#------------------------------------------------------------------------------
#$Date: 2016-07-13 04:43:47 +0300 (Wed, 13 Jul 2016) $
#$Revision: 184425 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/1/54/36/1543658.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_1543658
_cell_angle_alpha                90.000
_cell_angle_beta                 91.820
_cell_angle_gamma                90.000
_cell_length_a                   8.0636
_cell_length_b                   8.4278
_cell_length_c                   17.2516
_exptl_crystal_F_000             788.00
_reflns_d_resolution_high        0.7973
_cod_data_source_file            wm4018Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' ARS059_scale_a.res in P2(1)/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            289.03
_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 0 803.59 748.80 15.14 o
3 0 0 7662.67 7110.46 120.18 o
4 0 0 55218.14 56117.12 884.68 o
5 0 0 2170.75 2057.88 58.90 o
6 0 0 503.77 474.11 35.49 o
7 0 0 4.36 -22.02 32.22 o
8 0 0 6656.52 6702.19 211.38 o
9 0 0 49.28 -93.30 93.30 o
10 0 0 79.92 171.83 121.70 o
1 1 0 6014.49 6020.98 66.02 o
2 1 0 126.95 136.49 7.20 o
3 1 0 1397.38 1284.51 21.21 o
4 1 0 89.70 98.99 17.40 o
5 1 0 842.34 726.19 26.15 o
6 1 0 405.21 471.82 28.74 o
7 1 0 292.05 261.62 28.26 o
8 1 0 276.33 602.30 50.77 o
9 1 0 476.85 531.37 74.65 o
10 1 0 12.66 -76.34 85.92 o
0 2 0 22138.97 26372.03 448.38 o
1 2 0 1307.15 1224.68 18.60 o
2 2 0 2473.79 2476.61 41.26 o
3 2 0 5631.00 5588.57 63.73 o
4 2 0 8329.34 8103.70 95.64 o
5 2 0 241.67 261.13 22.22 o
6 2 0 2672.62 2664.59 60.84 o
7 2 0 2373.63 2385.96 87.41 o
8 2 0 547.52 578.52 49.47 o
9 2 0 3.08 14.31 59.07 o
1 3 0 6.51 4.48 5.64 o
2 3 0 15231.43 15048.72 157.80 o
3 3 0 86.36 76.94 10.96 o
4 3 0 1004.46 917.68 25.57 o
5 3 0 173.40 174.16 21.16 o
6 3 0 4761.56 4633.11 79.81 o
7 3 0 150.09 398.35 36.59 o
8 3 0 550.81 570.82 57.16 o
9 3 0 204.80 92.13 77.83 o
0 4 0 158.00 190.99 13.39 o
1 4 0 348.10 333.66 12.16 o
2 4 0 28.81 44.74 15.04 o
3 4 0 3354.77 3180.52 66.02 o
4 4 0 152.23 182.25 30.52 o
5 4 0 156.38 148.70 26.68 o
6 4 0 989.77 1703.07 79.70 o
7 4 0 536.57 696.03 48.79 o
8 4 0 55.15 57.45 57.57 o
9 4 0 4.96 -29.20 69.84 o
1 5 0 1807.17 1790.29 27.55 o
2 5 0 39473.95 39517.16 531.41 o
3 5 0 4844.08 4630.63 82.95 o
4 5 0 222.02 260.20 36.27 o
5 5 0 82.20 54.25 39.43 o
6 5 0 9540.27 9703.75 211.38 o
7 5 0 618.64 622.53 66.29 o
8 5 0 159.43 172.18 64.95 o
0 6 0 3086.54 3135.83 77.54 o
1 6 0 1596.95 1636.74 39.38 o
2 6 0 134.00 130.19 23.81 o
3 6 0 3573.86 3246.31 77.53 o
4 6 0 70.70 77.63 42.01 o
5 6 0 35.89 -43.19 43.19 o
6 6 0 8.46 344.87 56.94 o
7 6 0 418.83 465.06 70.57 o
8 6 0 23.41 55.04 79.04 o
1 7 0 2131.56 2125.66 48.36 o
2 7 0 2630.45 2413.11 91.91 o
3 7 0 195.37 210.24 31.78 o
4 7 0 833.51 819.58 60.17 o
5 7 0 1950.80 1904.89 111.06 o
6 7 0 506.36 589.83 69.34 o
7 7 0 75.74 97.97 84.42 o
0 8 0 7308.60 7404.38 211.35 o
1 8 0 523.03 568.63 39.21 o
2 8 0 17.60 43.69 35.75 o
3 8 0 19.74 52.33 40.95 o
4 8 0 5546.00 5273.98 148.55 o
5 8 0 650.83 758.54 83.14 o
6 8 0 57.06 186.23 94.71 o
1 9 0 28.51 -9.95 42.45 o
2 9 0 1863.85 1732.41 78.45 o
3 9 0 1.80 -55.14 63.27 o
4 9 0 180.29 268.03 70.70 o
5 9 0 490.94 445.43 84.21 o
0 10 0 5863.04 5713.87 388.56 o
1 10 0 41.04 -35.38 99.24 o
2 10 0 43.18 2.64 73.87 o
3 10 0 74.60 25.08 116.97 o
-10 1 1 3.00 131.54 87.74 o
-9 1 1 525.26 503.51 74.18 o
-8 1 1 5044.88 4962.42 117.44 o
-7 1 1 22.30 26.75 28.43 o
-6 1 1 1147.10 1180.55 33.70 o
-5 1 1 4028.48 3929.27 56.90 o
-4 1 1 36457.05 36726.41 363.25 o
-3 1 1 168.72 131.00 9.34 o
-2 1 1 17418.80 18352.95 207.09 o
-1 1 1 4716.71 4699.56 55.32 o
1 1 1 937.98 882.22 24.89 o
2 1 1 48289.75 50842.52 495.46 o
3 1 1 58.63 28.83 8.63 o
4 1 1 16246.06 15923.41 156.03 o
5 1 1 38.74 50.94 13.04 o
6 1 1 3764.84 3667.03 59.22 o
7 1 1 44.90 24.18 26.62 o
8 1 1 1134.43 1191.20 67.94 o
9 1 1 20.98 66.39 67.73 o
10 1 1 404.06 489.07 96.13 o
-9 2 1 391.01 304.39 66.39 o
-8 2 1 0.16 72.72 43.81 o
-7 2 1 58.85 187.57 38.30 o
-6 2 1 1191.20 1269.98 46.32 o
-5 2 1 5276.37 5207.54 75.46 o
-4 2 1 304.23 231.85 14.62 o
-3 2 1 7.22 -1.64 9.79 o
-2 2 1 86.68 117.86 16.30 o
-1 2 1 1201.77 1225.22 28.51 o
0 2 1 3539.12 4035.50 46.68 o
1 2 1 2809.23 2666.01 33.51 o
2 2 1 5200.18 5577.40 76.06 o
3 2 1 1529.11 1389.18 23.00 o
4 2 1 8357.54 8142.23 91.86 o
5 2 1 2440.26 2387.02 44.71 o
6 2 1 108.49 344.98 25.98 o
7 2 1 57.37 70.64 36.62 o
8 2 1 1144.80 1291.59 59.91 o
9 2 1 484.23 458.68 56.60 o
-9 3 1 75.93 60.70 69.27 o
-8 3 1 373.27 343.50 49.64 o
-7 3 1 2267.62 2248.88 60.61 o
-6 3 1 53.10 291.14 26.87 o
-5 3 1 10.82 11.12 24.37 o
-4 3 1 644.74 635.30 22.52 o
-3 3 1 4817.02 4412.07 64.05 o
-2 3 1 2157.90 2095.74 39.74 o
-1 3 1 3087.26 2838.12 39.07 o
0 3 1 2311.91 2807.32 34.09 o
1 3 1 2736.50 2544.53 31.76 o
2 3 1 8854.88 8736.35 87.31 o
3 3 1 4011.33 3718.41 49.51 o
4 3 1 64.11 12.55 15.85 o
5 3 1 483.60 494.19 27.05 o
6 3 1 3857.16 3839.52 70.95 o
7 3 1 2110.19 2218.48 65.49 o
8 3 1 0.95 34.91 46.83 o
9 3 1 96.57 57.00 59.43 o
-9 4 1 1.39 -69.93 69.93 o
-8 4 1 306.59 273.95 68.89 o
-7 4 1 1633.35 1762.70 70.52 o
-6 4 1 12054.14 11902.14 219.37 o
-5 4 1 792.52 797.08 53.23 o
-4 4 1 2268.39 2068.63 68.23 o
-3 4 1 3462.29 3082.04 62.24 o
-2 4 1 51689.68 52448.20 586.27 o
-1 4 1 2134.85 2075.30 36.08 o
0 4 1 7330.06 7742.46 82.15 o
1 4 1 1599.89 1444.43 25.65 o
2 4 1 36363.69 36519.60 360.31 o
3 4 1 1898.03 1758.40 37.53 o
4 4 1 4340.90 4142.81 77.65 o
5 4 1 283.42 319.91 29.21 o
6 4 1 8315.48 8257.50 149.60 o
7 4 1 14.04 4.01 40.22 o
8 4 1 854.79 925.79 62.07 o
9 4 1 8.10 -70.77 70.77 o
-8 5 1 458.51 448.40 69.40 o
-7 5 1 5.81 44.70 79.83 o
-6 5 1 81.75 630.36 134.02 o
-5 5 1 317.70 351.74 44.03 o
-4 5 1 4105.97 3814.20 101.12 o
-3 5 1 185.73 189.05 19.32 o
-2 5 1 942.63 1014.87 32.56 o
-1 5 1 2089.28 2093.68 32.15 o
0 5 1 2423.10 2337.26 32.64 o
1 5 1 1.71 52.08 10.79 o
2 5 1 231.96 234.50 16.71 o
3 5 1 314.46 312.05 18.58 o
4 5 1 1858.17 1845.48 101.57 o
5 5 1 70.48 64.65 28.19 o
6 5 1 73.61 432.05 44.66 o
7 5 1 9.81 146.98 61.72 o
8 5 1 73.09 122.48 63.27 o
-8 6 1 30.49 66.09 78.32 o
-7 6 1 407.20 391.39 69.56 o
-6 6 1 3729.58 3628.51 121.50 o
-5 6 1 6.18 -20.09 45.69 o
-4 6 1 468.37 510.82 49.22 o
-3 6 1 28.13 35.78 21.80 o
-2 6 1 13309.50 12954.71 220.58 o
-1 6 1 34.20 52.15 15.93 o
0 6 1 5507.03 5665.56 84.67 o
1 6 1 45.55 48.44 15.35 o
2 6 1 6327.46 6028.66 144.41 o
3 6 1 2018.47 1898.88 50.98 o
4 6 1 3226.52 2996.54 118.98 o
5 6 1 2059.49 2074.79 93.54 o
6 6 1 1108.59 1157.98 76.03 o
7 6 1 334.50 485.47 87.18 o
8 6 1 1170.78 1210.69 86.74 o
-7 7 1 12.11 -73.25 73.25 o
-6 7 1 38.99 12.66 80.87 o
-5 7 1 196.22 251.44 56.03 o
-4 7 1 704.14 695.77 72.20 o
-3 7 1 277.33 299.36 30.97 o
-2 7 1 109.82 105.95 27.59 o
-1 7 1 1105.97 1143.23 49.64 o
0 7 1 2095.06 2056.82 46.94 o
1 7 1 84.07 139.97 21.84 o
2 7 1 378.98 430.27 29.01 o
3 7 1 133.39 146.89 29.02 o
4 7 1 578.05 614.10 59.13 o
5 7 1 12.42 -51.43 51.43 o
6 7 1 664.34 733.16 70.47 o
7 7 1 315.20 375.55 77.86 o
-6 8 1 251.75 271.87 76.41 o
-5 8 1 1510.96 1405.73 94.70 o
-4 8 1 10.83 15.90 63.40 o
-3 8 1 310.07 292.86 43.71 o
-2 8 1 361.32 254.03 40.19 o
-1 8 1 342.45 539.82 54.71 o
0 8 1 2350.31 2394.52 66.81 o
1 8 1 2304.54 2074.91 66.21 o
2 8 1 297.44 241.19 33.15 o
3 8 1 478.15 407.62 45.16 o
4 8 1 3794.39 3480.13 122.33 o
5 8 1 1117.90 1179.48 79.09 o
6 8 1 4.22 100.23 73.09 o
-5 9 1 499.53 560.19 95.08 o
-4 9 1 6145.12 5557.48 223.52 o
-3 9 1 526.74 548.05 70.67 o
-2 9 1 941.86 882.39 65.40 o
-1 9 1 1403.94 1441.11 74.31 o
0 9 1 10426.47 11069.02 191.68 o
1 9 1 1114.37 1178.67 69.09 o
2 9 1 1179.81 1123.44 70.97 o
3 9 1 759.22 758.60 74.12 o
4 9 1 5135.38 5102.29 162.20 o
5 9 1 578.10 640.14 84.12 o
-3 10 1 1071.23 1022.77 91.22 o
-2 10 1 1247.15 1292.18 146.31 o
-1 10 1 189.68 168.33 79.32 o
0 10 1 6.30 -37.94 58.91 o
1 10 1 753.31 815.72 74.13 o
2 10 1 1080.83 975.95 102.16 o
3 10 1 1.58 23.84 75.40 o
-10 0 2 453.91 616.43 206.13 o
-9 0 2 1998.50 1592.80 155.28 o
-8 0 2 5141.74 5093.27 148.91 o
-7 0 2 1607.02 1642.59 72.76 o
-6 0 2 4370.16 4292.38 86.08 o
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-4 0 2 29203.28 28115.67 381.21 o
-3 0 2 1405.21 1285.28 27.04 o
-2 0 2 15450.37 15970.30 215.96 o
-1 0 2 23414.84 24137.30 321.55 o
1 0 2 3088.94 2944.03 45.85 o
2 0 2 1164.48 1288.96 41.97 o
3 0 2 6196.24 5709.23 83.43 o
4 0 2 4941.52 4656.06 68.20 o
5 0 2 13.87 29.14 18.96 o
6 0 2 8624.80 8703.31 172.88 o
7 0 2 155.97 137.26 35.55 o
8 0 2 1055.25 1041.52 75.41 o
9 0 2 9.16 89.56 95.07 o
10 0 2 494.14 535.25 128.02 o
-10 1 2 35.48 -98.12 98.12 o
-9 1 2 307.86 357.39 73.32 o
-8 1 2 14.06 114.27 44.71 o
-7 1 2 3.85 8.80 27.86 o
-6 1 2 947.93 1078.62 34.16 o
-5 1 2 681.70 589.70 18.33 o
-4 1 2 892.44 749.45 30.59 o
-3 1 2 754.45 604.48 13.50 o
-2 1 2 492.40 404.23 11.46 o
-1 1 2 7572.87 7649.80 123.75 o
0 1 2 1978.79 2119.33 23.34 o
1 1 2 9028.91 9522.33 114.24 o
2 1 2 27977.12 28449.24 269.35 o
3 1 2 296.61 266.07 10.31 o
4 1 2 6592.62 6419.21 65.90 o
5 1 2 4188.08 4133.58 56.54 o
6 1 2 1313.12 1653.21 57.59 o
7 1 2 289.65 408.85 39.83 o
8 1 2 1548.24 1576.26 76.68 o
9 1 2 606.91 681.89 67.06 o
-9 2 2 116.09 154.31 61.45 o
-8 2 2 194.92 313.59 59.90 o
-7 2 2 121.42 172.31 36.26 o
-6 2 2 4060.64 3905.56 75.14 o
-5 2 2 64.38 59.46 19.84 o
-4 2 2 360.50 284.42 16.01 o
-3 2 2 163.80 199.52 11.25 o
-2 2 2 27565.30 27523.50 372.95 o
-1 2 2 54.54 43.69 6.37 o
0 2 2 3043.18 3454.88 40.90 o
1 2 2 750.51 695.65 13.81 o
2 2 2 21664.94 21759.96 207.94 o
3 2 2 1086.79 1073.90 21.09 o
4 2 2 106.15 135.80 13.88 o
5 2 2 283.30 308.53 20.62 o
6 2 2 6844.87 6845.06 111.88 o
7 2 2 768.47 741.27 40.77 o
8 2 2 86.85 69.61 42.45 o
9 2 2 117.82 111.31 60.85 o
-9 3 2 29.42 171.96 67.28 o
-8 3 2 324.51 460.95 50.39 o
-7 3 2 825.33 1035.71 48.45 o
-6 3 2 1404.07 1591.70 53.34 o
-5 3 2 855.33 840.33 36.82 o
-4 3 2 9247.27 8999.43 159.59 o
-3 3 2 2331.58 2298.47 43.30 o
-2 3 2 5465.41 5259.16 62.86 o
-1 3 2 819.46 862.65 18.54 o
0 3 2 35827.45 40954.47 400.84 o
1 3 2 1241.06 1385.03 20.74 o
2 3 2 2379.20 2347.11 35.20 o
3 3 2 147.78 127.96 13.68 o
4 3 2 11317.64 11103.32 150.71 o
5 3 2 78.91 92.13 29.07 o
6 3 2 207.77 272.68 28.06 o
7 3 2 13.32 -12.83 33.91 o
8 3 2 2249.42 2183.43 109.34 o
9 3 2 31.43 35.23 87.40 o
-9 4 2 9.45 -21.30 77.92 o
-8 4 2 25.36 151.95 63.24 o
-7 4 2 551.01 623.85 41.26 o
-6 4 2 505.58 812.77 68.04 o
-5 4 2 161.81 178.15 36.94 o
-4 4 2 18.82 1.83 29.24 o
-3 4 2 522.06 513.86 29.88 o
-2 4 2 3847.73 3961.51 55.87 o
-1 4 2 2529.63 2697.21 40.81 o
0 4 2 3.99 -1.06 9.02 o
1 4 2 916.58 1010.18 28.92 o
2 4 2 8182.75 7952.12 89.14 o
3 4 2 678.67 697.24 22.92 o
4 4 2 1319.39 1420.05 58.18 o
5 4 2 318.45 411.55 36.08 o
6 4 2 2967.78 3018.97 87.05 o
7 4 2 243.32 437.71 44.72 o
8 4 2 130.60 279.37 60.92 o
9 4 2 113.31 113.49 91.10 o
-8 5 2 890.22 1081.32 110.19 o
-7 5 2 1806.65 1835.29 103.89 o
-6 5 2 7692.09 7697.82 178.65 o
-5 5 2 476.46 499.76 48.47 o
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-3 5 2 5880.72 5757.99 108.04 o
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-1 5 2 1057.64 1098.94 28.84 o
0 5 2 17033.29 18381.82 202.49 o
1 5 2 4313.27 4144.50 57.30 o
2 5 2 12149.74 11946.86 156.47 o
3 5 2 419.38 428.15 21.21 o
4 5 2 9872.94 9594.12 173.63 o
5 5 2 3376.05 3328.04 107.23 o
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7 5 2 16.99 63.59 71.94 o
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-7 6 2 175.09 263.31 67.41 o
-6 6 2 138.18 180.79 56.89 o
-5 6 2 764.53 851.61 60.13 o
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-2 6 2 261.08 274.43 25.20 o
-1 6 2 4142.16 3901.00 64.78 o
0 6 2 2552.75 2686.68 49.43 o
1 6 2 61.76 187.25 17.53 o
2 6 2 3354.87 3166.24 57.26 o
3 6 2 3240.93 3026.74 48.75 o
4 6 2 226.19 225.64 44.91 o
5 6 2 561.47 594.20 61.73 o
6 6 2 511.61 669.50 62.69 o
7 6 2 560.49 774.38 100.37 o
8 6 2 44.46 56.70 69.98 o
-7 7 2 38.09 27.90 73.12 o
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-4 7 2 3518.09 3290.28 134.73 o
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0 7 2 8429.44 8575.67 123.53 o
1 7 2 949.06 1118.67 38.84 o
2 7 2 303.50 297.46 32.61 o
3 7 2 573.58 608.83 34.48 o
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1 8 2 1344.59 1307.90 54.44 o
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3 8 2 189.05 203.12 41.77 o
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-3 10 2 257.79 352.87 105.83 o
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1 10 2 67.82 153.23 64.70 o
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-8 1 3 990.47 1187.17 65.83 o
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-5 1 3 4052.02 4008.47 54.30 o
-4 1 3 2257.67 2135.37 29.59 o
-3 1 3 5573.67 5541.79 62.80 o
-2 1 3 28787.95 30295.70 297.40 o
-1 1 3 5124.53 5135.67 55.84 o
0 1 3 5056.69 5194.27 78.08 o
1 1 3 2093.59 2173.61 45.69 o
2 1 3 83539.27 86878.88 813.51 o
3 1 3 3006.33 2692.97 33.48 o
4 1 3 130.05 150.39 10.54 o
5 1 3 141.67 123.95 12.73 o
6 1 3 5951.98 6214.36 93.82 o
7 1 3 402.37 495.00 34.48 o
8 1 3 887.79 943.62 57.46 o
9 1 3 354.03 316.98 63.14 o
-9 2 3 10.94 75.70 61.45 o
-8 2 3 651.67 819.29 59.06 o
-7 2 3 25.74 32.10 35.25 o
-6 2 3 332.87 628.57 66.11 o
-5 2 3 219.46 217.09 21.15 o
-4 2 3 2439.57 2161.89 35.56 o
-3 2 3 4520.41 4480.87 58.39 o
-2 2 3 8132.21 7974.93 99.97 o
-1 2 3 404.44 434.38 22.28 o
0 2 3 22757.91 25246.89 294.80 o
1 2 3 3072.28 2740.60 34.83 o
2 2 3 2150.27 1973.71 34.77 o
3 2 3 131.03 136.71 9.34 o
4 2 3 4790.59 4457.25 54.31 o
5 2 3 1464.41 1340.65 35.72 o
6 2 3 1799.38 2158.52 55.31 o
7 2 3 10.03 24.02 32.97 o
8 2 3 1593.14 1767.43 72.46 o
9 2 3 167.61 183.23 62.73 o
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