#------------------------------------------------------------------------------
#$Date: 2018-03-10 10:10:51 +0200 (Sat, 10 Mar 2018) $
#$Revision: 206887 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/24/2242413.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_2242413
_cell_angle_alpha                90.000
_cell_angle_beta                 128.314
_cell_angle_gamma                90.000
_cell_length_a                   13.9135
_cell_length_b                   21.9492
_cell_length_c                   6.4529
_exptl_crystal_F_000             956.00
_reflns_d_resolution_high        0.8302
_cod_data_source_file            hb77181sup2.hkl
_cod_data_source_block           1
_shelx_title                     ' ml288_2 in C m'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            455.21
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z'
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 -7 1836.36 2396.92 330.40 o
4 2 -7 5234.64 6141.56 387.18 o
4 4 -7 781.20 937.34 148.40 o
5 7 -7 530.79 725.77 214.16 o
0 0 -6 5078.58 4668.52 426.83 o
2 0 -6 5607.92 5707.12 482.41 o
6 0 -6 9036.08 8387.09 485.96 o
1 1 -6 471.74 372.43 95.55 o
3 1 -6 1464.82 1523.48 249.65 o
5 1 -6 5471.73 4779.79 364.65 o
7 1 -6 393.70 357.53 69.34 o
0 2 -6 855.58 685.15 117.24 o
2 2 -6 1344.02 1469.98 174.72 o
6 2 -6 11464.91 10984.22 329.89 o
8 2 -6 6595.73 6384.48 368.90 o
1 3 -6 3571.51 3333.66 253.38 o
3 3 -6 5383.74 5031.17 441.67 o
5 3 -6 2992.75 2892.18 197.87 o
7 3 -6 2643.65 2573.04 176.43 o
0 4 -6 2586.75 2483.80 212.97 o
2 4 -6 606.88 593.44 112.27 o
4 4 -6 2285.25 2637.50 266.08 o
6 4 -6 1439.31 1334.38 129.48 o
8 4 -6 587.31 615.98 83.82 o
1 5 -6 2960.65 3269.09 244.85 o
3 5 -6 4017.28 4109.49 340.81 o
5 5 -6 7109.02 6603.78 322.50 o
7 5 -6 11579.58 11102.61 379.12 o
2 6 -6 616.93 633.24 115.06 o
4 6 -6 2464.53 2308.04 232.99 o
6 6 -6 598.58 596.65 87.99 o
8 6 -6 390.78 359.77 63.55 o
1 7 -6 3630.73 3365.69 242.15 o
3 7 -6 7214.07 7525.02 587.06 o
5 7 -6 5204.90 4485.22 316.00 o
7 7 -6 1529.15 1453.04 125.74 o
9 7 -6 146.51 146.83 43.09 o
2 8 -6 641.79 808.77 123.60 o
4 8 -6 1227.18 1627.01 276.38 o
6 8 -6 5214.49 4725.48 233.73 o
8 8 -6 3780.59 3668.94 256.32 o
1 9 -6 541.98 501.39 156.66 o
3 9 -6 506.78 625.45 184.28 o
5 9 -6 4777.18 4330.14 222.20 o
7 9 -6 3039.52 2848.61 169.73 o
2 10 -6 3602.76 3703.85 422.65 o
4 10 -6 15696.33 16819.62 900.57 o
6 10 -6 6439.64 6296.27 260.25 o
3 11 -6 438.69 432.06 163.19 o
5 11 -6 3370.56 3752.22 410.60 o
7 11 -6 876.33 706.53 124.55 o
4 12 -6 184.11 136.50 105.30 o
3 13 -6 3456.51 3145.93 381.66 o
5 13 -6 1038.71 1065.40 228.75 o
4 14 -6 2327.74 2646.55 350.00 o
6 14 -6 278.40 299.18 129.62 o
5 15 -6 4582.71 5130.46 485.12 o
6 16 -6 543.29 573.74 182.21 o
-2 0 -5 7254.03 7306.18 482.65 o
0 0 -5 5421.44 4998.38 399.58 o
2 0 -5 14075.82 14334.72 687.59 o
4 0 -5 16536.96 17402.41 506.47 o
6 0 -5 49041.41 51365.94 988.38 o
8 0 -5 17247.35 17382.76 713.50 o
10 0 -5 34017.48 35398.38 1114.56 o
-3 1 -5 1252.94 1190.55 140.87 o
-1 1 -5 2399.72 2301.32 193.77 o
1 1 -5 1597.40 1569.99 111.12 o
3 1 -5 1036.28 1071.31 86.24 o
5 1 -5 4753.13 4951.51 174.39 o
7 1 -5 10109.13 10202.62 289.27 o
-2 2 -5 1558.44 1615.55 159.10 o
0 2 -5 11699.25 10952.70 346.06 o
2 2 -5 2534.63 2523.97 137.17 o
4 2 -5 8224.97 8564.35 238.48 o
6 2 -5 792.88 787.07 66.59 o
8 2 -5 3709.10 3823.27 220.62 o
-3 3 -5 704.98 675.95 104.39 o
-1 3 -5 681.26 681.85 85.07 o
1 3 -5 1840.33 1666.33 130.66 o
3 3 -5 3743.80 3931.39 163.21 o
5 3 -5 11980.11 12223.67 283.91 o
7 3 -5 9107.29 9893.07 276.81 o
9 3 -5 8431.22 8710.45 384.69 o
-2 4 -5 82.44 85.93 56.06 o
0 4 -5 2328.63 2093.40 142.93 o
2 4 -5 4456.84 4202.47 199.85 o
4 4 -5 8770.90 8932.70 244.38 o
6 4 -5 4276.66 4517.71 182.72 o
8 4 -5 1107.14 1116.11 118.77 o
10 4 -5 3793.09 3936.68 301.57 o
-3 5 -5 3151.53 2935.17 347.18 o
-1 5 -5 6164.37 5953.64 238.93 o
1 5 -5 21456.16 21395.47 488.46 o
3 5 -5 16553.72 16598.63 472.05 o
5 5 -5 12291.53 12548.40 289.83 o
7 5 -5 14432.53 15147.95 346.70 o
9 5 -5 11649.51 12110.60 538.99 o
-2 6 -5 135.48 174.24 63.70 o
0 6 -5 1267.05 1270.76 107.15 o
2 6 -5 2420.11 2223.72 139.99 o
4 6 -5 4582.81 4921.66 194.33 o
6 6 -5 8659.29 8915.83 260.50 o
8 6 -5 129.01 161.85 38.18 o
-1 7 -5 1745.44 1857.07 154.62 o
1 7 -5 310.79 354.32 57.81 o
3 7 -5 4405.71 4279.12 326.20 o
5 7 -5 16716.74 17293.48 636.64 o
7 7 -5 7997.26 8301.52 269.89 o
9 7 -5 11268.36 11719.59 528.51 o
-2 8 -5 1405.13 1520.19 257.19 o
0 8 -5 7243.93 7094.59 309.09 o
2 8 -5 1088.97 1096.24 212.46 o
4 8 -5 6875.69 6644.40 388.09 o
6 8 -5 2334.67 2189.25 135.16 o
8 8 -5 2468.64 2693.34 134.87 o
-1 9 -5 2265.44 2796.96 342.82 o
1 9 -5 2439.25 778.33 958.49 o
3 9 -5 101.86 13.30 25.90 o
5 9 -5 1303.60 1436.91 166.79 o
7 9 -5 1696.29 1760.57 118.81 o
9 9 -5 3298.77 3301.11 262.95 o
-2 10 -5 4733.30 4869.68 468.03 o
0 10 -5 2076.83 2293.69 156.41 o
2 10 -5 8731.35 8763.58 300.70 o
4 10 -5 5498.59 3968.72 1135.95 o
6 10 -5 32052.89 31736.17 649.44 o
8 10 -5 14832.83 15589.13 393.39 o
-1 11 -5 1243.67 1332.05 248.42 o
1 11 -5 1096.62 1197.72 113.05 o
3 11 -5 36.26 22.06 25.05 o
5 11 -5 2843.91 2686.76 152.99 o
7 11 -5 2156.48 2243.84 186.68 o
0 12 -5 6271.90 6348.30 527.44 o
2 12 -5 3325.36 3407.09 369.33 o
4 12 -5 5043.42 4766.82 258.31 o
6 12 -5 427.54 390.35 59.57 o
8 12 -5 2301.63 2426.79 138.56 o
-1 13 -5 299.21 288.36 136.18 o
1 13 -5 484.76 443.27 150.78 o
3 13 -5 1387.97 1284.49 230.93 o
5 13 -5 10225.03 9825.92 314.44 o
7 13 -5 3178.35 3021.66 156.14 o
0 14 -5 1388.64 1556.91 275.62 o
2 14 -5 2065.12 2109.50 301.93 o
4 14 -5 2721.80 2326.96 183.88 o
6 14 -5 2020.46 1929.38 127.01 o
8 14 -5 1064.54 991.97 142.53 o
1 15 -5 10020.00 10117.82 682.31 o
3 15 -5 8216.91 8667.94 597.82 o
5 15 -5 9679.11 9141.16 330.01 o
7 15 -5 5121.25 5072.11 312.09 o
2 16 -5 1115.55 1061.59 227.05 o
4 16 -5 1856.99 2155.61 298.70 o
6 16 -5 1003.35 893.54 103.26 o
3 17 -5 1512.16 1620.64 265.58 o
5 17 -5 6714.70 6758.51 526.72 o
4 18 -5 527.92 451.38 154.25 o
6 18 -5 1250.31 1481.72 253.75 o
5 19 -5 696.54 724.00 191.72 o
7 19 -5 1262.46 1305.57 239.38 o
6 20 -5 10902.50 11425.88 711.96 o
8 20 -5 4334.31 4182.61 424.85 o
-4 0 -4 8863.17 8909.39 493.40 o
-2 0 -4 15435.41 15989.22 481.68 o
0 0 -4 28483.51 28955.68 564.15 o
2 0 -4 14918.51 14939.45 444.83 o
4 0 -4 33227.30 33256.34 937.03 o
6 0 -4 23435.11 23159.77 812.52 o
-5 1 -4 905.61 772.54 105.08 o
-3 1 -4 993.53 919.62 92.15 o
-1 1 -4 832.38 933.12 76.97 o
1 1 -4 15204.89 15394.63 292.04 o
3 1 -4 3491.42 3568.57 158.64 o
5 1 -4 4497.83 4457.89 162.21 o
7 1 -4 5734.04 5935.47 246.07 o
9 1 -4 961.75 1150.75 108.35 o
11 1 -4 12566.83 12863.94 394.95 o
-4 2 -4 1119.77 1134.33 121.79 o
-2 2 -4 375.19 470.22 57.54 o
0 2 -4 1604.28 1582.08 80.92 o
2 2 -4 16067.92 16356.09 384.79 o
4 2 -4 9309.82 8954.98 252.88 o
6 2 -4 23103.97 22201.20 496.71 o
8 2 -4 456.55 442.07 95.92 o
10 2 -4 91.93 149.97 47.21 o
-5 3 -4 1758.97 1594.45 144.50 o
-3 3 -4 7878.43 7420.70 251.28 o
-1 3 -4 8837.99 9144.49 279.97 o
1 3 -4 10878.12 11127.07 276.70 o
3 3 -4 4637.77 4909.51 190.05 o
5 3 -4 244.53 262.24 42.85 o
7 3 -4 16531.06 15702.44 571.28 o
9 3 -4 5243.52 5596.14 195.27 o
11 3 -4 15684.99 15391.69 444.00 o
-4 4 -4 3386.83 3500.77 170.98 o
-2 4 -4 879.78 704.37 74.79 o
0 4 -4 1623.47 1639.60 91.16 o
2 4 -4 2135.63 1069.74 640.97 o
4 4 -4 3864.23 3980.99 164.12 o
6 4 -4 12500.56 12651.20 414.50 o
8 4 -4 1903.69 1851.74 175.21 o
10 4 -4 3735.28 3814.70 201.19 o
-5 5 -4 8500.43 8862.49 342.21 o
-3 5 -4 2932.11 2885.23 147.23 o
-1 5 -4 10285.27 10435.52 356.32 o
1 5 -4 20440.57 12736.36 4849.30 o
3 5 -4 45334.20 45467.32 629.21 o
5 5 -4 56915.05 10900.11 28345.12 o
7 5 -4 37037.57 35131.59 612.18 o
9 5 -4 20745.87 21260.88 527.91 o
-4 6 -4 2205.50 2326.90 205.78 o
-2 6 -4 4.84 34.77 28.18 o
0 6 -4 1660.30 902.39 418.40 o
2 6 -4 6286.56 6564.19 190.98 o
4 6 -4 2883.55 3036.68 132.42 o
8 6 -4 1545.62 1544.93 124.79 o
10 6 -4 3839.23 3995.02 209.33 o
-5 7 -4 1410.77 1667.71 256.17 o
-3 7 -4 7376.07 7139.02 224.86 o
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1 7 -4 6132.33 6314.31 174.60 o
3 7 -4 1575.30 1557.57 85.17 o
5 7 -4 953.04 891.22 88.51 o
7 7 -4 26192.07 26112.23 432.93 o
9 7 -4 11742.50 12083.51 380.73 o
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0 8 -4 1447.74 1506.19 83.17 o
2 8 -4 14190.78 14451.53 267.00 o
4 8 -4 5650.94 5647.12 176.79 o
6 8 -4 7904.16 7997.19 294.43 o
8 8 -4 2663.11 2689.55 168.15 o
10 8 -4 483.34 541.12 80.76 o
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3 9 -4 210.60 235.09 37.00 o
5 9 -4 6285.53 6262.58 267.85 o
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4 10 -4 13674.74 14130.09 423.08 o
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3 11 -4 1345.78 1315.31 85.03 o
5 11 -4 3236.11 3211.54 174.70 o
7 11 -4 6817.58 6950.81 191.92 o
9 11 -4 417.60 516.13 104.08 o
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0 12 -4 1203.58 1270.47 53.79 o
2 12 -4 14012.03 14212.26 309.02 o
4 12 -4 10301.87 2515.45 5369.96 o
6 12 -4 20388.79 20955.80 398.03 o
8 12 -4 2167.33 2177.45 105.72 o
-3 13 -4 2938.35 2629.68 329.02 o
-1 13 -4 2507.28 2987.76 327.92 o
1 13 -4 2436.21 2442.09 84.07 o
3 13 -4 524.24 593.35 57.55 o
5 13 -4 247.84 203.05 55.35 o
7 13 -4 11333.75 11950.56 296.98 o
-2 14 -4 405.72 437.83 150.67 o
0 14 -4 227.74 171.73 93.40 o
2 14 -4 660.96 603.37 53.09 o
4 14 -4 898.08 295.35 343.22 o
6 14 -4 6128.88 6465.64 220.69 o
8 14 -4 2267.01 2320.16 108.44 o
-3 15 -4 1497.02 1865.01 282.96 o
-1 15 -4 3709.27 3705.12 378.06 o
1 15 -4 8927.54 8378.38 560.65 o
3 15 -4 19595.29 19838.41 390.08 o
5 15 -4 17569.13 18209.26 623.79 o
7 15 -4 8721.81 8960.80 264.92 o
-2 16 -4 567.54 463.08 153.15 o
0 16 -4 292.02 392.27 147.06 o
2 16 -4 802.23 837.34 59.98 o
4 16 -4 466.96 34.42 188.24 o
6 16 -4 5021.34 4770.33 281.16 o
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1 17 -4 6248.77 5907.62 477.92 o
3 17 -4 850.47 909.10 77.54 o
5 17 -4 808.27 735.96 86.70 o
7 17 -4 7072.81 6753.29 363.44 o
0 18 -4 418.01 402.88 144.41 o
2 18 -4 5050.63 5052.91 440.66 o
4 18 -4 2489.36 2558.35 299.03 o
6 18 -4 3511.72 3265.29 233.22 o
1 19 -4 3250.20 3282.71 361.54 o
3 19 -4 335.52 379.67 130.55 o
5 19 -4 1336.78 1562.27 239.36 o
7 19 -4 2064.30 1964.28 156.21 o
2 20 -4 4177.92 4170.23 407.14 o
4 20 -4 4308.09 4420.36 402.84 o
6 20 -4 6255.83 6442.13 481.01 o
3 21 -4 53.80 14.08 80.95 o
5 21 -4 985.12 1004.82 199.97 o
7 21 -4 1451.41 1443.61 230.96 o
4 22 -4 4617.15 4710.13 432.12 o
6 22 -4 3924.18 3869.07 374.32 o
8 22 -4 2081.57 2065.07 278.66 o
-8 0 -3 7581.38 7718.77 464.38 o
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-2 0 -3 26591.00 26643.38 492.35 o
0 0 -3 34219.16 33658.96 701.69 o
2 0 -3 120835.42 116621.98 1790.48 o
4 0 -3 32823.14 30524.39 784.96 o
10 0 -3 32932.62 34843.93 989.76 o
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1 1 -3 3048.97 2885.05 128.46 o
3 1 -3 9440.97 9642.74 228.05 o
5 1 -3 9149.63 9058.37 295.73 o
9 1 -3 1887.24 2042.92 184.84 o
11 1 -3 2122.73 2219.52 144.54 o
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0 2 -3 7622.35 7507.55 187.67 o
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10 2 -3 4592.61 4915.07 209.36 o
12 2 -3 4419.59 4710.26 315.77 o
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1 3 -3 24571.51 24684.80 437.12 o
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5 3 -3 8122.56 8166.85 207.10 o
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11 3 -3 3126.81 3209.31 175.78 o
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12 8 -3 94.38 82.54 54.78 o
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1 9 -3 7188.18 7268.77 146.53 o
3 9 -3 15088.80 14886.79 325.95 o
5 9 -3 2361.16 2305.45 115.27 o
7 9 -3 6531.54 6648.86 247.36 o
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0 10 -3 20938.21 21217.14 262.05 o
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4 10 -3 22280.79 22465.99 661.76 o
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10 10 -3 16957.57 17269.14 678.21 o
12 10 -3 15689.87 13429.68 569.94 o
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