#------------------------------------------------------------------------------
#$Date: 2016-04-06 16:45:17 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181877 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/58/2105804.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_2105804
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.0444(3)
_cell_length_b                   4.0444(3)
_cell_length_c                   22.8267(16)
_exptl_crystal_F_000             393
_reflns_d_resolution_high        0.7316
_cod_data_source_file            bp5060VIIsup8.hkl
_cod_data_source_block           VII
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '   '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            225.70
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+1/3'
'x-y+2/3, -y+1/3, -z+1/3'
'-x+2/3, -x+y+1/3, -z+1/3'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z+1/3'
'-x+y+2/3, y+1/3, z+1/3'
'x+2/3, x-y+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+2/3'
'x-y+1/3, -y+2/3, -z+2/3'
'-x+1/3, -x+y+2/3, -z+2/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+2/3'
'-x+y+1/3, y+2/3, z+2/3'
'x+1/3, x-y+2/3, z+2/3'
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
-1 2 0 43020.00 39784.20 129.75 o
0 3 0 20350.00 21524.50 158.76 o
-2 4 0 15521.60 16754.10 175.81 o
-1 5 0 7654.30 7509.87 243.43 o
-1 1 1 198.58 144.06 8.72 o
0 2 1 103.89 34.71 7.57 o
-2 3 1 86.10 2.74 11.52 <
-4 4 1 99.32 37.67 13.65 <
-1 4 1 89.53 11.08 5.98 <
-3 5 1 110.15 34.44 9.87 o
0 1 2 11572.60 12116.00 86.37 o
-2 2 2 7652.51 7825.13 100.90 o
-1 3 2 5339.92 5494.66 55.83 o
-3 4 2 3070.09 2880.89 68.44 o
0 4 2 2442.76 2239.61 97.12 o
-2 5 2 1978.58 1654.15 80.67 o
-1 2 3 515.01 518.99 12.39 o
-3 3 3 421.10 421.93 20.95 o
0 3 3 421.10 432.35 19.91 o
-2 4 3 408.52 402.90 28.79 o
-4 5 3 372.86 347.51 42.72 o
-1 5 3 372.86 352.01 40.14 o
-1 1 4 56695.00 50942.60 393.41 o
0 2 4 32436.60 31814.20 141.76 o
-2 3 4 22491.40 23256.60 140.66 o
-4 4 4 10190.30 10781.50 157.82 o
-1 4 4 12962.40 13700.90 130.52 o
-3 5 4 8099.25 8916.26 207.07 o
0 1 5 1846.64 1861.33 28.95 o
-2 2 5 894.33 701.66 23.25 o
-1 3 5 576.65 472.21 16.01 o
-3 4 5 288.39 222.97 24.73 o
0 4 5 215.76 130.35 30.76 o
-2 5 5 169.81 109.73 15.08 o
0 0 6 16021.50 18158.00 416.11 o
-1 2 6 10020.10 10213.30 61.91 o
-3 3 6 5082.69 5019.26 91.96 o
0 3 6 5082.69 5003.31 67.78 o
-2 4 6 3910.99 3766.09 90.21 o
-4 5 6 2020.07 1777.54 155.96 o
-1 5 6 2020.07 1675.48 89.61 o
-1 1 7 2350.80 2431.54 38.55 o
0 2 7 1619.77 1646.64 30.55 o
-2 3 7 1330.95 1358.46 37.02 o
-4 4 7 929.71 913.06 65.97 o
-1 4 7 1034.65 1052.96 41.51 o
-3 5 7 836.33 876.05 49.79 o
0 1 8 36534.50 34472.10 129.36 o
-2 2 8 23141.80 24421.30 140.39 o
-1 3 8 16598.30 17643.90 111.87 o
-3 4 8 9776.70 10289.70 147.85 o
0 4 8 7723.30 8491.70 222.15 o
-2 5 8 6162.09 6553.76 124.87 o
0 0 9 3970.67 5194.09 181.02 o
-1 2 9 2087.20 1897.58 28.95 o
-3 3 9 988.08 866.67 38.11 o
0 3 9 988.08 919.75 33.84 o
-2 4 9 714.98 684.06 36.80 o
-1 5 9 303.34 259.17 40.96 o
-1 1 10 15662.60 16194.80 133.04 o
0 2 10 10508.00 10971.80 88.78 o
-2 3 10 7660.36 7850.69 95.31 o
-4 4 10 3648.68 3569.33 117.25 o
-1 4 10 4581.07 4631.23 82.92 o
-3 5 10 2938.59 2861.70 130.30 o
0 1 11 2962.59 2967.59 50.45 o
-2 2 11 2247.79 2265.16 58.84 o
-1 3 11 1874.74 1936.19 35.75 o
-3 4 11 1418.05 1422.51 57.36 o
0 4 11 1247.70 1299.95 73.81 o
-2 5 11 1099.14 1130.11 53.52 o
0 0 12 23234.10 29385.60 422.53 o
-1 2 12 15499.20 17223.10 89.88 o
-3 3 12 8643.91 9258.78 163.91 o
0 3 12 8643.91 9230.21 159.85 o
-2 4 12 6760.06 7113.88 111.98 o
-1 1 13 2747.45 2578.18 58.62 o
0 2 13 1850.30 1744.14 47.87 o
-2 3 13 1321.15 1299.51 38.06 o
-4 4 13 529.62 549.10 72.33 o
-1 4 13 708.06 653.18 33.67 o
0 1 14 16817.00 16870.10 151.30 o
-2 2 14 12068.70 12341.60 149.16 o
-1 3 14 9131.06 9619.45 101.07 o
-3 4 14 5617.90 5894.21 122.78 o
0 4 14 4490.90 4586.86 184.31 o
0 0 15 2467.72 2802.74 92.73 o
-1 2 15 1989.22 2060.78 36.74 o
-3 3 15 1481.94 1600.85 84.67 o
0 3 15 1481.94 1402.06 66.46 o
-2 4 15 1303.79 1303.13 52.92 o
-1 1 16 10034.70 9971.74 130.19 o
0 2 16 7403.65 7771.23 126.07 o
-2 3 16 5686.09 5923.94 98.27 o
-1 4 16 3566.06 3615.23 110.94 o
0 1 17 1588.88 1278.62 51.11 o
-2 2 17 1123.58 1111.30 40.69 o
-1 3 17 810.58 805.96 34.11 o
-3 4 17 441.37 452.53 44.91 o
0 4 17 336.13 358.04 133.92 <
0 0 18 18298.80 20674.20 345.37 o
-1 2 18 13677.10 13424.90 114.06 o
-3 3 18 8305.01 8292.41 213.65 o
0 3 18 8305.01 9022.37 224.35 o
-2 4 18 6602.75 7000.09 162.82 o
-1 1 19 1116.47 999.49 38.50 o
0 2 19 995.59 1014.29 51.05 o
-2 3 19 899.55 871.93 43.98 o
-1 4 19 737.28 770.15 121.69 o
0 1 20 5040.27 4559.44 117.74 o
-2 2 20 3891.63 3564.67 112.31 o
-1 3 20 3077.80 3020.40 85.00 o
-3 4 20 2009.12 1487.22 170.66 o
0 0 21 559.05 629.77 74.14 o
-1 2 21 393.08 323.38 23.25 o
-3 3 21 211.79 109.29 33.01 o
0 3 21 211.79 209.10 38.17 o
-2 4 21 165.70 129.15 53.25 <
-1 1 22 14430.30 15153.20 188.43 o
0 2 22 11271.80 12106.60 231.58 o
-2 3 22 8916.63 8979.92 166.38 o
0 1 23 295.83 294.15 29.56 o
-2 2 23 300.01 193.85 36.41 o
-1 3 23 299.55 220.89 28.85 o
0 0 24 3110.85 3039.92 128.54 o
-1 2 24 2471.47 2016.52 70.96 o
-3 3 24 1631.97 1472.53 245.79 o
0 3 24 1631.97 1808.52 245.13 o
-1 1 25 70.80 63.23 18.92 o
0 2 25 71.90 -17.99 38.00 <
-2 3 25 77.02 51.27 39.15 <
0 1 26 10869.00 11121.90 183.27 o
-2 2 26 8631.32 9121.24 456.48 o
-1 3 26 6905.11 6396.21 581.23 o
0 0 27 65.46 32.08 15.46 <
-1 2 27 71.16 23.47 19.36 <
-1 1 28 2020.63 1886.28 82.42 o
0 2 28 1648.85 1506.20 230.87 o
0 1 29 217.39 116.37 22.59 o
0 0 30 7497.73 7790.70 273.15 o