#------------------------------------------------------------------------------
#$Date: 2018-12-12 05:38:18 +0200 (Wed, 12 Dec 2018) $
#$Revision: 212552 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/27/2242784.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_2242784
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   3.5342
_cell_length_b                   3.9822
_cell_length_c                   12.8414
_exptl_crystal_F_000             292.00
_reflns_d_resolution_high        0.7121
_cod_data_source_file            wm5474Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' HR2150_0ma_a.res in Immm'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            197.86
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, z+1/2'
'-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 32228.96 32833.54 212.01 o
4 0 0 9941.26 9776.60 108.90 o
1 1 0 39148.08 39476.84 108.49 o
3 1 0 14358.20 14331.45 72.95 o
0 2 0 37899.57 37074.65 146.22 o
2 2 0 21646.25 21343.29 82.39 o
4 2 0 8205.98 8251.01 76.04 o
1 3 0 17022.46 16785.05 71.71 o
3 3 0 9144.93 9356.66 71.72 o
0 4 0 13780.45 13864.85 94.46 o
2 4 0 10267.08 10169.26 71.41 o
1 5 0 7117.24 7065.00 63.73 o
1 0 1 1028.26 1059.98 6.81 o
3 0 1 134.94 125.23 7.59 o
0 1 1 76.45 69.68 2.19 o
2 1 1 41.53 48.46 2.87 o
4 1 1 26.47 35.33 7.34 o
1 2 1 434.17 436.75 6.26 o
3 2 1 108.60 111.13 6.88 o
0 3 1 40.69 38.41 5.75 o
2 3 1 33.65 34.02 5.64 o
4 3 1 30.33 30.26 11.70 o
1 4 1 158.24 142.40 8.13 o
3 4 1 98.51 100.02 11.90 o
0 5 1 41.14 53.48 13.35 o
2 5 1 42.05 47.23 12.03 o
0 0 2 2566.29 2535.14 12.99 o
2 0 2 1110.31 1076.06 11.45 o
4 0 2 346.82 356.60 18.33 o
1 1 2 407.29 353.16 4.29 o
3 1 2 259.31 266.18 7.18 o
0 2 2 1416.89 1406.25 12.64 o
2 2 2 800.29 789.52 9.52 o
4 2 2 316.59 333.65 15.02 o
1 3 2 311.64 319.71 7.37 o
3 3 2 217.52 190.90 10.62 o
0 4 2 625.76 612.11 15.98 o
2 4 2 473.21 491.11 13.88 o
1 5 2 224.83 224.18 12.88 o
1 0 3 28813.03 29215.94 83.40 o
3 0 3 11208.99 11177.16 65.73 o
0 1 3 22428.47 21548.91 60.37 o
2 1 3 13767.53 13595.58 39.75 o
4 1 3 5779.95 5817.48 39.57 o
1 2 3 18531.05 18421.53 48.02 o
3 2 3 8972.86 8899.56 42.65 o
0 3 3 11326.88 11285.49 51.61 o
2 3 3 8424.95 8386.58 38.85 o
4 3 3 4108.16 4146.81 45.25 o
1 4 3 8613.34 8528.92 39.91 o
3 4 3 5202.11 5247.31 45.22 o
0 5 3 5141.89 5071.07 51.06 o
2 5 3 4124.82 4126.73 41.83 o
0 0 4 859.20 987.29 9.33 o
2 0 4 551.43 572.05 11.22 o
4 0 4 236.84 238.24 15.92 o
1 1 4 1896.69 1984.55 10.02 o
3 1 4 646.21 658.01 11.02 o
0 2 4 521.29 483.01 9.36 o
2 2 4 382.20 373.75 8.29 o
4 2 4 172.90 188.44 12.60 o
1 3 4 721.62 711.07 11.36 o
3 3 4 345.46 318.65 12.77 o
0 4 4 188.08 211.55 12.95 o
2 4 4 147.21 148.94 10.60 o
1 5 4 197.84 228.94 13.88 o
1 0 5 7998.89 7974.47 31.29 o
3 0 5 2857.85 2861.36 28.62 o
0 1 5 5230.63 5184.78 23.70 o
2 1 5 3134.41 3091.51 15.64 o
4 1 5 1298.34 1284.49 22.93 o
1 2 5 5058.27 4993.09 21.13 o
3 2 5 2299.08 2281.07 22.43 o
0 3 5 2611.40 2652.72 25.26 o
2 3 5 1925.37 1910.67 19.48 o
1 4 5 2344.46 2314.56 24.44 o
3 4 5 1423.82 1449.08 29.88 o
0 5 5 1265.31 1199.47 34.31 o
0 0 6 31123.91 32574.23 137.32 o
2 0 6 17107.72 17039.71 69.16 o
4 0 6 6284.34 6307.04 63.95 o
1 1 6 18866.05 18873.07 47.54 o
3 1 6 8588.83 8575.35 40.61 o
0 2 6 19475.65 19240.36 76.13 o
2 2 6 12551.71 12547.60 45.59 o
4 2 6 5270.78 5319.20 46.38 o
1 3 6 10002.17 9966.75 38.97 o
3 3 6 5750.76 5764.38 41.37 o
0 4 6 8630.31 8724.16 59.15 o
2 4 6 6586.83 6656.85 45.47 o
1 5 6 4593.16 4647.92 42.34 o
1 0 7 294.84 317.19 7.50 o
3 0 7 287.49 269.19 11.79 o
0 1 7 903.62 928.86 11.42 o
2 1 7 664.20 667.86 10.03 o
4 1 7 292.44 300.34 14.98 o
1 2 7 274.32 285.68 7.20 o
3 2 7 226.70 243.51 11.59 o
0 3 7 524.62 495.91 15.86 o
2 3 7 399.95 411.42 12.00 o
1 4 7 150.45 139.28 10.21 o
0 5 7 176.36 163.47 19.71 o
0 0 8 10474.45 10792.75 69.37 o
2 0 8 6673.40 6604.90 38.97 o
4 0 8 2809.17 2807.21 53.17 o
1 1 8 6461.24 6460.16 25.84 o
3 1 8 3504.66 3498.37 27.33 o
0 2 8 7481.35 7503.12 42.30 o
2 2 8 5237.62 5222.60 29.11 o
4 2 8 2406.35 2425.48 39.12 o
1 3 8 4021.75 4073.86 26.87 o
3 3 8 2489.08 2567.84 32.52 o
0 4 8 3890.53 3907.72 44.83 o
2 4 8 3038.47 3039.97 36.07 o
1 0 9 7118.77 7121.49 37.40 o
3 0 9 3787.08 3771.56 38.84 o
0 1 9 5509.31 5598.17 32.16 o
2 1 9 4109.43 4129.03 24.13 o
4 1 9 2044.56 2016.66 39.66 o
1 2 9 5543.68 5568.46 26.92 o
3 2 9 3188.87 3258.42 32.36 o
0 3 9 3629.93 3664.49 36.19 o
2 3 9 2869.54 2904.84 27.61 o
1 4 9 3186.39 3169.76 32.26 o
0 0 10 1213.75 1251.47 30.23 o
2 0 10 885.61 869.19 19.11 o
4 0 10 380.48 332.56 27.46 o
1 1 10 1660.45 1675.12 15.77 o
3 1 10 825.03 797.56 18.30 o
0 2 10 876.80 830.20 17.46 o
2 2 10 660.56 644.00 14.28 o
1 3 10 898.08 868.09 16.67 o
3 3 10 476.41 441.75 18.04 o
0 4 10 359.33 378.06 20.93 o
2 4 10 272.54 276.51 16.04 o
1 0 11 10537.38 10683.71 57.51 o
3 0 11 5867.43 5718.76 56.70 o
0 1 11 9068.92 9209.21 52.36 o
2 1 11 6774.04 6703.80 35.67 o
1 2 11 8369.19 8422.83 38.30 o
3 2 11 4934.44 5020.79 41.83 o
0 3 11 5958.30 5908.57 50.25 o
2 3 11 4687.75 4765.64 37.73 o
1 4 11 4845.31 4957.78 41.40 o
0 0 12 4353.24 4387.06 48.61 o
2 0 12 3120.13 3068.54 35.52 o
1 1 12 2931.56 2944.53 22.09 o
3 1 12 1761.28 1773.19 31.18 o
0 2 12 3454.49 3534.65 34.80 o
2 2 12 2596.19 2620.73 29.23 o
1 3 12 2021.14 2012.17 34.51 o
0 4 12 2080.49 2008.90 52.85 o
1 0 13 90.57 86.85 10.72 o
3 0 13 69.94 65.46 16.96 o
0 1 13 194.53 184.81 12.36 o
2 1 13 151.90 151.03 10.15 o
1 2 13 75.59 80.97 8.85 o
0 3 13 114.11 99.75 14.83 o
2 3 13 86.82 87.32 12.94 o
0 0 14 10298.11 10110.79 93.78 o
2 0 14 7895.84 7730.02 73.85 o
1 1 14 8107.40 7998.94 44.95 o
3 1 14 5068.18 5037.45 50.84 o
0 2 14 8498.27 8527.54 67.36 o
2 2 14 6632.77 6561.08 52.44 o
1 3 14 5690.15 5774.50 45.52 o
1 0 15 422.67 433.34 22.94 o
0 1 15 238.76 228.53 17.54 o
2 1 15 211.06 164.61 14.11 o
1 2 15 391.02 410.06 17.03 o
0 3 15 217.74 236.96 20.96 o
0 0 16 38.14 30.97 18.49 o
2 0 16 30.66 29.09 18.12 o
1 1 16 77.03 86.63 11.27 o
0 2 16 28.84 44.13 16.23 o
1 0 17 7095.74 6959.29 75.86 o
0 1 17 6490.71 6505.83 70.57 o
0 0 18 162.78 105.04 31.93 o