#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/16/2211632.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_2211632_Fobs
loop_
_publ_author_name
'Li, Feng'
'Pan, Xian-Xiu'
'Yin, Han-Dong'
'Zhai, Jun'
'Wang, Daqi'
_publ_section_title
;
 Tris(<i>O</i>-isobutyl
 dithiocarbonato-\k^2^<i>S</i>,<i>S</i>')(1,10-phenanthroline)bismuth(III)
;
_journal_coeditor_code           SJ2170
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3475
_journal_page_last               m3476
_journal_volume                  62
_journal_year                    2006
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 103.367
_cell_angle_gamma                90.000
_cell_length_a                   17.3657
_cell_length_b                   13.1302
_cell_length_c                   30.9855
_exptl_crystal_F_000             3312.00
_reflns_d_resolution_high        0.8406
_[local]_cod_data_source_file    sj2170Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' 051111a in C2/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            1017.77
_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+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'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 395869.41 388382.06 18402.61 o
4 0 0 4923.26 4359.32 438.23 o
6 0 0 1344.58 2447.70 462.98 o
8 0 0 55597.08 63811.61 3374.90 o
10 0 0 121262.34 130021.30 5682.06 o
12 0 0 118514.14 112939.10 5581.00 o
14 0 0 79176.05 78199.61 3362.23 o
16 0 0 4271.27 5554.57 1075.00 o
18 0 0 250.62 -376.36 1604.34 o
20 0 0 7082.62 7052.43 2247.76 o
1 1 0 91498.80 92193.88 3229.47 o
3 1 0 16873.98 18111.67 1137.34 o
5 1 0 56775.39 60765.27 2187.59 o
7 1 0 167711.23 188968.97 6507.93 o
9 1 0 96015.29 98191.34 3021.88 o
11 1 0 2371.55 1823.24 451.32 o
13 1 0 12217.59 12169.96 784.50 o
15 1 0 48098.74 43946.16 1600.53 o
17 1 0 18041.24 19011.71 1415.47 o
19 1 0 8330.20 6890.27 1507.78 o
0 2 0 258191.69 251536.45 8670.52 o
2 2 0 293982.47 287177.16 8263.55 o
4 2 0 1887.65 2897.30 269.52 o
6 2 0 55835.64 58475.77 1833.27 o
8 2 0 59427.36 60469.33 2114.78 o
10 2 0 111591.58 122536.02 3758.43 o
12 2 0 82770.14 85878.16 2483.06 o
14 2 0 29954.15 29887.46 1201.59 o
16 2 0 1286.76 -470.24 685.51 o
18 2 0 1517.12 1690.66 914.08 o
1 3 0 5192.11 5587.57 235.75 o
3 3 0 51706.84 54376.38 1455.05 o
5 3 0 217940.59 228414.81 5408.62 o
7 3 0 87697.34 84270.24 2584.85 o
9 3 0 111777.95 123318.86 3750.23 o
11 3 0 977.22 1344.47 444.57 o
13 3 0 25669.26 26771.32 1098.11 o
15 3 0 37963.65 37598.26 1737.82 o
17 3 0 25016.41 24249.30 1613.22 o
19 3 0 9429.16 8545.88 1263.58 o
0 4 0 446092.63 388226.25 11162.46 o
2 4 0 93976.87 89931.98 2100.40 o
4 4 0 3777.06 3785.01 322.04 o
6 4 0 31755.84 35863.55 1000.48 o
8 4 0 11932.74 11029.42 633.62 o
10 4 0 57283.01 59454.35 2011.99 o
12 4 0 49640.92 49288.00 2366.88 o
14 4 0 16610.83 18698.92 1465.20 o
16 4 0 2397.70 2266.08 896.37 o
18 4 0 1434.39 352.02 877.14 o
1 5 0 11285.93 11640.58 372.14 o
3 5 0 166121.16 177887.36 4522.85 o
5 5 0 266655.22 272374.09 6842.54 o
7 5 0 225733.92 226081.67 5437.61 o
9 5 0 91869.00 91169.17 3030.85 o
11 5 0 6528.41 5796.37 942.54 o
13 5 0 10822.73 11333.95 1091.70 o
15 5 0 24570.37 21984.91 1368.08 o
17 5 0 20046.81 19954.17 1513.19 o
19 5 0 8763.90 7141.37 1494.52 o
0 6 0 143781.52 141385.58 4247.56 o
2 6 0 206763.22 205668.33 4299.56 o
4 6 0 9303.44 9316.92 504.87 o
6 6 0 716.81 848.68 294.55 o
8 6 0 10637.78 9689.25 483.48 o
10 6 0 27861.69 27938.91 1642.90 o
12 6 0 33392.89 32145.36 1875.16 o
14 6 0 12264.39 14179.82 1168.05 o
16 6 0 3667.32 3413.33 1138.12 o
18 6 0 269.86 -1321.49 1177.05 o
1 7 0 3251.54 3700.06 261.84 o
3 7 0 14999.28 16743.62 630.03 o
5 7 0 63206.52 65726.16 1884.38 o
7 7 0 41858.51 39950.98 1301.77 o
9 7 0 8659.43 8539.18 1425.49 o
11 7 0 775.43 -213.56 807.85 o
13 7 0 15312.18 15571.29 1571.85 o
15 7 0 14948.20 15870.00 1682.16 o
17 7 0 12993.20 15922.04 1828.99 o
0 8 0 58878.81 56179.17 1900.01 o
2 8 0 39902.40 38666.68 1138.98 o
4 8 0 5529.23 4957.60 428.51 o
6 8 0 4339.57 3660.92 440.42 o
8 8 0 22400.06 22856.27 1439.30 o
10 8 0 24002.29 24748.43 1640.50 o
12 8 0 20977.94 22805.45 1800.99 o
14 8 0 9140.20 9833.09 1429.27 o
16 8 0 2604.29 2073.18 1239.43 o
1 9 0 5978.70 5430.62 549.93 o
3 9 0 16826.88 15888.22 704.60 o
5 9 0 17801.46 17039.41 738.20 o
7 9 0 37971.75 38904.84 1415.94 o
9 9 0 2909.04 2852.70 917.13 o
11 9 0 258.63 -495.35 870.52 o
13 9 0 2530.40 2997.60 1087.10 o
15 9 0 7454.21 6052.36 1381.22 o
0 10 0 62814.38 62565.89 2763.22 o
2 10 0 36256.10 36118.60 1325.24 o
4 10 0 4536.17 5887.93 725.18 o
6 10 0 1301.75 1065.16 591.70 o
8 10 0 17654.54 19947.21 1098.20 o
10 10 0 12115.40 14654.65 1484.81 o
12 10 0 9150.11 11122.18 1462.00 o
14 10 0 5662.42 5816.03 1367.05 o
1 11 0 698.15 706.61 514.87 o
3 11 0 4982.75 4510.78 728.46 o
5 11 0 13443.68 17060.42 1847.67 o
7 11 0 23251.60 22300.43 1273.38 o
9 11 0 5473.09 6494.96 1232.62 o
11 11 0 359.62 2584.84 1573.40 o
13 11 0 222.91 -147.45 1595.06 o
0 12 0 3952.07 3344.85 936.37 o
2 12 0 4761.25 3713.18 738.59 o
4 12 0 675.31 -72.00 650.99 o
6 12 0 1671.46 1555.84 729.79 o
8 12 0 2730.71 2618.50 837.73 o
10 12 0 3427.93 3914.21 1153.07 o
12 12 0 2032.03 597.10 1045.67 o
1 13 0 159.37 473.00 682.78 o
3 13 0 800.87 1151.51 899.14 o
5 13 0 2798.49 4428.09 859.60 o
7 13 0 1030.73 1466.15 1236.76 o
9 13 0 187.23 327.26 812.00 o
11 13 0 47.71 796.15 1010.13 o
0 14 0 2447.91 3844.89 1607.43 o