data_2105803
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.0216(5)
_cell_length_b                   4.0216(5)
_cell_length_c                   21.884(4)
_exptl_crystal_F_000             270
_reflns_d_resolution_high        ?
_[local]_cod_data_source_file    bp5060VIsup7.hkl
_[local]_cod_data_source_block   VI
_shelx_title                     '   '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            132.88
_shelx_f_squared_multiplier      1.000
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 17658.37 15396.54 75.64 o
0 3 0 10877.58 10154.37 106.65 o
-2 4 0 8542.36 8284.68 174.84 o
-1 5 0 4344.68 4661.51 198.28 o
-1 1 1 1416.43 1500.53 21.39 o
0 2 1 1205.55 1186.46 29.04 o
-2 3 1 1001.72 1014.40 19.66 o
-4 4 1 602.46 527.15 46.46 o
-1 4 1 706.29 683.03 30.80 o
-3 5 1 517.41 473.73 35.82 o
0 1 2 3394.10 3339.52 34.08 o
-2 2 2 2341.68 2360.27 38.76 o
-1 3 2 1553.29 1587.15 29.69 o
-3 4 2 859.05 860.04 34.81 o
0 4 2 689.49 674.27 53.33 o
-2 5 2 567.80 529.85 44.28 o
-1 2 3 3058.15 2966.68 37.62 o
-3 3 3 1890.61 1808.72 70.23 o
0 3 3 1890.61 1833.93 41.26 o
-2 4 3 1545.20 1587.09 46.09 o
-1 5 3 890.33 967.30 94.76 o
-1 1 4 16497.96 17951.85 100.96 o
0 2 4 15491.68 15390.88 100.51 o
-2 3 4 11911.78 11275.41 58.88 o
-4 4 4 5808.77 6100.63 257.66 o
-1 4 4 7298.28 7490.39 103.68 o
-3 5 4 4649.09 4907.20 116.30 o
0 1 5 203.39 259.20 10.99 o
-2 2 5 293.11 365.74 15.76 o
-1 3 5 285.90 313.05 17.19 o
-3 4 5 239.48 223.52 18.77 o
0 4 5 219.20 209.12 31.81 o
-2 5 5 201.04 207.85 27.95 o
0 0 6 4574.32 4781.52 92.28 o
-1 2 6 3158.02 3210.30 41.10 o
-3 3 6 1513.23 1528.80 45.32 o
0 3 6 1513.23 1462.06 40.59 o
-2 4 6 1159.05 1103.09 40.71 o
-1 5 6 623.09 619.31 79.43 o
-1 1 7 5766.58 5902.93 93.95 o
0 2 7 4249.59 4310.09 49.34 o
-2 3 7 3329.81 3285.93 45.02 o
-4 4 7 1789.39 1888.03 83.82 o
-1 4 7 2181.32 2146.50 58.26 o
-3 5 7 1475.20 1507.57 75.11 o
0 1 8 15891.18 17269.84 134.15 o
-2 2 8 12318.00 12314.86 114.88 o
-1 3 8 9354.58 9025.56 117.73 o
-3 4 8 5739.99 5887.81 91.90 o
0 4 8 4575.63 4695.39 152.58 o
-2 5 8 3668.70 3887.10 125.86 o
0 0 9 152.22 155.15 21.56 o
-1 2 9 78.54 94.68 6.45 o
-3 3 9 76.49 77.77 12.73 o
0 3 9 76.49 82.52 13.88 o
-2 4 9 76.30 75.73 13.92 o
-1 5 9 74.85 71.72 25.74 <
-1 1 10 5045.58 5376.33 108.92 o
0 2 10 3390.26 3527.10 61.93 o
-2 3 10 2444.72 2382.11 39.37 o
-4 4 10 1187.11 1207.98 71.19 o
-1 4 10 1472.42 1505.17 60.42 o
-3 5 10 969.09 899.63 58.90 o
0 1 11 6321.40 6396.89 115.22 o
-2 2 11 4860.72 4958.39 86.27 o
-1 3 11 3869.98 3743.64 71.45 o
-3 4 11 2546.47 2477.59 65.56 o
0 4 11 2083.17 1957.15 105.55 o
0 0 12 12238.82 12263.76 161.18 o
-1 2 12 8953.65 8920.74 65.12 o
-3 3 12 5241.61 5405.45 114.44 o
0 3 12 5241.61 5450.41 164.03 o
-2 4 12 4142.94 4150.96 101.07 o
-1 1 13 175.21 157.55 14.61 o
0 2 13 111.82 109.98 18.70 o
-2 3 13 85.43 84.95 9.36 o
-4 4 13 54.98 31.38 22.66 <
-1 4 13 60.84 71.10 14.79 o
0 1 14 5667.41 5579.97 92.98 o
-2 2 14 4105.40 4221.28 84.50 o
-1 3 14 3124.93 3045.86 62.63 o
-3 4 14 1959.03 2020.23 68.68 o
0 4 14 1582.30 1616.50 138.29 o
0 0 15 6080.42 5999.12 127.99 o
-1 2 15 4787.40 4696.28 57.35 o
-3 3 15 3120.44 3205.89 93.90 o
0 3 15 3120.44 3386.32 141.64 o
-2 4 15 2543.53 2523.29 84.96 o
-1 1 16 5958.46 5793.07 101.61 o
0 2 16 4469.29 4429.38 105.29 o
-2 3 16 3469.57 3398.18 86.19 o
-4 4 16 1780.75 1744.55 114.43 o
-1 4 16 2203.95 2352.04 101.61 o
0 1 17 155.28 147.53 19.56 o
-2 2 17 111.74 109.50 17.53 o
-1 3 17 85.88 100.51 16.50 o
-3 4 17 58.43 60.71 18.14 o
0 0 18 6603.31 6590.52 178.50 o
-1 2 18 5028.59 5024.27 81.74 o
-3 3 18 3125.43 3344.79 123.62 o
0 3 18 3125.43 3460.76 155.42 o
-2 4 18 2506.96 2568.84 173.13 o
-1 1 19 4079.55 4042.76 102.70 o
0 2 19 3299.32 3293.95 126.88 o
-2 3 19 2685.98 2701.58 83.23 o
-1 4 19 1801.35 1694.96 163.25 o
0 1 20 2752.29 2696.14 105.71 o
-2 2 20 2139.62 2077.02 70.42 o
-1 3 20 1702.99 1636.26 72.26 o
0 0 21 84.41 57.40 17.94 o
-1 2 21 68.93 83.62 14.72 o
-3 3 21 53.76 46.88 17.74 <
-1 1 22 5868.16 5928.93 131.76 o
0 2 22 4650.16 5167.35 227.04 o
-2 3 22 3715.29 3867.56 99.42 o
0 1 23 2407.83 2221.98 119.20 o
-2 2 23 1973.00 1920.92 71.23 o
0 0 24 1290.04 1282.06 90.22 o
-1 2 24 1034.44 1003.64 45.24 o
-1 1 25 73.51 70.99 15.22 o
-2 3 25 72.99 31.02 22.67 <
0 1 26 5081.75 4885.65 182.89 o
0 0 27 1193.52 1172.92 90.22 o
-1 2 27 995.56 1050.66 72.72 o
-1 1 28 564.36 498.32 57.55 o