#------------------------------------------------------------------------------
#$Date: 2018-07-07 05:28:07 +0300 (Sat, 07 Jul 2018) $
#$Revision: 208909 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/1/54/96/1549667.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_1549667
_cell_angle_alpha                90.000
_cell_angle_beta                 100.120
_cell_angle_gamma                90.000
_cell_length_a                   9.8377
_cell_length_b                   7.0700
_cell_length_c                   24.2680
_exptl_crystal_F_000             1088.00
_reflns_d_resolution_high        0.8308
_cod_data_source_file            lh4036Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' p21n_a.res in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            445.59
_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 4137.26 4451.46 109.65 o
4 0 0 5862.44 6646.91 200.86 o
6 0 0 58062.92 62360.69 1098.84 o
8 0 0 10253.32 10962.13 449.58 o
10 0 0 2401.86 2082.62 219.85 o
1 1 0 1842.03 1907.67 43.78 o
2 1 0 30898.67 34338.99 456.56 o
3 1 0 684.47 543.32 36.68 o
4 1 0 119.08 119.78 27.70 o
5 1 0 3823.64 3730.34 86.38 o
6 1 0 122.82 110.14 22.18 o
7 1 0 1587.39 1593.49 117.10 o
8 1 0 7039.76 6461.42 263.36 o
9 1 0 10399.33 10362.74 328.25 o
10 1 0 2414.95 2428.98 163.87 o
11 1 0 165.90 58.77 63.73 o
0 2 0 3106.57 2763.19 91.72 o
1 2 0 25618.66 26587.88 334.80 o
2 2 0 5791.50 6379.89 122.05 o
3 2 0 276.00 154.43 25.27 o
4 2 0 6741.74 7057.72 157.20 o
5 2 0 11806.07 12251.95 216.12 o
6 2 0 1662.34 1658.56 71.32 o
7 2 0 17066.63 17201.98 401.41 o
8 2 0 2815.28 2528.14 145.81 o
9 2 0 560.24 548.98 90.62 o
10 2 0 2002.35 1849.72 181.76 o
11 2 0 93.70 107.48 63.28 o
1 3 0 2584.61 2892.99 86.90 o
2 3 0 26682.60 28891.06 359.90 o
3 3 0 549.28 572.31 40.87 o
4 3 0 1171.44 1196.76 64.16 o
5 3 0 1894.90 1750.86 75.25 o
6 3 0 74.21 44.11 25.14 o
7 3 0 2019.69 1790.96 139.75 o
8 3 0 10955.37 11636.04 335.61 o
9 3 0 77.87 74.55 43.68 o
10 3 0 4758.53 4731.30 229.94 o
0 4 0 8133.70 8186.27 210.97 o
1 4 0 2250.86 1999.73 82.23 o
2 4 0 22405.31 23433.64 338.88 o
3 4 0 2432.95 2369.45 81.30 o
4 4 0 16610.10 17160.44 269.78 o
5 4 0 102.16 124.15 32.42 o
6 4 0 1219.92 1057.59 67.87 o
7 4 0 4870.93 4723.86 201.58 o
8 4 0 1786.33 1426.73 153.89 o
9 4 0 348.65 253.56 87.05 o
10 4 0 1853.76 2081.75 194.91 o
1 5 0 450.59 373.03 69.73 o
2 5 0 6358.09 6254.57 207.95 o
3 5 0 1035.87 1088.63 122.47 o
4 5 0 3403.05 3177.19 150.10 o
5 5 0 49.78 49.36 33.97 o
6 5 0 5482.23 5127.38 185.92 o
7 5 0 1542.29 1321.16 167.46 o
8 5 0 936.99 609.45 101.19 o
9 5 0 1409.90 1205.74 137.18 o
0 6 0 210.42 285.75 87.44 o
1 6 0 680.17 635.86 94.75 o
2 6 0 3358.07 3049.90 156.87 o
3 6 0 18091.59 19137.97 449.40 o
4 6 0 165.11 94.23 48.95 o
5 6 0 5530.68 5931.20 232.49 o
6 6 0 78.88 60.03 49.58 o
7 6 0 82.94 107.02 72.58 o
8 6 0 599.25 577.69 118.81 o
1 7 0 2426.56 2139.24 159.12 o
2 7 0 1482.34 1485.28 137.78 o
3 7 0 0.36 30.26 48.61 o
4 7 0 3610.19 3595.37 190.90 o
5 7 0 2852.39 3043.68 183.11 o
6 7 0 4598.96 4555.27 265.54 o
0 8 0 433.48 245.17 158.96 o
1 8 0 42.28 1.77 53.51 o
2 8 0 7176.34 8222.73 313.35 o
3 8 0 878.52 919.02 123.18 o
-11 0 1 5019.15 6404.69 398.50 o
-9 0 1 8152.23 8760.93 777.25 o
-7 0 1 834.85 783.24 125.76 o
-5 0 1 32159.68 33896.11 637.66 o
-3 0 1 80816.38 85773.03 1425.39 o
-1 0 1 11315.64 12365.69 266.33 o
1 0 1 4233.32 4541.22 198.18 o
3 0 1 38231.96 38546.24 659.19 o
5 0 1 39829.70 45444.46 810.94 o
7 0 1 2076.07 1851.21 165.68 o
9 0 1 4188.00 4197.60 287.47 o
11 0 1 4247.80 4098.69 327.17 o
-11 1 1 3968.80 4310.36 228.84 o
-10 1 1 217.46 222.00 63.19 o
-9 1 1 44.40 7.90 41.66 o
-8 1 1 729.67 708.57 89.32 o
-7 1 1 1550.07 1380.57 108.46 o
-6 1 1 14144.95 14387.04 224.24 o
-5 1 1 12267.86 13468.19 204.30 o
-4 1 1 12569.97 12694.60 203.03 o
-3 1 1 2384.23 2619.96 67.73 o
-2 1 1 13382.84 14028.64 241.10 o
-1 1 1 3192.34 3347.51 60.47 o
0 1 1 1093.14 1105.05 48.27 o
1 1 1 591.79 603.19 28.68 o
2 1 1 24197.10 25857.05 392.08 o
3 1 1 20.28 26.84 12.27 o
4 1 1 11769.99 11827.14 189.88 o
5 1 1 8561.35 8862.34 147.07 o
6 1 1 22196.10 23339.63 353.34 o
7 1 1 3518.57 3288.41 153.84 o
8 1 1 120.63 122.07 46.37 o
9 1 1 3.40 31.90 39.23 o
10 1 1 5.01 -8.96 43.56 o
11 1 1 3651.96 3938.86 222.28 o
-11 2 1 2461.64 2091.45 172.89 o
-10 2 1 5983.35 6618.94 274.13 o
-9 2 1 151.34 88.05 43.05 o
-8 2 1 1636.93 1432.64 116.80 o
-7 2 1 2956.43 2469.43 131.07 o
-6 2 1 24.65 0.37 21.33 o
-5 2 1 848.73 726.97 49.01 o
-4 2 1 46337.08 48811.67 1011.67 o
-3 2 1 15705.73 16544.25 270.71 o
-2 2 1 37417.98 38592.38 441.43 o
-1 2 1 6177.46 5984.39 102.12 o
0 2 1 568.73 463.03 32.46 o
1 2 1 1664.18 1440.48 38.81 o
2 2 1 28518.18 28810.41 374.81 o
3 2 1 19367.45 21005.29 302.88 o
4 2 1 48875.38 52307.36 655.16 o
5 2 1 165.35 222.67 30.90 o
6 2 1 749.63 708.44 59.83 o
7 2 1 2724.22 2517.08 135.72 o
8 2 1 16.69 28.38 36.95 o
9 2 1 1290.04 1503.59 138.33 o
10 2 1 5172.01 5384.40 246.11 o
11 2 1 612.46 794.06 177.97 o
-10 3 1 1055.77 842.47 117.30 o
-9 3 1 16.42 61.00 47.09 o
-8 3 1 4249.27 4394.98 192.20 o
-7 3 1 3272.04 2897.18 226.46 o
-6 3 1 2.10 -14.70 21.64 o
-5 3 1 9993.68 10067.46 200.49 o
-4 3 1 620.98 568.37 44.07 o
-3 3 1 357.91 345.41 33.20 o
-2 3 1 13398.01 14465.17 222.31 o
-1 3 1 7038.38 6795.96 146.54 o
0 3 1 838.90 768.17 33.14 o
1 3 1 2018.34 1926.41 51.40 o
2 3 1 8502.03 8776.33 148.28 o
3 3 1 192.96 163.81 26.29 o
4 3 1 59.72 54.50 20.34 o
5 3 1 15453.44 16132.83 291.74 o
6 3 1 189.82 132.91 33.04 o
7 3 1 1098.61 1023.35 102.00 o
8 3 1 2914.63 2668.53 226.76 o
9 3 1 394.06 280.33 67.78 o
10 3 1 3096.40 3031.65 186.03 o
-10 4 1 2178.53 2475.09 293.87 o
-9 4 1 1556.32 1490.49 172.67 o
-8 4 1 610.70 362.10 91.57 o
-7 4 1 6755.04 6848.64 242.22 o
-6 4 1 1627.72 1504.88 82.32 o
-5 4 1 5849.83 5862.86 173.73 o
-4 4 1 7540.54 7726.58 158.93 o
-3 4 1 12377.52 12943.14 226.43 o
-2 4 1 1624.53 1404.20 72.13 o
-1 4 1 11704.83 11790.12 231.11 o
0 4 1 7076.11 6794.16 158.61 o
1 4 1 17308.76 17568.35 264.75 o
2 4 1 730.98 609.76 43.92 o
3 4 1 4687.97 4741.43 114.01 o
4 4 1 11465.93 11983.99 250.33 o
5 4 1 5708.18 5425.14 150.56 o
6 4 1 667.05 711.41 62.52 o
7 4 1 5366.81 5256.57 227.23 o
8 4 1 1861.73 1667.41 175.51 o
9 4 1 947.81 777.74 132.00 o
10 4 1 1970.62 1888.53 209.34 o
-9 5 1 4476.40 4639.97 230.18 o
-8 5 1 1328.68 1525.67 143.73 o
-7 5 1 183.61 228.19 62.66 o
-6 5 1 1365.15 1369.29 137.50 o
-5 5 1 2213.93 2038.46 100.77 o
-4 5 1 819.30 673.02 84.52 o
-3 5 1 1435.14 1351.80 96.45 o
-2 5 1 3.10 5.18 31.55 o
-1 5 1 4609.97 4472.72 170.51 o
0 5 1 175.52 67.83 33.76 o
1 5 1 7436.01 6591.81 212.45 o
2 5 1 63.18 46.27 33.18 o
3 5 1 304.43 259.54 68.24 o
4 5 1 4196.03 4192.70 171.92 o
5 5 1 1376.60 1134.80 94.45 o
6 5 1 1409.61 1448.31 223.78 o
7 5 1 1109.38 1226.43 153.40 o
8 5 1 1827.96 1850.77 155.86 o
9 5 1 3311.52 3564.24 204.79 o
-8 6 1 3651.74 3766.13 249.08 o
-7 6 1 19.71 70.08 83.47 o
-6 6 1 10651.44 11045.12 333.90 o
-5 6 1 500.24 326.45 78.07 o
-4 6 1 345.85 259.70 92.49 o
-3 6 1 4384.37 4327.94 189.46 o
-2 6 1 1704.74 1601.38 116.37 o
-1 6 1 101.60 74.09 41.68 o
0 6 1 30294.00 32110.80 633.75 o
1 6 1 55.09 99.67 45.25 o
2 6 1 7029.10 6876.26 272.35 o
3 6 1 2096.06 1968.91 128.54 o
4 6 1 60.66 2.20 41.13 o
5 6 1 323.36 196.58 57.01 o
6 6 1 5192.03 5512.71 231.61 o
7 6 1 0.39 58.83 73.00 o
8 6 1 6127.08 6543.81 330.79 o
-6 7 1 267.14 128.74 61.64 o
-5 7 1 635.28 516.65 92.51 o
-4 7 1 38.87 59.53 49.04 o
-3 7 1 3018.46 3163.98 342.96 o
-2 7 1 838.21 741.07 102.65 o
-1 7 1 260.23 301.58 69.30 o
0 7 1 9.45 -30.00 36.83 o
1 7 1 2388.62 2212.32 148.68 o
2 7 1 3238.37 2981.42 170.55 o
3 7 1 1895.36 2091.13 145.49 o
4 7 1 17.67 -5.01 45.25 o
5 7 1 413.96 365.45 95.96 o
6 7 1 230.30 215.03 84.83 o
-4 8 1 143.48 44.56 63.42 o
-3 8 1 94.54 70.27 58.70 o
-2 8 1 12.96 50.13 63.58 o
-1 8 1 6268.58 6827.77 373.59 o
0 8 1 3551.55 3518.03 201.41 o
1 8 1 6317.87 6639.01 276.01 o
2 8 1 311.18 284.47 78.14 o
3 8 1 157.82 110.21 66.38 o
-10 0 2 997.64 1204.93 235.34 o
-8 0 2 16641.47 17636.59 594.11 o
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-4 0 2 225.60 264.23 45.45 o
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0 0 2 198550.38 204136.39 3851.55 o
2 0 2 6114.61 6355.56 272.50 o
4 0 2 390.54 307.16 64.18 o
6 0 2 15519.96 15708.71 566.68 o
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10 0 2 1355.75 1545.89 230.59 o
-11 1 2 1.05 -49.01 53.73 o
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3 1 2 5757.88 5616.30 105.49 o
4 1 2 446.26 476.11 37.24 o
5 1 2 6556.42 6566.01 130.28 o
6 1 2 2538.62 2609.01 127.84 o
7 1 2 2357.49 1905.29 119.81 o
8 1 2 4070.95 3670.51 176.91 o
9 1 2 13352.51 14660.12 408.86 o
10 1 2 4396.52 4600.68 228.90 o
11 1 2 61.74 115.68 65.02 o
-11 2 2 313.44 118.26 69.69 o
-10 2 2 2386.25 2213.41 158.36 o
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0 2 2 10618.92 10349.58 176.25 o
1 2 2 51230.07 54312.64 591.19 o
2 2 2 4725.74 4960.54 104.89 o
3 2 2 558.32 550.46 44.62 o
4 2 2 10186.17 10577.73 187.92 o
5 2 2 8962.64 9276.12 178.88 o
6 2 2 1635.57 1395.21 97.39 o
7 2 2 7881.79 8004.24 366.07 o
8 2 2 2290.57 2219.85 141.38 o
9 2 2 2514.60 2293.58 153.75 o
10 2 2 1816.04 1837.52 210.07 o
11 2 2 6.40 42.53 60.00 o
-11 3 2 897.01 1061.89 159.84 o
-10 3 2 5396.91 5895.47 250.94 o
-9 3 2 20.91 12.01 46.20 o
-8 3 2 11892.50 12117.15 336.76 o
-7 3 2 2673.46 2551.47 156.43 o
-6 3 2 491.35 416.92 48.58 o
-5 3 2 300.53 291.12 46.04 o
-4 3 2 845.25 824.10 47.53 o
-3 3 2 76.91 61.30 18.61 o
-2 3 2 23655.73 25601.32 347.66 o
-1 3 2 1244.65 1066.55 64.75 o
0 3 2 6418.86 7097.04 152.05 o
1 3 2 459.78 360.23 26.46 o
2 3 2 25725.67 26597.38 340.70 o
3 3 2 179.86 132.84 23.91 o
4 3 2 1062.95 1012.96 87.40 o
5 3 2 10852.64 11271.54 271.87 o
6 3 2 52.66 23.41 29.37 o
7 3 2 395.54 249.56 56.58 o
8 3 2 13459.36 15154.67 402.28 o
9 3 2 108.81 77.60 53.41 o
10 3 2 4333.22 4830.22 293.50 o
-10 4 2 2222.50 2719.65 257.38 o
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-8 4 2 2931.82 2941.33 190.94 o
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-5 4 2 69.27 71.66 27.75 o
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3 4 2 4260.43 4244.38 108.07 o
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5 4 2 1170.31 1028.58 61.68 o
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8 4 2 26.36 -38.41 48.65 o
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0 5 2 436.67 372.01 58.84 o
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3 1 3 247.78 211.12 22.18 o
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5 1 3 12578.20 12408.33 257.20 o
6 1 3 27241.05 29425.96 565.92 o
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8 1 3 13.90 55.56 41.72 o
9 1 3 64.58 83.45 51.65 o
10 1 3 268.65 100.66 72.11 o
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-4 2 3 41584.07 44867.39 629.91 o
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