#------------------------------------------------------------------------------
#$Date: 2017-07-25 11:47:43 +0300 (Tue, 25 Jul 2017) $
#$Revision: 199051 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/80/2108093.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_2108093
_cell_angle_alpha                90.000
_cell_angle_beta                 93.424
_cell_angle_gamma                90.000
_cell_length_a                   7.3983
_cell_length_b                   10.4370
_cell_length_c                   41.8567
_exptl_crystal_F_000             2344.00
_reflns_d_resolution_high        0.8989
_cod_data_source_file            xm5006arc_3isup5.hkl
_cod_data_source_block           arc_3i
_shelx_title                     ' arc_3i_a.res in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            823.74
_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 92264.77 106555.27 7628.42 o
4 0 0 70588.84 71858.91 2122.34 o
6 0 0 12412.56 11442.82 630.63 o
1 1 0 11919.50 15253.24 886.57 o
2 1 0 13445.09 14541.40 528.49 o
3 1 0 6346.49 6451.92 198.13 o
4 1 0 95731.31 96443.82 2195.29 o
5 1 0 26797.45 23374.79 618.90 o
6 1 0 6084.70 5470.59 340.65 o
7 1 0 6234.29 7191.47 512.56 o
1 2 0 217085.38 239013.30 14733.75 o
2 2 0 17440.20 18683.66 474.03 o
3 2 0 160559.53 158356.33 5450.63 o
4 2 0 860.77 873.46 127.46 o
5 2 0 979.18 1180.60 169.68 o
6 2 0 81.22 34.81 192.33 o
7 2 0 13053.14 14265.25 904.96 o
1 3 0 16238.21 16589.27 428.55 o
2 3 0 1487.45 2086.93 149.57 o
3 3 0 187.91 101.81 117.54 o
4 3 0 102238.31 95798.37 2597.07 o
5 3 0 31143.15 30004.12 932.69 o
6 3 0 283.79 184.99 191.39 o
7 3 0 939.58 228.99 461.16 o
0 4 0 417313.62 461019.75 16353.54 o
1 4 0 10138.29 10296.89 294.71 o
2 4 0 3458.84 3712.97 165.86 o
3 4 0 18447.21 16842.30 476.14 o
4 4 0 3706.81 4597.58 265.20 o
5 4 0 10495.99 10251.83 368.14 o
6 4 0 1663.47 2003.67 250.95 o
7 4 0 1144.40 1818.75 338.77 o
1 5 0 56859.90 57386.34 1387.70 o
2 5 0 10445.91 9843.63 286.33 o
3 5 0 3395.57 3516.80 178.39 o
4 5 0 6.30 241.32 129.92 o
5 5 0 2462.76 2550.76 247.77 o
6 5 0 3696.21 4672.88 678.44 o
7 5 0 1325.54 1800.60 602.31 o
0 6 0 55259.09 58580.93 1900.78 o
1 6 0 55286.93 55919.84 1178.63 o
2 6 0 2774.73 2649.00 165.74 o
3 6 0 6609.49 5871.06 278.75 o
4 6 0 20610.93 20210.48 792.67 o
5 6 0 147.79 368.67 178.24 o
6 6 0 8603.84 9766.08 1668.87 o
1 7 0 46012.59 44674.59 1037.92 o
2 7 0 21498.11 19789.48 519.33 o
3 7 0 14959.24 13708.08 659.62 o
4 7 0 17559.21 17670.91 625.36 o
5 7 0 946.76 940.96 160.31 o
6 7 0 2306.06 2671.15 244.58 o
0 8 0 36990.16 35629.50 2318.99 o
1 8 0 1177.18 1760.82 220.09 o
2 8 0 511.81 625.77 163.46 o
3 8 0 20669.32 18779.36 584.02 o
4 8 0 10187.25 9875.94 360.52 o
5 8 0 1190.30 1347.80 192.37 o
1 9 0 22003.44 22469.38 720.45 o
2 9 0 12.42 246.72 177.85 o
3 9 0 1300.30 1287.60 189.63 o
4 9 0 162.11 600.51 153.14 o
5 9 0 7233.17 7391.05 538.30 o
0 10 0 0.74 53.61 228.21 o
1 10 0 27575.59 27647.30 941.18 o
2 10 0 7.56 -182.91 253.39 o
3 10 0 3032.40 2502.82 222.51 o
4 10 0 140.89 -12.62 237.84 o
1 11 0 243.58 517.02 385.86 o
2 11 0 4301.31 4588.18 398.67 o
-7 0 1 265.29 947.13 476.32 o
-5 0 1 7827.56 7177.01 395.92 o
-3 0 1 37216.84 36941.67 1029.58 o
-1 0 1 4655.98 5466.72 321.39 o
1 0 1 16124.19 16279.77 1716.58 o
3 0 1 7840.05 8965.01 369.10 o
5 0 1 761.41 828.14 250.07 o
7 0 1 474.91 427.95 446.59 o
-7 1 1 2917.74 3567.20 913.30 o
-6 1 1 236.22 579.67 204.97 o
-5 1 1 1492.33 2110.43 158.70 o
-4 1 1 17974.19 17579.12 431.88 o
-3 1 1 8528.00 8591.87 232.12 o
-2 1 1 14981.02 17595.24 676.92 o
-1 1 1 47212.64 57673.23 2909.66 o
0 1 1 11866.36 16605.25 598.56 o
1 1 1 11422.71 12928.18 591.67 o
2 1 1 1018.72 1376.01 131.23 o
3 1 1 17621.68 17203.75 412.65 o
4 1 1 69396.23 71005.05 1708.22 o
5 1 1 10077.35 10297.72 348.37 o
6 1 1 10158.03 10561.05 471.95 o
7 1 1 5269.55 7019.93 429.34 o
-7 2 1 2077.55 2746.66 511.89 o
-6 2 1 854.62 1066.87 229.73 o
-5 2 1 9167.00 8056.55 321.21 o
-4 2 1 886.23 1002.26 122.66 o
-3 2 1 30683.90 30214.09 897.55 o
-2 2 1 11108.40 11160.77 324.20 o
-1 2 1 3992.71 6140.74 414.96 o
0 2 1 279476.91 336084.69 11910.33 o
1 2 1 1242.26 1241.67 136.25 o
2 2 1 33309.92 34303.56 799.88 o
3 2 1 23142.86 23368.02 602.81 o
4 2 1 9526.93 8930.64 309.13 o
5 2 1 4281.81 4177.59 244.14 o
6 2 1 522.11 570.30 268.27 o
7 2 1 3590.79 4733.65 442.99 o
-7 3 1 237.36 638.01 464.11 o
-6 3 1 3.95 -97.25 187.28 o
-5 3 1 7522.54 7109.04 304.56 o
-4 3 1 706.13 924.48 129.53 o
-3 3 1 6950.04 7700.43 284.59 o
-2 3 1 3811.61 4142.57 194.34 o
-1 3 1 86497.36 97434.63 2312.23 o
0 3 1 86900.77 101485.33 3234.40 o
1 3 1 8166.74 8974.80 265.51 o
2 3 1 31949.07 31879.46 952.77 o
3 3 1 4708.05 5191.07 356.89 o
4 3 1 11392.20 12905.45 497.10 o
5 3 1 18430.90 19348.97 609.23 o
6 3 1 20.83 182.05 193.95 o
7 3 1 546.48 527.18 288.28 o
-7 4 1 3228.07 3093.79 449.20 o
-6 4 1 780.98 1298.34 313.63 o
-5 4 1 989.90 1149.78 182.09 o
-4 4 1 21173.90 19803.43 529.40 o
-3 4 1 2855.30 3080.75 206.68 o
-2 4 1 1.36 -12.36 96.60 o
-1 4 1 88.80 221.68 91.95 o
0 4 1 46514.74 55062.91 1199.71 o
1 4 1 156263.48 167330.19 3971.55 o
2 4 1 13779.82 12737.22 307.12 o
3 4 1 130.25 373.69 107.34 o
4 4 1 7655.49 7915.80 280.94 o
5 4 1 9521.31 9367.75 381.14 o
6 4 1 5906.14 5611.21 367.71 o
7 4 1 576.04 652.35 203.97 o
-7 5 1 690.31 1087.13 308.10 o
-6 5 1 793.74 778.28 637.12 o
-5 5 1 5919.31 5429.98 315.22 o
-4 5 1 11160.76 11155.41 394.32 o
-3 5 1 49.22 206.15 104.54 o
-2 5 1 6451.22 6417.08 229.09 o
-1 5 1 57052.52 56170.79 1299.75 o
0 5 1 845.63 1465.32 115.54 o
1 5 1 202.04 530.29 113.01 o
2 5 1 18816.51 18999.66 540.11 o
3 5 1 349.45 507.16 148.09 o
4 5 1 20493.30 17737.50 840.21 o
5 5 1 20791.62 20120.66 728.08 o
6 5 1 8891.58 11050.44 612.68 o
7 5 1 923.98 1095.01 233.44 o
-7 6 1 4.96 -24.35 275.95 o
-6 6 1 344.63 453.44 220.82 o
-5 6 1 4048.79 3907.12 368.78 o
-4 6 1 42.66 758.62 212.42 o
-3 6 1 2621.91 2921.23 269.20 o
-2 6 1 847.26 946.82 116.04 o
-1 6 1 673.74 929.49 109.50 o
0 6 1 16436.60 17597.14 441.98 o
1 6 1 40038.11 41467.57 933.12 o
2 6 1 17014.94 16071.45 492.69 o
3 6 1 11807.12 11117.64 603.13 o
4 6 1 492.27 994.03 181.78 o
5 6 1 633.89 574.09 188.69 o
6 6 1 443.40 555.28 953.65 o
7 6 1 288.29 714.23 381.46 o
-6 7 1 535.36 1000.86 186.12 o
-5 7 1 1380.32 1509.10 160.43 o
-4 7 1 1750.37 1596.97 179.17 o
-3 7 1 391.24 606.01 290.02 o
-2 7 1 3057.43 2845.76 163.22 o
-1 7 1 839.80 1099.36 122.59 o
0 7 1 307.97 363.03 115.58 o
1 7 1 1526.16 1563.00 129.38 o
2 7 1 1789.67 1739.54 199.48 o
3 7 1 10072.32 9768.39 380.72 o
4 7 1 97.27 1727.50 524.46 o
5 7 1 46.48 57.12 128.82 o
6 7 1 40.69 107.67 350.40 o
-5 8 1 1761.96 2025.99 213.96 o
-4 8 1 211.27 353.31 127.11 o
-3 8 1 1613.32 2023.85 192.16 o
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0 8 1 4203.80 4909.33 500.67 o
1 8 1 7550.19 7002.81 315.43 o
2 8 1 649.41 790.05 186.19 o
3 8 1 22066.10 21291.04 880.68 o
4 8 1 277.06 462.20 218.28 o
5 8 1 7.34 199.47 138.10 o
-5 9 1 225.33 226.11 210.87 o
-4 9 1 5346.65 5494.61 280.29 o
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-2 9 1 2929.94 3551.03 282.76 o
-1 9 1 33284.51 32179.33 1026.02 o
0 9 1 243.03 218.71 155.57 o
1 9 1 6.47 128.12 160.31 o
2 9 1 3796.26 4058.53 248.27 o
3 9 1 8126.25 8250.62 400.94 o
4 9 1 405.20 567.93 160.28 o
5 9 1 1240.88 2796.17 370.20 o
-4 10 1 1564.23 1440.06 229.32 o
-3 10 1 1.52 -157.52 157.52 o
-2 10 1 6222.23 8037.18 551.51 o
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0 10 1 7545.86 7415.01 332.94 o
1 10 1 539.87 905.72 192.55 o
2 10 1 152.99 278.86 369.29 o
3 10 1 684.24 711.95 179.94 o
4 10 1 40.26 -399.43 399.43 o
-2 11 1 1030.04 1330.37 269.07 o
-1 11 1 1007.52 1177.42 356.13 o
0 11 1 2026.87 2446.60 267.50 o
1 11 1 352.28 553.23 306.39 o
2 11 1 4068.22 3344.45 366.15 o
-6 0 2 214.03 -157.36 564.08 o
-4 0 2 287.38 525.14 155.51 o
-2 0 2 25815.88 31731.13 2353.70 o
0 0 2 10643.43 10152.56 779.16 o
2 0 2 7238.40 7058.31 434.30 o
4 0 2 125710.62 123624.06 3955.94 o
6 0 2 1298.74 1424.91 288.17 o
-7 1 2 5853.88 6498.38 503.48 o
-6 1 2 1413.38 2381.80 241.18 o
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-3 1 2 26588.38 28162.37 568.55 o
-2 1 2 30652.76 36233.74 1324.80 o
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0 1 2 24689.04 31360.66 1296.43 o
1 1 2 4603.72 5312.83 315.49 o
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1 3 2 290.97 510.76 123.86 o
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7 4 2 26.40 419.69 190.31 o
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1 5 2 2650.46 2817.13 153.07 o
2 5 2 88126.55 89547.87 2620.55 o
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