#------------------------------------------------------------------------------
#$Date: 2018-04-30 19:24:07 +0300 (Mon, 30 Apr 2018) $
#$Revision: 207545 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/24/2242446.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_2242446
_cell_angle_alpha                90.000
_cell_angle_beta                 100.557
_cell_angle_gamma                90.000
_cell_length_a                   3.9431
_cell_length_b                   10.7566
_cell_length_c                   9.9643
_exptl_crystal_F_000             356.00
_reflns_d_resolution_high        0.7544
_cod_data_source_file            su5433Mo-Absorb7-raw-Ciso_gsup8.hkl
_cod_data_source_block           Mo-Absorb7-raw-Ciso_g
_shelx_title                     ' '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            160.35
_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 0 807.27 855.78 75.34 o
4 0 0 1158.20 920.36 174.22 o
1 1 0 5617.92 6364.80 109.90 o
2 1 0 1438.01 1488.39 60.51 o
3 1 0 1400.03 1412.31 100.26 o
4 1 0 785.16 698.49 99.53 o
5 1 0 1.38 -198.10 198.10 o
1 2 0 7681.91 7619.43 336.90 o
2 2 0 1358.33 1401.01 69.24 o
3 2 0 698.19 641.05 64.39 o
4 2 0 2.29 -25.60 50.19 o
5 2 0 74.26 229.85 130.34 o
1 3 0 5085.76 5400.38 248.16 o
2 3 0 10936.19 10283.44 203.22 o
3 3 0 60.16 13.63 33.11 o
4 3 0 19.02 265.33 154.65 o
5 3 0 43.54 252.37 189.36 o
1 4 0 897.20 1888.94 251.56 o
2 4 0 307.57 229.51 39.78 o
3 4 0 594.89 573.30 99.23 o
4 4 0 0.65 -9.86 117.46 o
2 5 0 923.55 1588.72 146.37 o
3 5 0 740.75 527.33 79.36 o
4 5 0 124.38 342.65 253.11 o
2 6 0 266.17 123.62 197.24 o
3 6 0 2075.89 3024.85 272.70 o
4 6 0 324.42 501.01 418.00 o
3 7 0 1022.78 384.83 879.22 o
4 7 0 8.60 3797.07 1905.30 o
-5 0 1 18.74 -4.22 383.75 o
-3 0 1 633.78 753.73 94.68 o
-1 0 1 1127.77 1352.74 38.21 o
1 0 1 25711.63 26878.33 428.26 o
3 0 1 99.86 72.17 55.37 o
-5 1 1 51.00 116.87 109.50 o
-4 1 1 308.17 260.47 54.36 o
-3 1 1 3972.72 4000.38 145.21 o
-2 1 1 4826.98 5217.50 98.98 o
-1 1 1 222.76 297.31 19.96 o
0 1 1 348.53 447.03 23.51 o
1 1 1 20063.71 22927.90 262.05 o
2 1 1 7575.32 8185.44 204.50 o
3 1 1 444.39 490.26 67.86 o
4 1 1 0.17 15.99 87.36 o
5 1 1 2.05 606.51 223.73 o
-5 2 1 84.38 176.01 146.41 o
-4 2 1 2.77 -59.35 72.99 o
-3 2 1 467.00 493.67 40.70 o
-2 2 1 773.15 806.16 40.78 o
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0 2 1 3718.49 4141.96 66.85 o
1 2 1 316.15 304.14 21.19 o
2 2 1 572.41 504.09 72.06 o
3 2 1 1750.88 1660.96 141.87 o
4 2 1 327.94 227.75 95.75 o
5 2 1 3.89 655.50 421.32 o
-5 3 1 134.09 231.12 305.67 o
-4 3 1 1.97 -22.50 128.52 o
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-2 3 1 1021.33 971.36 92.38 o
-1 3 1 429.83 502.23 72.75 o
0 3 1 3362.88 4694.42 388.41 o
1 3 1 519.13 547.71 38.01 o
2 3 1 99.48 71.83 24.35 o
3 3 1 2536.09 2786.28 207.61 o
4 3 1 160.73 159.70 86.51 o
-4 4 1 945.66 944.83 381.06 o
-3 4 1 56.66 130.33 55.61 o
-2 4 1 4593.10 6720.14 563.47 o
-1 4 1 4120.47 6894.65 633.01 o
0 4 1 21857.65 33700.18 1237.72 o
1 4 1 49.41 1.05 16.40 o
2 4 1 3304.42 3387.77 118.82 o
3 4 1 375.39 346.69 84.88 o
4 4 1 138.61 62.03 118.99 o
-4 5 1 221.75 456.11 163.59 o
-3 5 1 1324.78 1666.14 190.12 o
0 5 1 4934.99 906.01 303.30 o
1 5 1 4876.80 5736.58 226.54 o
2 5 1 1691.39 1680.91 103.88 o
3 5 1 295.19 154.02 57.24 o
4 5 1 510.02 657.08 185.68 o
-4 6 1 432.04 204.45 220.63 o
1 6 1 2161.01 2878.99 295.96 o
2 6 1 3608.66 4216.56 198.76 o
3 6 1 297.62 234.04 73.85 o
4 6 1 293.20 151.87 147.15 o
2 7 1 3016.14 5805.60 397.25 o
3 7 1 20.51 275.45 114.20 o
4 7 1 64.56 -180.04 218.94 o
3 8 1 30.53 -11.02 749.60 o
-4 0 2 292.98 256.04 134.56 o
-2 0 2 19250.25 20685.11 368.48 o
2 0 2 1954.12 2084.60 184.05 o
4 0 2 54.12 103.75 253.33 o
-5 1 2 133.47 134.28 96.34 o
-4 1 2 47.64 12.54 72.63 o
-3 1 2 678.39 730.27 63.33 o
-2 1 2 176.07 232.28 34.44 o
-1 1 2 317.87 350.85 24.94 o
1 1 2 3417.15 3579.94 238.70 o
2 1 2 7134.01 7063.75 310.25 o
3 1 2 1596.81 1469.52 180.96 o
4 1 2 0.50 259.88 166.68 o
-5 2 2 201.56 126.25 113.89 o
-4 2 2 170.62 204.13 72.24 o
-3 2 2 522.12 441.06 36.40 o
-2 2 2 1084.81 1241.59 83.56 o
-1 2 2 14364.21 16646.75 286.50 o
0 2 2 7775.77 8650.13 109.98 o
1 2 2 238.65 253.34 25.42 o
2 2 2 1071.21 1171.74 110.82 o
3 2 2 731.94 967.18 136.21 o
4 2 2 1064.16 892.94 229.79 o
-5 3 2 16.06 -64.17 301.94 o
-4 3 2 1683.67 1824.80 393.17 o
-3 3 2 826.22 804.69 69.37 o
-2 3 2 2265.79 2192.60 203.91 o
-1 3 2 2178.60 2134.77 77.16 o
0 3 2 17886.69 19110.93 186.99 o
1 3 2 708.89 750.85 49.72 o
2 3 2 1201.10 1403.26 113.75 o
3 3 2 300.78 151.62 116.39 o
4 3 2 56.21 -4.06 96.06 o
-4 4 2 0.27 -11.31 60.34 o
-3 4 2 4.06 186.89 64.01 o
-2 4 2 110.92 58.49 19.49 o
-1 4 2 1533.53 1330.85 90.49 o
0 4 2 807.85 767.24 44.61 o
1 4 2 10382.29 9405.01 191.65 o
2 4 2 385.05 485.40 58.27 o
3 4 2 1844.01 1836.58 317.09 o
4 4 2 165.99 56.66 213.88 o
-4 5 2 172.58 -15.17 95.27 o
-3 5 2 4294.46 4213.74 321.40 o
-2 5 2 459.89 441.36 65.21 o
-1 5 2 5371.28 6392.21 327.40 o
0 5 2 100.97 -16.34 27.90 o
1 5 2 2580.75 2004.80 90.94 o
2 5 2 2505.89 2355.59 127.48 o
3 5 2 202.08 226.49 101.66 o
4 5 2 7.15 -94.03 153.59 o
-2 6 2 2217.12 3907.66 360.52 o
-1 6 2 4206.06 4910.06 1148.13 o
0 6 2 2938.14 4151.98 299.46 o
1 6 2 3795.38 3205.82 199.03 o
2 6 2 152.17 114.84 38.37 o
3 6 2 16.83 -31.19 116.60 o
4 6 2 252.11 104.58 249.32 o
0 7 2 802.73 449.21 359.52 o
1 7 2 2081.41 2687.54 243.12 o
2 7 2 22.76 26.54 51.70 o
3 7 2 2063.92 2108.28 293.31 o
4 7 2 6.06 94.43 164.19 o
1 8 2 2307.76 266.33 149.17 o
2 8 2 457.42 607.15 146.64 o
3 8 2 33.30 401.39 368.08 o
3 9 2 106.64 -2234.32 2234.32 o
-5 0 3 0.02 102.81 84.47 o
-3 0 3 48.01 65.07 38.38 o
-1 0 3 13741.21 -49.35 97.02 o
-5 1 3 220.26 207.97 142.06 o
-4 1 3 1211.16 1013.63 135.58 o
-3 1 3 690.73 884.58 79.39 o
-2 1 3 44.11 65.75 14.40 o
-1 1 3 11772.85 13055.22 302.34 o
0 1 3 6143.35 1253.84 181.54 o
1 1 3 629.37 713.48 187.22 o
2 1 3 537.56 698.14 121.86 o
3 1 3 1.74 -49.82 55.16 o
-5 2 3 122.04 197.31 217.94 o
-4 2 3 8.15 67.05 62.66 o
-3 2 3 4175.88 4179.24 149.32 o
-2 2 3 1388.11 1590.39 111.68 o
-1 2 3 208.57 150.89 19.20 o
0 2 3 9454.22 10564.55 225.29 o
1 2 3 2462.19 2563.39 227.32 o
2 2 3 890.65 900.29 115.95 o
3 2 3 130.04 43.01 83.49 o
4 2 3 650.02 412.89 341.09 o
-5 3 3 42.77 -58.34 333.12 o
-4 3 3 49.16 33.85 71.50 o
-3 3 3 1049.40 798.97 126.98 o
-2 3 3 789.67 795.86 84.88 o
-1 3 3 1012.88 1077.72 64.06 o
0 3 3 117.71 126.45 18.16 o
1 3 3 13795.75 14775.71 288.51 o
2 3 3 2227.67 2291.86 172.39 o
3 3 3 588.43 800.54 201.33 o
4 3 3 55.21 26.25 97.83 o
-4 4 3 94.39 134.23 72.91 o
-3 4 3 565.46 560.00 81.12 o
-2 4 3 9383.44 9234.14 340.17 o
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0 4 3 756.11 502.79 51.38 o
1 4 3 1350.99 1690.46 104.35 o
2 4 3 129.54 213.16 59.30 o
3 4 3 61.90 291.74 119.30 o
4 4 3 104.56 23.21 147.82 o
-4 5 3 12.02 193.95 112.42 o
-3 5 3 493.92 555.71 96.60 o
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-1 5 3 1499.54 1247.94 87.25 o
0 5 3 1397.40 1661.04 82.89 o
1 5 3 1226.27 1295.45 99.72 o
2 5 3 4654.16 4608.86 234.18 o
3 5 3 32.44 -52.53 140.27 o
4 5 3 183.98 545.01 210.39 o
-4 6 3 9.08 206.83 311.79 o
-3 6 3 588.05 672.77 161.06 o
-2 6 3 417.33 629.27 144.52 o
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0 6 3 7534.67 7534.23 535.87 o
1 6 3 6.37 0.01 43.77 o
2 6 3 422.64 435.90 100.82 o
3 6 3 498.89 579.66 193.21 o
4 6 3 229.82 237.57 239.29 o
-3 7 3 33.60 -283.82 374.59 o
-2 7 3 943.28 1830.19 231.01 o
-1 7 3 239.45 319.43 66.40 o
0 7 3 4496.62 4921.96 222.76 o
1 7 3 561.03 644.27 92.57 o
2 7 3 103.90 62.89 56.05 o
3 7 3 0.09 2.80 109.55 o
-1 8 3 2273.98 2681.90 340.48 o
0 8 3 6569.89 9244.73 368.77 o
1 8 3 281.27 533.38 97.37 o
2 8 3 617.90 689.65 125.52 o
3 8 3 814.13 1061.33 256.28 o
1 9 3 399.88 -102.27 102.27 o
2 9 3 1600.15 2031.64 280.80 o
3 9 3 0.38 154.11 250.83 o
2 10 3 402.08 1015.56 654.76 o
-4 0 4 1512.02 1148.03 182.12 o
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-5 1 4 213.32 144.93 162.73 o
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3 6 4 126.19 157.12 105.53 o
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3 8 4 0.90 5.85 135.64 o
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1 10 4 68.28 41.45 272.67 o
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1 3 5 3781.85 4326.71 264.58 o
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