#------------------------------------------------------------------------------
#$Date: 2016-04-06 15:35:39 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181862 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/1/52/92/1529276.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_1529276
_cell_angle_alpha                90
_cell_angle_beta                 134.0984(36)
_cell_angle_gamma                90
_cell_length_a                   7.29238(53)
_cell_length_b                   11.39539(81)
_cell_length_c                   5.20988(40)
_cod_data_source_file            1529276.hkl
_cod_data_source_block           1529276
#BEGIN Tags that were not found in dictionaries:
_shelx_f_squared_multiplier      1
#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+1/2'
'x, y, z'
'x+1/2, -y+1/2, z+1/2'
'x+1/2, y+1/2, z'
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_meas
_refln_F_squared_calc
_refln_phase_calc
0 2 0 0.16 0.15 180.00000
1 1 0 1.61 1.62 0.00000
1 -1 -1 4.67 4.68 180.00000
0 2 1 29.70 29.37 180.00000
1 3 0 2.27 2.17 180.00000
2 -2 -1 25.96 24.84 180.00000
1 -3 -1 4.75 4.53 180.00000
0 4 0 13.66 13.52 180.00000
2 0 0 10.58 10.55 0.00000
2 0 -2 13.84 14.10 180.00000
2 2 0 0.00 0.00 180.00000
2 -2 -2 0.29 0.42 180.00000
1 1 1 2.08 2.26 180.00000
1 -1 -2 0.81 0.95 180.00000
3 -1 -1 0.25 0.24 180.00000
0 4 1 1.06 0.98 0.00000
3 -1 -2 1.21 0.97 180.00000
2 -4 -1 0.11 0.05 0.00000
1 5 0 0.75 0.95 180.00000
1 -5 -1 0.32 0.41 0.00000
1 3 1 0.69 0.67 180.00000
1 -3 -2 1.18 1.14 0.00000
3 -3 -1 2.23 2.08 180.00000
3 -3 -2 0.64 0.61 0.00000
2 4 0 21.69 21.34 180.00000
2 -4 -2 26.11 25.65 0.00000
0 6 0 0.05 0.04 180.00000
0 0 2 12.04 11.41 180.00000
4 0 -2 10.00 8.63 180.00000
0 2 2 0.31 0.31 0.00000
4 -2 -2 0.06 0.05 0.00000
3 1 0 1.93 1.94 0.00000
3 -1 -3 0.77 0.84 0.00000
0 6 1 15.02 14.78 0.00000
2 -6 -1 20.09 19.94 0.00000
1 5 1 0.73 0.64 0.00000
1 -5 -2 1.12 1.04 0.00000
3 -5 -1 1.25 1.33 0.00000
3 -5 -2 1.95 1.98 0.00000
2 2 1 20.99 19.15 180.00000
2 -2 -3 15.78 13.86 0.00000
3 3 0 0.48 0.46 180.00000
3 -3 -3 2.93 2.95 0.00000
4 -2 -1 18.51 18.74 180.00000
4 -2 -3 14.94 15.77 0.00000
0 4 2 13.75 14.01 0.00000
1 7 0 0.56 0.57 0.00000
1 -7 -1 2.11 2.17 0.00000
2 6 0 0.28 0.30 0.00000
4 -4 -2 13.67 15.07 0.00000
2 -6 -2 0.01 0.01 180.00000
1 1 2 2.05 1.69 180.00000
1 -1 -3 0.78 0.63 0.00000
2 4 1 0.02 0.02 180.00000
2 -4 -3 0.04 0.04 180.00000
0 8 0 7.02 6.13 0.00000
4 -4 -1 0.02 0.02 180.00000
5 -1 -2 1.70 1.61 180.00000
5 -1 -3 1.13 1.12 0.00000
4 -4 -3 0.11 0.11 180.00000
3 5 0 2.52 2.52 180.00000
3 -5 -3 0.51 0.49 180.00000
1 3 2 0.99 0.84 0.00000
1 -3 -3 1.09 0.92 0.00000
1 7 1 1.26 1.22 0.00000
5 -3 -2 0.82 0.79 0.00000
1 -7 -2 0.66 0.65 180.00000
5 -3 -3 0.34 0.33 0.00000
0 6 2 0.11 0.10 180.00000
3 -7 -1 1.21 1.04 0.00000
0 8 1 0.09 0.08 180.00000
3 -7 -2 1.16 0.98 180.00000
2 -8 -1 0.53 0.47 180.00000
4 -6 -2 0.23 0.21 180.00000
4 0 0 6.40 5.18 0.00000
4 0 -4 8.69 7.37 0.00000
4 2 0 0.00 0.00 180.00000
3 1 1 0.23 0.21 180.00000
4 -2 -4 0.01 0.01 180.00000
3 -1 -4 0.44 0.42 0.00000
5 -1 -1 0.74 0.74 180.00000
2 6 1 11.61 11.44 0.00000
2 8 0 11.96 11.31 0.00000
2 -6 -3 13.50 12.52 180.00000
2 -8 -2 10.97 10.11 180.00000
5 -1 -4 0.74 0.67 0.00000
4 -6 -1 12.18 11.28 0.00000
4 -6 -3 10.86 10.61 180.00000
1 5 2 0.97 0.96 0.00000
1 -5 -3 0.49 0.48 180.00000
1 9 0 1.55 1.52 0.00000
1 -9 -1 0.11 0.11 180.00000
0 2 3 11.75 12.42 0.00000
5 -5 -2 0.98 0.93 0.00000
5 -5 -3 0.38 0.35 180.00000
3 3 1 0.87 0.79 180.00000
3 -3 -4 0.38 0.36 180.00000
5 -3 -1 0.41 0.37 180.00000
5 -3 -4 0.67 0.61 180.00000
3 7 0 0.37 0.35 0.00000
4 4 0 10.64 10.23 180.00000
6 -2 -3 12.30 11.83 0.00000
3 -7 -3 1.18 1.13 180.00000
4 -4 -4 11.05 10.28 180.00000
2 0 2 4.92 4.58 180.00000
2 0 -4 4.55 4.27 0.00000
6 0 -2 5.39 5.12 180.00000
2 2 2 0.03 0.02 0.00000
6 0 -4 4.84 4.74 0.00000
2 -2 -4 0.01 0.01 0.00000
0 4 3 0.02 0.02 180.00000
0 10 0 0.04 0.04 180.00000
6 -2 -2 0.08 0.09 0.00000
0 8 2 8.63 9.01 180.00000
6 -2 -4 0.06 0.07 180.00000
4 -8 -2 9.16 9.06 180.00000
6 -4 -3 0.02 0.02 180.00000
1 9 1 0.27 0.27 180.00000
1 -9 -2 1.00 1.00 180.00000
3 5 1 0.50 0.50 0.00000
3 -9 -1 0.39 0.39 180.00000
3 -5 -4 0.66 0.65 180.00000
3 -9 -2 0.69 0.68 180.00000
5 -5 -1 0.32 0.28 0.00000
5 -5 -4 0.42 0.39 180.00000
2 4 2 8.25 8.13 0.00000
0 10 1 9.75 9.39 180.00000
1 7 2 0.05 0.05 180.00000
1 -7 -3 0.76 0.72 180.00000
2 -4 -4 9.41 8.99 180.00000
2 -10 -1 8.13 7.74 180.00000
2 8 1 0.06 0.06 180.00000
2 -8 -3 0.36 0.36 0.00000
4 6 0 0.15 0.15 0.00000
4 -8 -1 0.07 0.06 180.00000
5 -7 -2 0.05 0.05 180.00000
5 -7 -3 0.69 0.69 180.00000
4 -8 -3 0.13 0.13 0.00000
4 -6 -4 0.01 0.01 0.00000
6 -4 -2 7.13 7.33 0.00000
6 -4 -4 6.84 7.37 180.00000
1 1 3 0.48 0.46 0.00000
1 -1 -4 0.59 0.58 0.00000
2 10 0 0.23 0.23 180.00000
2 -10 -2 0.16 0.16 0.00000
5 1 0 0.34 0.35 0.00000
0 6 3 6.57 6.86 180.00000
5 -1 -5 0.61 0.64 180.00000
7 -1 -3 0.25 0.26 0.00000
7 -1 -4 0.50 0.54 0.00000
3 9 0 0.46 0.51 0.00000
6 -6 -3 5.84 6.57 180.00000
3 -9 -3 0.09 0.10 0.00000
1 3 3 0.19 0.19 0.00000
1 -3 -4 0.23 0.22 180.00000
1 11 0 0.27 0.25 180.00000
1 -11 -1 0.80 0.77 180.00000
4 2 1 6.99 6.74 180.00000
4 -2 -5 7.68 6.75 180.00000
5 3 0 0.34 0.30 180.00000
6 -2 -1 7.87 7.00 180.00000
3 7 1 0.56 0.51 0.00000
5 -3 -5 0.48 0.44 180.00000
2 6 2 0.12 0.12 180.00000
3 -7 -4 0.34 0.36 0.00000
2 -6 -4 0.09 0.10 0.00000
6 -2 -5 6.43 6.92 180.00000
5 -7 -1 0.53 0.55 0.00000
7 -3 -3 0.36 0.36 0.00000
7 -3 -4 0.21 0.21 180.00000
5 -7 -4 0.10 0.10 0.00000
6 -6 -2 0.07 0.07 180.00000
6 -6 -4 0.09 0.09 0.00000
3 1 2 0.26 0.26 180.00000
0 10 2 0.13 0.12 0.00000
3 -1 -5 0.22 0.21 180.00000
4 4 1 0.02 0.02 0.00000
4 -10 -2 0.17 0.17 0.00000
4 -4 -5 0.09 0.09 0.00000
4 8 0 6.37 6.26 0.00000
6 -4 -1 0.09 0.09 0.00000
4 -8 -4 6.08 5.66 0.00000
1 5 3 0.18 0.17 180.00000
7 -1 -2 0.26 0.24 180.00000
1 -5 -4 0.68 0.64 180.00000
1 9 2 0.81 0.77 180.00000
1 -9 -3 0.17 0.16 0.00000
6 -4 -5 0.04 0.04 0.00000
7 -1 -5 0.14 0.14 180.00000
5 5 0 0.32 0.30 180.00000
0 12 0 2.95 2.69 180.00000
3 3 2 0.16 0.15 0.00000
1 11 1 0.92 0.84 180.00000
5 -9 -2 0.81 0.74 180.00000
1 -11 -2 0.18 0.16 0.00000
5 -9 -3 0.18 0.16 0.00000
5 -5 -5 0.09 0.09 0.00000
3 -3 -5 0.40 0.36 180.00000
3 -11 -1 0.69 0.62 180.00000
3 -11 -2 0.10 0.09 0.00000
2 10 1 5.29 4.91 180.00000
7 -5 -3 0.20 0.19 180.00000
2 -10 -3 5.77 5.38 0.00000
7 -5 -4 0.64 0.59 180.00000
0 8 3 0.02 0.02 0.00000