#------------------------------------------------------------------------------
#$Date: 2016-04-06 16:55:16 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181896 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/96/2239659.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2239659
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   10.9002
_cell_length_b                   10.9002
_cell_length_c                   10.9002
_exptl_crystal_F_000             1384.00
_reflns_d_resolution_high        0.7846
_cod_data_source_file            ru2059Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '    ch24 in P 21 3'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            343.53
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'z, x, y'
'y, z, x'
'-z+1/2, -x, y+1/2'
'-y, z+1/2, -x+1/2'
'z+1/2, -x+1/2, -y'
'-y+1/2, -z, x+1/2'
'-z, x+1/2, -y+1/2'
'y+1/2, -z+1/2, -x'
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
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1 0 2 1117.21 663.41 18.29 o
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0 1 2 18.79 314.29 25.67 o
1 1 2 13109.08 15040.83 147.21 o
-2 2 2 8693.94 7847.33 234.98 o
-1 2 2 7859.91 8259.16 130.18 o
0 2 2 183.70 173.06 27.19 o
1 2 2 5814.07 6204.84 112.69 o
2 2 2 7652.38 6763.98 245.92 o
1 0 3 118010.87 123042.51 769.17 o
2 0 3 82881.23 83746.27 1590.67 o
-2 1 3 20497.13 20822.01 263.93 o
-1 1 3 31196.50 32170.85 281.46 o
0 1 3 111086.36 113314.09 1056.08 o
1 1 3 30792.36 31888.84 301.00 o
2 1 3 22237.45 22734.04 192.03 o
-2 2 3 19401.40 19111.22 273.81 o
-1 2 3 62745.15 59149.99 834.37 o
0 2 3 4500.23 4607.53 90.48 o
1 2 3 66269.63 61596.71 948.21 o
2 2 3 20861.71 19941.24 259.22 o
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0 3 3 971.60 897.18 33.95 o
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0 0 4 60.76 94.90 29.82 o
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3 0 4 491.60 442.40 44.93 o
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0 1 4 183.68 214.62 22.45 o
1 1 4 776.77 755.82 22.14 o
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3 2 4 2080.15 2162.60 86.93 o
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3 3 4 7151.33 7343.05 280.37 o
-4 4 4 37161.01 38694.66 738.19 o
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0 4 4 27.04 29.08 54.27 o
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2 4 4 1573.95 1590.75 70.24 o
3 4 4 8162.87 7815.69 265.65 o
4 4 4 42607.02 39403.73 871.77 o
1 0 5 1098.44 1190.56 34.66 o
2 0 5 929.81 1302.79 49.70 o
3 0 5 23799.47 23224.83 409.24 o
4 0 5 2212.61 1863.14 74.10 o
-4 1 5 29804.96 29899.78 665.57 o
-3 1 5 6363.65 6278.77 171.13 o
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-1 1 5 2913.31 2720.90 65.41 o
0 1 5 854.65 1010.19 28.50 o
1 1 5 4013.06 3662.90 76.01 o
2 1 5 9741.31 9289.31 186.56 o
3 1 5 6550.11 6473.49 130.78 o
4 1 5 32435.55 33035.68 351.81 o
-4 2 5 14820.55 14568.24 261.37 o
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-1 2 5 3045.58 3033.37 137.13 o
0 2 5 502.83 338.84 28.07 o
1 2 5 4350.96 4410.51 143.64 o
2 2 5 10095.31 10770.56 214.02 o
3 2 5 23083.27 22763.91 328.58 o
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1 4 5 3036.98 2884.39 170.41 o
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0 5 5 9461.21 8891.09 171.59 o
1 5 5 174.54 177.48 61.34 o
2 5 5 533.70 530.84 53.51 o
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3 0 6 27466.12 27203.61 419.21 o
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0 1 6 30392.82 29340.61 265.63 o
1 1 6 25504.12 24577.40 228.89 o
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4 2 6 15535.32 15316.32 365.82 o
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1 3 6 32047.54 32016.18 514.81 o
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3 3 6 36.78 36.89 116.37 o
4 3 6 7901.83 7620.56 233.21 o
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-5 4 6 1187.06 1409.74 74.66 o
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0 4 6 7345.11 7868.27 165.21 o
1 4 6 2246.23 2223.20 74.78 o
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3 4 6 11547.78 11560.53 290.44 o
4 4 6 2934.47 2832.47 133.25 o
5 4 6 1731.72 1797.64 91.98 o
-5 5 6 157.12 -24.46 105.63 o
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-3 5 6 13448.39 12871.02 281.63 o
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-1 5 6 129.41 200.41 44.78 o
0 5 6 23055.68 25320.72 380.83 o
1 5 6 551.47 726.40 51.89 o
2 5 6 3131.43 3911.77 166.36 o
3 5 6 12478.34 12464.02 313.87 o
4 5 6 4843.49 5174.07 230.77 o
5 5 6 124.39 210.83 125.95 o
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