#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/70/2217094.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_2217094_Fobs
loop_
_publ_author_name
'Jian, Fang-Fang'
'Wang, Ke-Fei'
'Zhuang, Rui-Rui'
'Xiao, Hai-Lian'
_publ_section_title
;
 2,3-Bis(4-bromophenyl)quinoxaline
;
_journal_coeditor_code           HG2324
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o76
_journal_volume                  64
_journal_year                    2008
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                105.470
_cell_angle_beta                 91.890
_cell_angle_gamma                97.470
_cell_length_a                   6.0830
_cell_length_b                   12.0180
_cell_length_c                   12.3230
_exptl_crystal_F_000             432.00
_reflns_d_resolution_high        0.8410
_[local]_cod_data_source_file    hg2324Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' B in            P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            161.93
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0 0 4401.38 5089.81 27.78 o
2 0 0 27.84 33.34 3.02 o
3 0 0 626.33 672.82 19.89 o
4 0 0 2221.40 2292.09 42.86 o
5 0 0 56.00 63.20 8.81 o
6 0 0 4.16 20.48 18.69 o
7 0 0 13.93 22.74 24.46 o
-7 1 0 5.03 14.52 29.93 o
-6 1 0 1.81 31.50 24.44 o
-5 1 0 1109.44 1061.43 26.70 o
-4 1 0 613.13 669.87 20.76 o
-3 1 0 0.75 -3.46 5.80 o
-2 1 0 5332.22 6048.60 47.60 o
-1 1 0 2369.28 2796.87 21.11 o
0 1 0 6.87 26.73 0.68 o
1 1 0 4577.00 5265.65 29.88 o
2 1 0 2853.36 3290.04 32.85 o
3 1 0 905.72 935.76 22.79 o
4 1 0 375.57 358.03 10.65 o
5 1 0 156.16 152.41 10.93 o
6 1 0 289.83 316.18 14.73 o
7 1 0 8.69 27.36 24.01 o
-7 2 0 33.15 -4.92 17.39 o
-6 2 0 186.54 158.87 19.46 o
-5 2 0 38.28 46.30 11.78 o
-4 2 0 807.69 902.18 25.26 o
-3 2 0 51.75 99.42 5.80 o
-2 2 0 475.46 559.14 14.49 o
-1 2 0 1106.36 1171.21 15.36 o
0 2 0 8432.27 7674.67 23.99 o
1 2 0 1.66 2.21 3.44 o
2 2 0 188.46 200.55 5.87 o
3 2 0 2205.93 2325.34 35.68 o
4 2 0 1196.74 1269.73 33.13 o
5 2 0 22.59 19.61 16.42 o
6 2 0 8.78 11.78 19.61 o
-7 3 0 12.28 -9.90 20.45 o
-6 3 0 12.22 26.11 12.14 o
-5 3 0 393.99 393.21 13.90 o
-4 3 0 15.59 28.72 6.29 o
-3 3 0 215.50 252.49 7.30 o
-2 3 0 4900.14 5296.40 44.13 o
-1 3 0 7013.35 6942.70 42.23 o
0 3 0 1.33 11.64 1.44 o
1 3 0 52.53 45.24 2.92 o
2 3 0 11816.52 12675.03 71.47 o
3 3 0 1496.36 1614.87 31.69 o
4 3 0 107.14 94.89 8.13 o
5 3 0 0.30 11.62 15.65 o
6 3 0 129.87 139.85 13.64 o
-7 4 0 170.65 142.56 18.03 o
-6 4 0 363.00 341.06 16.73 o
-5 4 0 0.03 -4.92 13.95 o
-4 4 0 86.26 75.55 7.61 o
-3 4 0 3986.04 4267.89 49.39 o
-2 4 0 1449.06 1565.46 26.13 o
-1 4 0 23.51 19.39 2.90 o
0 4 0 737.76 714.72 11.03 o
1 4 0 3103.93 2990.05 33.77 o
2 4 0 96.33 106.46 5.54 o
3 4 0 637.43 690.09 19.09 o
4 4 0 7.78 6.06 12.49 o
5 4 0 125.63 139.05 11.73 o
6 4 0 6.51 8.18 18.80 o
-7 5 0 8.11 -31.95 21.87 o
-6 5 0 29.57 -8.41 20.88 o
-5 5 0 10.89 20.97 16.26 o
-4 5 0 731.24 721.57 22.31 o
-3 5 0 48.39 51.51 5.94 o
-2 5 0 1727.02 1716.76 29.78 o
-1 5 0 146.57 204.51 6.20 o
0 5 0 371.93 373.55 13.55 o
1 5 0 860.37 861.07 21.02 o
2 5 0 2312.62 2313.06 37.25 o
3 5 0 64.34 78.94 6.81 o
4 5 0 24.37 23.89 9.02 o
5 5 0 243.43 233.05 14.21 o
6 5 0 42.02 44.94 13.69 o
-6 6 0 1.29 -19.63 18.90 o
-5 6 0 42.95 49.13 10.20 o
-4 6 0 509.16 511.76 15.88 o
-3 6 0 1593.67 1641.45 34.76 o
-2 6 0 423.17 401.53 12.02 o
-1 6 0 240.03 283.26 8.29 o
0 6 0 4663.10 4421.05 34.33 o
1 6 0 3069.21 2873.31 41.21 o
2 6 0 28.46 39.00 5.84 o
3 6 0 8.29 -2.90 12.25 o
4 6 0 300.67 325.34 13.76 o
5 6 0 65.31 60.39 12.32 o
-6 7 0 0.43 1.20 22.29 o
-5 7 0 157.59 143.93 12.96 o
-4 7 0 1397.07 1394.36 39.26 o
-3 7 0 7.98 14.09 11.07 o
-2 7 0 124.87 132.17 7.00 o
-1 7 0 924.61 856.14 24.77 o
0 7 0 758.27 720.55 36.37 o
1 7 0 183.19 180.69 7.89 o
2 7 0 0.62 11.24 11.36 o
3 7 0 91.70 89.21 8.91 o
4 7 0 9.93 21.73 15.62 o
5 7 0 227.31 223.15 14.52 o
-6 8 0 65.26 33.08 25.76 o
-5 8 0 125.03 123.71 13.15 o
-4 8 0 1.68 0.92 14.99 o
-3 8 0 135.97 115.86 8.48 o
-2 8 0 130.94 137.92 8.13 o
-1 8 0 15.80 3.30 11.07 o
0 8 0 1638.14 1587.37 51.45 o
1 8 0 480.52 468.71 14.28 o
2 8 0 24.82 23.12 7.38 o
3 8 0 70.59 61.74 9.87 o
4 8 0 148.39 158.32 13.50 o
5 8 0 1.16 32.05 22.03 o
-6 9 0 1.04 -6.34 22.67 o
-5 9 0 76.42 90.39 12.39 o
-4 9 0 9.47 13.95 15.32 o
-3 9 0 5.49 22.81 13.81 o
-2 9 0 517.57 520.95 14.49 o
-1 9 0 1526.37 1492.22 37.35 o
0 9 0 268.86 264.58 10.78 o
1 9 0 875.30 856.94 26.30 o
2 9 0 27.91 38.72 9.00 o
3 9 0 241.29 260.21 14.49 o
4 9 0 7.70 -16.12 21.04 o
-5 10 0 98.29 86.03 14.00 o
-4 10 0 26.37 25.19 10.56 o
-3 10 0 155.66 190.02 12.04 o
-2 10 0 331.64 325.42 13.76 o
-1 10 0 5.18 14.89 14.52 o
0 10 0 0.76 -12.71 9.58 o
1 10 0 126.83 140.89 11.50 o
2 10 0 48.04 46.11 11.31 o
3 10 0 27.22 17.30 19.46 o
4 10 0 18.41 28.54 13.34 o
-5 11 0 2.38 -29.15 21.54 o
-4 11 0 37.90 71.89 12.02 o
-3 11 0 25.58 17.53 19.30 o
-2 11 0 1.80 19.53 16.92 o
-1 11 0 87.47 109.90 10.49 o
0 11 0 16.66 10.24 11.32 o
1 11 0 0.57 17.01 17.79 o
2 11 0 96.52 125.92 13.36 o
3 11 0 43.84 28.28 24.93 o
-4 12 0 28.38 50.90 13.20 o
-3 12 0 180.27 214.50 15.69 o
-2 12 0 112.44 101.91 12.72 o
-1 12 0 62.66 53.63 11.17 o
0 12 0 63.79 76.16 8.40 o
1 12 0 239.20 229.04 15.93 o
2 12 0 39.54 32.47 25.50 o
-3 13 0 45.02 36.76 24.15 o
-2 13 0 2.74 6.50 20.85 o
-1 13 0 30.39 33.22 12.23 o
0 13 0 29.51 49.65 8.86 o
1 13 0 1.67 -11.33 21.89 o
1 -14 1 5.32 18.57 22.69 o
-1 -13 1 53.38 75.36 14.02 o
0 -13 1 12.38 14.75 15.37 o
1 -13 1 26.63 20.26 21.21 o
2 -13 1 125.01 127.50 14.35 o
3 -13 1 103.70 127.29 15.10 o
-2 -12 1 88.88 96.12 14.14 o
-1 -12 1 45.62 60.56 12.02 o
0 -12 1 50.43 50.43 8.88 o
1 -12 1 331.69 330.46 15.93 o
2 -12 1 302.09 304.30 15.43 o
3 -12 1 10.91 10.96 11.57 o
4 -12 1 20.15 51.93 12.75 o
-3 -11 1 72.10 49.15 13.31 o
-2 -11 1 6.41 2.29 19.84 o
-1 -11 1 26.87 17.86 10.18 o
0 -11 1 64.38 74.48 7.51 o
1 -11 1 52.67 37.23 10.04 o
2 -11 1 126.12 115.70 12.02 o
3 -11 1 69.61 74.46 11.66 o
4 -11 1 34.43 12.11 22.15 o
5 -11 1 6.55 12.32 21.87 o
-4 -10 1 0.92 32.19 11.73 o
-3 -10 1 75.63 99.23 12.96 o
-2 -10 1 332.65 295.82 15.01 o
-1 -10 1 3.46 1.86 16.38 o
0 -10 1 157.03 160.93 7.76 o
1 -10 1 582.03 588.55 16.52 o
2 -10 1 358.51 353.29 13.76 o
3 -10 1 32.13 36.43 9.90 o
4 -10 1 393.76 396.34 16.40 o
5 -10 1 118.28 122.41 14.68 o
-4 -9 1 64.53 64.68 13.76 o
-3 -9 1 66.01 69.44 10.89 o
-2 -9 1 113.17 103.30 11.15 o
-1 -9 1 641.99 644.68 20.10 o
0 -9 1 860.43 825.34 17.31 o
1 -9 1 238.13 252.63 10.09 o
2 -9 1 71.15 75.73 7.68 o
3 -9 1 246.55 255.76 12.47 o
4 -9 1 468.74 451.67 16.40 o
5 -9 1 16.46 15.34 20.26 o
6 -9 1 0.12 -5.04 19.82 o
-5 -8 1 30.60 11.43 26.27 o
-4 -8 1 4.91 20.38 17.65 o
-3 -8 1 8.44 -6.13 15.43 o
-2 -8 1 247.63 257.08 10.86 o
-1 -8 1 400.47 375.35 11.26 o
0 -8 1 1.76 -4.97 6.92 o
1 -8 1 71.46 60.56 6.22 o
2 -8 1 80.69 94.68 7.05 o
3 -8 1 281.09 290.09 11.03 o
4 -8 1 6.50 21.44 14.75 o
5 -8 1 110.19 105.33 12.37 o
6 -8 1 0.83 30.59 21.07 o
-5 -7 1 94.05 90.86 14.16 o
-4 -7 1 16.05 27.38 17.06 o
-3 -7 1 75.29 77.88 8.11 o
-2 -7 1 25.57 15.25 11.85 o
-1 -7 1 2272.21 2170.57 40.22 o
0 -7 1 1637.83 1456.96 32.81 o
1 -7 1 13.09 19.20 4.64 o
2 -7 1 176.42 168.13 7.80 o
3 -7 1 1966.43 1984.75 41.57 o
4 -7 1 1089.11 1079.01 29.20 o
5 -7 1 103.09 78.28 11.78 o
6 -7 1 47.23 36.10 23.56 o
-6 -6 1 41.18 30.07 22.60 o
-5 -6 1 29.98 46.63 11.64 o
-4 -6 1 2.22 0.90 15.03 o
-3 -6 1 340.90 361.56 11.26 o
-2 -6 1 2031.62 2092.20 38.69 o
-1 -6 1 1334.69 1261.34 27.59 o
0 -6 1 548.19 587.65 10.87 o
1 -6 1 4384.92 4440.80 48.75 o
2 -6 1 3870.57 3695.19 47.34 o
3 -6 1 132.46 129.77 7.82 o
4 -6 1 3.20 10.60 13.43 o
5 -6 1 25.21 21.47 18.50 o
6 -6 1 137.89 129.34 14.66 o
-6 -5 1 13.76 -6.01 21.68 o
-5 -5 1 43.35 49.46 11.03 o
-4 -5 1 169.23 180.50 10.34 o
-3 -5 1 1338.79 1330.93 33.39 o