 61.73 -21.14 116.98 o
4 20 0 155.57 -125.71 165.74 o
6 20 0 14.00 -181.79 181.79 o
8 20 0 163.83 237.27 183.85 o
1 21 0 12995.21 13548.97 781.11 o
3 21 0 3827.02 2538.59 364.01 o
5 21 0 20526.16 21443.94 1285.50 o
7 21 0 2319.37 1819.56 357.10 o
0 22 0 66487.65 64553.68 3145.35 o
2 22 0 1168.70 798.31 316.02 o
4 22 0 50953.64 51658.69 2926.26 o
6 22 0 10132.78 9406.73 1259.72 o
1 23 0 17726.23 16723.93 1154.45 o
-19 1 1 11709.80 13659.88 1490.00 o
-17 1 1 764.68 444.57 155.70 o
-15 1 1 25904.45 28150.69 1307.84 o
-13 1 1 1845.60 1370.11 230.55 o
-11 1 1 45737.15 45847.05 1227.11 o
-9 1 1 32981.68 35296.13 1140.33 o
-7 1 1 139296.84 149838.59 2255.18 o
-5 1 1 91294.62 97396.60 1778.93 o
-3 1 1 55675.92 53488.83 852.76 o
1 1 1 102738.09 107552.27 1717.06 o
3 1 1 13609.03 14301.47 233.31 o
5 1 1 38210.32 38868.31 552.34 o
7 1 1 128857.02 129994.15 1739.56 o
9 1 1 2230.02 2350.26 244.03 o
11 1 1 77282.98 82601.33 2225.45 o
13 1 1 11332.71 13020.06 1382.85 o
15 1 1 41731.95 44866.67 2798.28 o
-18 2 1 10305.12 10960.39 1015.97 o
-16 2 1 50021.39 52139.43 2493.28 o
-14 2 1 42568.81 46368.51 2193.46 o
-12 2 1 50918.60 55482.08 1688.63 o
-10 2 1 73583.81 74806.55 3994.67 o
-8 2 1 34441.76 35835.45 939.34 o
-6 2 1 182456.89 187439.52 1598.99 o
-4 2 1 61.86 125.13 34.49 o
-2 2 1 237152.83 246035.22 1743.42 o
0 2 1 18389.46 19637.88 721.38 o
2 2 1 275367.66 277007.56 5621.21 o
4 2 1 46736.12 47352.26 623.96 o
6 2 1 354092.31 352109.25 2838.28 o
8 2 1 107613.97 108999.02 3247.10 o
10 2 1 90367.99 91141.97 3234.98 o
12 2 1 79537.79 83626.11 3409.83 o
14 2 1 16575.77 16887.80 1653.64 o
16 2 1 76162.80 84583.34 3248.65 o
18 2 1 1311.81 838.57 594.45 o
-19 3 1 23608.26 27302.42 1735.29 o
-17 3 1 8083.66 8276.35 968.81 o
-15 3 1 71321.00 78544.37 2957.68 o
-13 3 1 553.56 158.10 111.39 o
-11 3 1 95804.38 104384.65 2570.51 o
-9 3 1 6033.45 5739.19 474.41 o
-7 3 1 214152.25 212809.36 6505.38 o
-5 3 1 14091.11 13465.06 364.92 o
-3 3 1 146428.00 151620.45 1092.14 o
-1 3 1 283165.84 290398.97 1855.43 o
1 3 1 128526.57 129199.27 1267.04 o
3 3 1 197664.53 201907.95 2957.04 o
5 3 1 3069.99 2749.68 151.55 o
7 3 1 208029.42 213259.08 2488.13 o
9 3 1 129.26 127.49 98.53 o
11 3 1 85202.42 56152.04 24284.75 o
13 3 1 5364.50 4708.93 788.72 o
15 3 1 52126.81 55748.23 2537.41 o
17 3 1 12903.44 12624.75 1294.47 o
-18 4 1 76.94 -437.29 437.29 o
-16 4 1 8636.78 8923.00 1044.31 o
-14 4 1 1018.34 578.59 589.61 o
-12 4 1 7881.15 10222.86 1514.32 o
-10 4 1 3441.43 3334.21 772.69 o
-8 4 1 9804.05 9911.50 1188.49 o
-6 4 1 13381.82 12651.51 532.96 o
-4 4 1 38290.52 39683.63 544.63 o
-2 4 1 26731.04 27537.26 328.62 o
0 4 1 44870.18 47722.83 707.15 o
2 4 1 21408.32 21285.60 524.95 o
4 4 1 8429.64 8389.70 336.30 o
6 4 1 7188.56 6417.98 327.64 o
8 4 1 164.32 253.49 224.16 o
10 4 1 4333.38 3642.49 666.78 o
12 4 1 5116.74 5324.13 668.93 o
14 4 1 1600.52 911.71 348.31 o
16 4 1 9069.03 8383.26 1018.79 o
18 4 1 3.52 -489.98 489.98 o
-19 5 1 9216.96 10363.05 1247.77 o
-17 5 1 68.63 50.34 165.10 o
-15 5 1 18629.73 20702.25 1542.65 o
-13 5 1 6980.84 8418.64 1439.15 o
-11 5 1 16642.05 19208.89 2001.83 o
-9 5 1 14109.48 14835.68 1569.69 o
-7 5 1 12627.35 11119.43 768.40 o
-5 5 1 26086.30 27204.15 450.38 o
-3 5 1 6358.50 6155.58 188.38 o
-1 5 1 14345.11 14513.43 237.42 o
1 5 1 164.02 164.15 26.64 o
3 5 1 13790.92 13495.31 476.91 o
5 5 1 432.07 406.39 92.86 o
7 5 1 17128.48 17068.22 975.94 o
9 5 1 3669.14 3609.39 366.54 o
11 5 1 13584.80 15743.34 1324.05 o
13 5 1 864.28 548.30 348.47 o
15 5 1 7468.67 6691.63 876.85 o
17 5 1 3172.77 3147.84 1107.91 o
-18 6 1 8358.78 9048.60 1367.72 o
-16 6 1 48573.77 56052.66 2651.65 o
-14 6 1 37772.91 45199.18 3527.02 o
-12 6 1 23779.61 25630.97 2408.66 o
-10 6 1 74030.77 77839.84 3847.28 o
-8 6 1 15148.03 15076.35 738.34 o
-6 6 1 126420.61 123953.11 1398.13 o
-4 6 1 1309.81 1284.90 95.70 o
-2 6 1 166419.83 170935.03 1236.49 o
0 6 1 140.08 181.51 35.68 o
2 6 1 85732.69 84847.77 1526.63 o
4 6 1 2900.43 2867.72 228.00 o
6 6 1 69614.40 70835.64 1326.91 o
8 6 1 23836.16 22947.88 810.51 o
10 6 1 15725.87 16046.70 822.83 o
12 6 1 19673.99 22653.45 1447.48 o
14 6 1 2877.93 2612.24 584.47 o
16 6 1 33855.27 35548.63 2140.94 o
18 6 1 284.60 -481.17 481.17 o
-17 7 1 3784.79 5077.28 826.23 o
-15 7 1 85615.43 106936.98 7780.11 o
-13 7 1 674.31 484.65 263.17 o
-11 7 1 93033.45 103737.38 4712.45 o
-9 7 1 16834.78 16165.27 1620.49 o
-7 7 1 125057.77 123886.76 1630.91 o
-5 7 1 57010.18 55806.27 979.81 o
-3 7 1 50728.28 51219.20 756.60 o
-1 7 1 143892.31 144500.12 1119.36 o
1 7 1 21480.68 21087.28 427.52 o
3 7 1 112337.57 111749.24 2493.45 o
5 7 1 2776.47 2594.10 240.13 o
7 7 1 121291.24 116499.34 1869.26 o
9 7 1 1954.39 1413.32 205.55 o
11 7 1 62739.48 65962.92 1799.75 o
13 7 1 4515.71 4788.70 707.24 o
15 7 1 35786.08 39213.60 3200.73 o
17 7 1 8841.69 8041.47 1173.61 o
-18 8 1 9667.31 12553.70 1689.85 o
-16 8 1 9926.62 11302.12 1572.68 o
-14 8 1 17204.07 20162.26 2343.59 o
-12 8 1 4723.32 4705.79 1067.85 o
-10 8 1 47923.76 48975.56 3021.64 o
-8 8 1 2897.13 2901.93 225.57 o
-6 8 1 57935.21 57977.89 1221.22 o
-4 8 1 4161.99 3938.28 238.29 o
-2 8 1 97417.05 103932.47 1036.97 o
0 8 1 33126.11 33936.47 685.19 o
2 8 1 53048.90 55884.35 1283.76 o
4 8 1 59680.24 60615.32 1058.65 o
6 8 1 17484.44 16718.01 654.28 o
8 8 1 30422.91 31190.73 983.19 o
10 8 1 9256.20 8993.87 564.39 o
12 8 1 9291.52 10025.78 1001.73 o
14 8 1 1065.11 1478.81 424.46 o
16 8 1 10840.02 12255.59 1279.73 o
-17 9 1 5567.55 6875.52 989.41 o
-15 9 1 129.49 639.59 522.41 o
-13 9 1 5853.60 6717.31 1317.48 o
-11 9 1 2096.00 2862.13 756.81 o
-9 9 1 14602.79 6988.61 3933.62 o
-7 9 1 9054.89 9259.89 510.64 o
-5 9 1 4971.51 5053.96 345.69 o
-3 9 1 13009.80 12775.93 507.89 o
-1 9 1 193.59 282.47 50.08 o
1 9 1 7224.64 7406.86 307.14 o
3 9 1 158.88 110.15 52.82 o
5 9 1 7624.34 7274.24 425.45 o
7 9 1 5953.21 6452.16 438.76 o
9 9 1 501.29 304.76 123.88 o
11 9 1 1534.44 1420.56 335.40 o
13 9 1 466.87 586.43 412.99 o
15 9 1 169.78 536.26 391.32 o
17 9 1 198.23 191.01 366.22 o
-16 10 1 23931.96 26026.64 2900.41 o
-14 10 1 19744.17 21347.26 2426.17 o
-12 10 1 27129.03 29236.86 2595.97 o
-10 10 1 21785.06 21583.72 1177.84 o
-8 10 1 20481.32 20529.23 637.30 o
-6 10 1 63789.96 64418.63 1365.05 o
-4 10 1 14049.73 14333.40 581.57 o
-2 10 1 93735.87 96748.05 1104.70 o
0 10 1 1071.56 1171.35 177.13 o
2 10 1 112970.80 118027.41 4226.82 o
4 10 1 15554.98 16015.96 668.62 o
6 10 1 94453.17 94074.40 2635.21 o
8 10 1 32556.26 32257.47 1042.49 o
10 10 1 26896.39 26782.01 1348.76 o
12 10 1 37051.23 38493.07 2852.45 o
14 10 1 9390.40 10538.32 1736.27 o
16 10 1 41821.25 48439.81 4021.44 o
-17 11 1 4743.25 4730.71 1392.17 o
-15 11 1 48579.92 56646.56 4126.45 o
-13 11 1 939.42 1123.12 539.68 o
-11 11 1 75923.88 75777.75 2396.50 o
-9 11 1 19963.99 18970.76 1156.18 o
-7 11 1 142801.05 141477.66 2233.08 o
-5 11 1 51498.93 52047.12 1309.96 o
-3 11 1 142730.89 143766.31 2047.30 o
-1 11 1 182878.45 191549.42 2436.40 o
1 11 1 101097.65 105587.20 2019.46 o
3 11 1 165182.16 173366.03 6707.16 o
5 11 1 7168.82 6296.95 418.26 o
7 11 1 167175.19 167818.00 3837.28 o
9 11 1 669.84 625.92 156.98 o
11 11 1 105656.05 108573.60 2243.41 o
13 11 1 7972.09 9467.83 1212.54 o
15 11 1 73567.39 85391.57 6838.20 o
-16 12 1 18271.96 19650.20 2526.45 o
-14 12 1 7277.77 8018.32 1470.33 o
-12 12 1 27301.54 26828.51 2459.81 o
-10 12 1 21704.63 20914.89 925.96 o
-8 12 1 15393.28 15066.16 735.52 o
-6 12 1 65390.73 65801.69 1504.95 o
-4 12 1 4218.90 4097.35 264.10 o
-2 12 1 92921.45 91295.17 1163.96 o
0 12 1 1068.83 797.75 128.42 o
2 12 1 105228.09 107804.42 3099.31 o
4 12 1 18393.64 18532.63 729.12 o
6 12 1 83305.37 85075.07 2567.88 o
8 12 1 34016.23 34185.80 1121.19 o
10 12 1 37786.74 37743.39 1270.90 o
12 12 1 36486.36 36671.96 1339.61 o
14 12 1 10016.32 11792.05 1915.08 o
16 12 1 29289.85 35187.80 4130.35 o
-15 13 1 886.61 857.49 460.64 o
-13 13 1 5615.68 4129.05 1029.85 o
-11 13 1 7508.66 7990.74 764.71 o
-9 13 1 487.11 486.01 118.79 o
-7 13 1 20966.36 21229.86 857.72 o
-5 13 1 194.81 120.69 57.21 o
-3 13 1 3222.47 3011.72 229.63 o
-1 13 1 5885.87 6087.48 394.66 o
1 13 1 11458.13 11725.95 687.23 o
3 13 1 3590.98 3567.52 393.40 o
5 13 1 1545.17 1216.60 191.26 o
7 13 1 10585.10 10748.44 618.24 o
9 13 1 1719.28 1402.91 236.15 o
11 13 1 2230.72 1858.42 271.34 o
13 13 1 1210.52 1111.36 346.46 o
15 13 1 417.33 973.76 478.15 o
-14 14 1 8636.55 8339.29 1465.00 o
-12 14 1 2138.29 1798.17 386.66 o
-10 14 1 10938.60 11686.07 718.59 o
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