#------------------------------------------------------------------------------
#$Date: 2020-01-16 07:11:11 +0200 (Thu, 16 Jan 2020) $
#$Revision: 246904 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/85/2108582.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_2108582
_cell_angle_alpha                90.000
_cell_angle_beta                 96.576
_cell_angle_gamma                90.000
_cell_length_a                   6.3399
_cell_length_b                   5.1789
_cell_length_c                   24.8003
_exptl_crystal_F_000             352.00
_reflns_d_resolution_high        0.8126
_cod_data_source_file            lo5062BZC_b3sup10.hkl
_cod_data_source_block           BZC_b3
_shelx_title                     ' 1 in P21/c No14'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            63.12
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
1 0 0 244.04 308.70 9.16 o
2 0 0 307.55 377.44 6.83 o
3 0 0 2687.15 3200.13 79.75 o
4 0 0 11.64 10.44 1.94 o
5 0 0 79.23 110.22 8.63 o
6 0 0 15.18 15.65 3.46 o
1 1 0 1779.43 1644.11 15.60 o
2 1 0 70.35 73.33 2.57 o
3 1 0 1.45 1.42 0.31 o
4 1 0 41.18 45.56 2.66 o
5 1 0 37.26 48.86 3.81 o
6 1 0 2.96 5.63 1.65 o
7 1 0 0.57 0.99 1.85 o
1 2 0 288.90 417.05 5.79 o
2 2 0 6.10 9.12 1.19 o
3 2 0 448.37 545.73 16.78 o
4 2 0 387.25 521.16 15.03 o
5 2 0 11.46 10.78 1.72 o
6 2 0 40.94 25.58 9.17 o
7 2 0 5.34 3.04 2.49 o
1 3 0 2.37 5.75 0.57 o
2 3 0 3.28 4.23 0.89 o
3 3 0 204.33 270.30 11.06 o
4 3 0 192.87 259.21 13.73 o
5 3 0 6.28 8.34 2.08 o
6 3 0 24.06 19.85 6.71 o
0 4 0 50.91 43.24 5.35 o
1 4 0 26.09 28.58 3.45 o
2 4 0 17.46 23.06 2.85 o
3 4 0 50.98 61.08 4.72 o
4 4 0 0.65 -0.62 1.54 o
5 4 0 5.66 6.50 1.81 o
6 4 0 11.22 6.90 9.33 o
1 5 0 49.30 85.13 8.54 o
2 5 0 52.67 92.48 9.97 o
3 5 0 1.95 2.71 2.06 o
4 5 0 13.54 8.73 3.27 o
0 6 0 10.81 1.96 3.86 o
1 6 0 13.05 15.73 4.31 o
2 6 0 18.85 17.45 10.95 o
-7 1 1 0.23 0.87 1.85 o
-6 1 1 9.19 11.34 2.05 o
-5 1 1 95.36 123.50 8.64 o
-4 1 1 229.35 235.45 7.31 o
-3 1 1 654.13 599.11 9.82 o
-2 1 1 315.37 277.82 4.82 o
-1 1 1 3983.75 3705.86 39.58 o
0 1 1 1973.90 2088.21 22.16 o
2 1 1 37.52 33.42 1.70 o
3 1 1 322.86 332.09 7.93 o
4 1 1 0.04 0.40 0.70 o
5 1 1 8.92 11.76 2.23 o
-7 2 1 1.29 -0.93 1.85 o
-6 2 1 124.36 149.08 10.73 o
-5 2 1 2.50 1.98 0.80 o
-4 2 1 5.88 8.55 1.39 o
-3 2 1 17.87 21.31 2.23 o
-2 2 1 200.15 228.84 5.11 o
-1 2 1 118.51 106.22 3.85 o
0 2 1 490.88 408.65 31.74 o
1 2 1 13.30 11.16 0.97 o
2 2 1 80.80 76.48 3.18 o
3 2 1 0.05 -0.24 0.48 o
4 2 1 146.94 166.84 7.21 o
5 2 1 7.71 7.79 1.55 o
-6 3 1 30.47 18.50 6.60 o
-5 3 1 25.77 22.05 2.96 o
-4 3 1 500.05 728.67 19.21 o
-3 3 1 8.66 11.04 1.53 o
-2 3 1 371.90 388.36 8.36 o
-1 3 1 373.70 516.43 10.20 o
0 3 1 0.16 0.60 0.44 o
1 3 1 110.20 117.49 4.43 o
2 3 1 62.21 84.99 5.37 o
3 3 1 407.06 576.26 12.99 o
5 3 1 8.21 8.61 2.93 o
6 3 1 47.87 14.93 19.21 o
-6 4 1 2.16 0.64 1.84 o
-5 4 1 0.53 -0.08 1.61 o
-4 4 1 0.28 1.58 1.11 o
-3 4 1 0.62 1.32 1.32 o
-2 4 1 0.38 1.40 1.04 o
-1 4 1 15.23 13.59 2.09 o
0 4 1 84.79 118.02 5.92 o
1 4 1 1.51 0.83 0.95 o
2 4 1 24.39 26.52 3.05 o
3 4 1 165.07 134.21 23.50 o
4 4 1 1.71 -0.12 1.05 o
5 4 1 0.76 4.27 1.76 o
6 4 1 1.62 0.74 1.64 o
-4 5 1 1.16 0.87 1.40 o
-3 5 1 0.49 4.41 1.62 o
-2 5 1 19.96 32.50 4.81 o
-1 5 1 26.67 39.89 5.28 o
0 5 1 3.28 3.28 1.75 o
1 5 1 1.44 2.69 1.17 o
2 5 1 41.42 62.15 12.66 o
3 5 1 4.37 5.06 3.23 o
4 5 1 2.32 0.98 1.29 o
-2 6 1 2.79 4.57 1.35 o
-1 6 1 6.49 2.75 1.31 o
0 6 1 5.18 5.60 3.06 o
1 6 1 1.29 0.81 5.28 o
2 6 1 0.09 -0.42 3.29 o
-7 0 2 0.51 2.78 3.47 o
-5 0 2 128.79 142.99 8.47 o
-4 0 2 1308.22 1473.42 31.42 o
-3 0 2 74.91 60.89 3.40 o
-2 0 2 391.43 444.74 8.09 o
-1 0 2 1134.06 979.66 27.03 o
2 0 2 319.44 295.18 26.07 o
3 0 2 460.38 440.36 42.42 o
4 0 2 89.07 79.46 6.34 o
5 0 2 4.49 2.79 1.50 o
6 0 2 18.01 3.11 12.09 o
-7 1 2 8.66 11.58 2.90 o
-6 1 2 3.88 4.74 1.46 o
-5 1 2 0.11 -0.31 0.61 o
-4 1 2 148.32 174.77 4.85 o
-3 1 2 58.13 40.22 3.11 o
-2 1 2 249.31 269.51 6.22 o
-1 1 2 584.49 488.19 9.60 o
1 1 2 472.27 396.30 28.85 o
2 1 2 157.41 163.99 5.50 o
3 1 2 758.78 808.85 35.62 o
4 1 2 1.74 1.33 1.04 o
5 1 2 10.52 8.09 3.82 o
6 1 2 0.27 1.34 3.52 o
-7 2 2 17.48 19.46 3.52 o
-6 2 2 13.03 11.29 2.13 o
-5 2 2 7.85 6.46 1.27 o
-4 2 2 59.04 67.16 4.71 o
-3 2 2 64.11 63.45 4.57 o
-2 2 2 5.27 7.09 0.96 o
-1 2 2 138.65 187.96 4.51 o
0 2 2 292.18 322.13 8.26 o
1 2 2 111.22 129.22 3.97 o
2 2 2 131.08 133.70 4.80 o
3 2 2 7.71 4.11 2.36 o
4 2 2 13.12 14.36 2.68 o
5 2 2 6.29 4.22 1.34 o
-6 3 2 0.27 -0.70 1.39 o
-5 3 2 4.86 4.07 1.45 o
-4 3 2 28.16 35.93 4.12 o
-3 3 2 41.77 32.73 6.41 o
-2 3 2 46.53 57.12 4.45 o
-1 3 2 28.08 36.94 2.49 o
0 3 2 631.37 783.27 52.47 o
1 3 2 37.11 37.36 3.14 o
3 3 2 115.27 129.16 7.52 o
4 3 2 6.33 3.25 1.50 o
5 3 2 11.30 4.20 4.32 o
-6 4 2 2.17 4.00 2.68 o
-5 4 2 10.43 9.28 2.82 o
-4 4 2 26.87 30.68 3.74 o
-3 4 2 39.45 58.15 5.00 o
-2 4 2 4.72 3.62 1.35 o
-1 4 2 1.83 1.08 0.75 o
0 4 2 5.64 6.24 1.36 o
1 4 2 5.74 6.77 1.19 o
2 4 2 93.35 89.16 34.34 o
3 4 2 63.76 82.89 11.75 o
4 4 2 0.39 0.30 0.85 o
5 4 2 18.21 6.74 5.67 o
-4 5 2 1.03 1.79 1.87 o
-2 5 2 15.70 12.56 2.84 o
-1 5 2 4.44 6.23 1.49 o
0 5 2 0.20 -0.62 1.23 o
1 5 2 1.61 -0.41 2.93 o
2 5 2 18.23 23.31 6.31 o
3 5 2 1.37 1.62 1.81 o
4 5 2 2.27 5.16 2.68 o
-2 6 2 0.25 -2.17 4.35 o
-1 6 2 15.05 11.92 8.25 o
0 6 2 0.01 -1.14 2.27 o
1 6 2 11.83 11.23 4.13 o
2 6 2 4.60 3.11 5.62 o
-7 1 3 7.03 6.29 1.70 o
-6 1 3 0.38 -0.22 1.17 o
-5 1 3 13.87 17.05 2.12 o
-4 1 3 57.27 64.95 3.69 o
-3 1 3 30.61 29.43 1.77 o
-2 1 3 235.69 215.47 5.63 o
-1 1 3 25.90 20.30 5.09 o
2 1 3 1.01 0.13 1.10 o
3 1 3 347.01 273.26 54.03 o
4 1 3 102.81 73.31 12.99 o
-7 2 3 10.79 9.64 1.81 o
-6 2 3 18.31 23.99 3.09 o
-5 2 3 33.99 30.82 3.67 o
-4 2 3 173.70 170.00 6.70 o
-3 2 3 25.11 31.88 3.39 o
-2 2 3 50.77 38.80 2.06 o
-1 2 3 1720.46 1904.86 75.50 o
0 2 3 259.37 213.51 8.76 o
1 2 3 222.13 129.84 40.29 o
2 2 3 42.59 27.57 8.65 o
3 2 3 15.30 5.91 3.89 o
4 2 3 5.75 3.89 1.85 o
5 2 3 8.17 2.46 3.27 o
-6 3 3 11.65 12.83 3.12 o
-4 3 3 124.00 156.49 8.39 o
-3 3 3 93.27 122.65 5.96 o
-2 3 3 1.16 0.32 0.62 o
-1 3 3 253.01 238.45 8.19 o
1 3 3 30.23 17.77 4.92 o
2 3 3 0.85 1.52 0.98 o
3 3 3 14.18 4.66 6.18 o
4 3 3 57.61 15.42 17.18 o
-6 4 3 5.31 3.50 2.02 o
-5 4 3 3.76 3.08 1.62 o
-4 4 3 12.61 18.67 2.56 o
-3 4 3 0.01 -0.51 1.02 o
-2 4 3 1.34 5.06 1.65 o
-1 4 3 30.17 32.83 4.40 o
0 4 3 1.16 2.44 0.98 o
1 4 3 2.23 3.28 1.73 o
2 4 3 28.96 25.04 8.07 o
3 4 3 47.52 30.29 12.30 o
4 4 3 5.21 0.44 1.40 o
-4 5 3 2.25 6.63 3.89 o
-3 5 3 14.67 16.43 4.71 o
-2 5 3 0.93 0.30 1.72 o
-1 5 3 18.10 14.94 2.97 o
0 5 3 15.45 7.66 5.64 o
1 5 3 9.13 8.48 2.45 o
2 5 3 142.73 52.00 33.36 o
3 5 3 4.46 1.70 1.87 o
-2 6 3 2.90 4.10 3.33 o
-1 6 3 1.55 0.83 2.73 o
0 6 3 1.80 6.68 4.44 o
1 6 3 2.40 5.69 3.39 o
2 6 3 2.04 -0.04 7.43 o
-7 0 4 85.94 86.19 12.65 o
-6 0 4 11.72 15.81 3.73 o
-5 0 4 73.38 75.68 6.77 o
-4 0 4 356.35 396.29 12.60 o
-3 0 4 82.68 47.01 9.67 o
-7 1 4 6.53 10.72 2.63 o
-6 1 4 2.20 2.53 1.41 o
-5 1 4 115.74 99.58 11.60 o
-4 1 4 332.41 306.96 7.70 o
-3 1 4 2.19 2.02 0.49 o
-2 1 4 8.21 7.54 1.93 o
-7 2 4 15.65 13.25 3.27 o
-6 2 4 53.64 79.10 7.09 o
-5 2 4 59.19 61.15 4.66 o
-4 2 4 53.55 53.98 4.16 o
-3 2 4 138.01 160.13 6.61 o
-2 2 4 230.50 168.71 17.86 o
-1 2 4 12.85 13.08 3.54 o
0 2 4 18.37 6.54 5.70 o
2 2 4 16.00 6.35 3.49 o
-6 3 4 15.08 27.82 4.15 o
-5 3 4 0.37 3.37 1.69 o
-4 3 4 173.36 208.47 10.24 o
-3 3 4 0.93 3.46 2.20 o
-2 3 4 0.74 1.79 0.55 o
-1 3 4 74.13 44.52 15.17 o
0 3 4 8.10 4.41 2.53 o
1 3 4 0.08 0.74 0.67 o
2 3 4 43.70 10.51 16.54 o
3 3 4 2.78 0.11 1.15 o
-6 4 4 0.93 10.24 5.62 o
-5 4 4 1.17 -1.49 2.98 o
-4 4 4 48.16 50.74 11.68 o
-3 4 4 0.42 1.02 0.76 o
-2 4 4 9.19 3.06 4.08 o
-1 4 4 62.76 78.08 10.57 o
0 4 4 31.92 23.07 12.32 o
1 4 4 8.63 12.18 3.83 o
2 4 4 13.94 8.13 4.18 o
-4 5 4 0.17 0.34 6.31 o
-3 5 4 46.69 79.03 21.59 o
-2 5 4 1.01 0.41 2.52 o
-1 5 4 5.33 -0.43 4.95 o
0 5 4 2.44 3.09 1.84 o
1 5 4 0.27 0.56 1.22 o
2 5 4 51.83 12.22 29.98 o
-2 6 4 1.14 6.85 11.54 o
-1 6 4 7.72 2.00 5.19 o
0 6 4 16.56 6.10 9.61 o
-7 1 5 2.65 -0.40 2.96 o
-6 1 5 3.50 4.88 1.72 o
-5 1 5 208.48 206.69 15.45 o
-4 1 5 25.79 27.37 3.29 o
-3 1 5 28.02 28.21 3.29 o
-7 2 5 6.34 5.40 5.46 o
-6 2 5 13.91 8.38 2.14 o
-5 2 5 267.77 264.91 14.88 o
-4 2 5 1.33 -0.49 0.99 o
-3 2 5 28.06 24.99 3.66 o
-2 2 5 78.98 42.11 25.47 o
-6 3 5 0.94 0.28 4.39 o
-5 3 5 7.17 5.88 2.19 o
-4 3 5 272.51 299.22 30.42 o
-3 3 5 0.66 0.01 1.60 o
-2 3 5 49.47 48.88 8.39 o
-1 3 5 6.36 4.46 1.61 o
-6 4 5 1.23 15.97 13.71 o
-5 4 5 11.29 7.41 3.18 o
-4 4 5 7.61 9.79 3.43 o
-3 4 5 18.61 17.79 7.08 o
-2 4 5 156.35 97.60 29.99 o
-1 4 5 2.14 0.89 1.37 o
0 4 5 3.20 2.11 1.34 o
1 4 5 199.50 184.10 17.76 o
-4 5 5 5.93 10.31 2.75 o
-3 5 5 25.16 14.45 7.94 o
-2 5 5 5.51 3.25 3.33 o
-1 5 5 0.77 0.99 4.19 o
0 5 5 11.02 5.31 2.98 o
-6 0 6 54.33 34.12 8.39 o
-5 0 6 8.24 7.15 1.49 o
-6 1 6 3.69 2.77 3.17 o
-5 1 6 12.50 16.67 3.63 o
-4 1 6 204.28 125.07 17.54 o
-6 2 6 2.91 4.09 1.95 o
-5 2 6 225.85 241.83 32.66 o
-4 2 6 10.70 5.11 4.91 o
-3 2 6 0.20 1.90 3.66 o
-5 3 6 19.70 19.85 9.93 o
-4 3 6 85.52 50.50 9.68 o
-3 3 6 13.51 5.75 3.37 o
-2 3 6 0.26 -3.18 6.36 o
-4 4 6 4.92 -2.34 4.67 o
-3 4 6 16.94 9.20 5.86 o
-2 4 6 10.03 4.45 8.50 o