#------------------------------------------------------------------------------
#$Date: 2020-01-16 07:11:11 +0200 (Thu, 16 Jan 2020) $
#$Revision: 246904 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/85/2108577.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_2108577
_cell_angle_alpha                90.000
_cell_angle_beta                 96.252
_cell_angle_gamma                90.000
_cell_length_a                   6.3050
_cell_length_b                   5.1839
_cell_length_c                   24.9434
_exptl_crystal_F_000             352.00
_reflns_d_resolution_high        0.7971
_cod_data_source_file            lo5062BZC_a3sup5.hkl
_cod_data_source_block           BZC_a3
_shelx_title                     ' final in P21/c No14'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            63.46
_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
2 0 0 329.06 373.78 4.43 o
3 0 0 3184.91 3309.42 15.53 o
4 0 0 8.36 6.41 0.76 o
5 0 0 126.42 127.37 4.77 o
1 1 0 1844.15 1687.35 28.66 o
2 1 0 78.83 75.40 1.41 o
3 1 0 0.95 1.52 0.23 o
4 1 0 54.61 51.64 1.85 o
5 1 0 65.06 64.08 2.72 o
6 1 0 5.26 6.14 2.64 o
0 2 0 110.70 93.56 2.75 o
1 2 0 365.40 465.58 4.16 o
3 2 0 515.63 635.07 6.47 o
4 2 0 568.92 552.68 6.85 o
5 2 0 23.00 18.64 1.53 o
1 3 0 4.49 7.32 0.69 o
2 3 0 1.22 3.19 0.28 o
3 3 0 296.20 316.32 4.85 o
4 3 0 300.09 338.94 5.63 o
5 3 0 12.89 16.13 2.87 o
0 4 0 40.58 49.71 3.26 o
1 4 0 33.93 29.97 1.51 o
2 4 0 33.48 28.00 1.77 o
3 4 0 73.18 67.22 3.31 o
4 4 0 0.75 0.67 0.74 o
5 4 0 13.65 10.85 3.58 o
1 5 0 122.31 130.23 7.08 o
2 5 0 134.49 137.40 5.81 o
3 5 0 1.75 0.87 1.50 o
4 5 0 21.73 16.96 2.88 o
0 6 0 16.74 15.42 2.40 o
1 6 0 29.80 29.49 3.18 o
2 6 0 52.19 55.62 9.24 o
3 6 0 11.42 10.78 3.28 o
-6 1 1 13.14 15.69 1.55 o
-5 1 1 132.63 150.90 4.84 o
-4 1 1 284.27 262.59 4.05 o
-3 1 1 644.04 651.23 4.25 o
-2 1 1 336.39 279.25 2.68 o
-1 1 1 4026.70 3642.16 34.22 o
0 1 1 2301.14 2016.85 14.03 o
1 1 1 107.70 137.90 2.49 o
2 1 1 31.44 37.92 1.13 o
3 1 1 290.79 342.19 4.24 o
4 1 1 0.20 0.23 0.28 o
5 1 1 11.97 13.10 1.76 o
-6 2 1 213.46 197.17 7.70 o
-5 2 1 2.34 2.11 0.51 o
-4 2 1 5.40 6.05 0.63 o
-3 2 1 23.17 26.06 1.11 o
-2 2 1 230.64 252.78 2.52 o
-1 2 1 90.47 102.00 1.73 o
0 2 1 489.49 446.89 3.74 o
1 2 1 12.44 10.68 0.61 o
2 2 1 77.58 90.60 1.77 o
3 2 1 0.22 0.05 0.22 o
4 2 1 223.69 191.56 4.44 o
5 2 1 15.36 12.15 2.81 o
-6 3 1 44.32 44.57 6.31 o
-5 3 1 34.15 26.54 2.08 o
-4 3 1 746.27 761.37 8.24 o
-3 3 1 12.54 14.32 1.00 o
-2 3 1 423.54 412.54 4.34 o
-1 3 1 513.21 547.31 5.21 o
0 3 1 0.61 0.22 0.16 o
1 3 1 123.53 127.09 2.80 o
2 3 1 83.81 89.28 2.72 o
3 3 1 608.87 672.04 8.82 o
4 3 1 4.97 4.63 0.88 o
-5 4 1 2.27 1.86 1.50 o
-4 4 1 2.51 3.81 0.80 o
-3 4 1 1.24 2.24 0.99 o
-2 4 1 0.15 0.55 0.40 o
-1 4 1 24.18 17.10 0.72 o
0 4 1 133.04 149.45 4.03 o
1 4 1 1.55 2.29 0.50 o
2 4 1 32.83 35.32 2.07 o
3 4 1 243.39 254.80 7.21 o
4 4 1 1.46 1.39 0.84 o
-4 5 1 2.28 5.61 1.72 o
-3 5 1 3.36 3.84 0.76 o
-2 5 1 40.35 39.81 3.04 o
-1 5 1 48.01 46.75 2.66 o
0 5 1 5.63 7.83 1.01 o
1 5 1 1.70 2.19 0.83 o
2 5 1 97.67 116.17 8.95 o
3 5 1 7.86 7.82 1.52 o
-3 6 1 23.45 16.73 5.87 o
-2 6 1 5.76 5.98 2.05 o
-1 6 1 13.44 8.31 1.53 o
0 6 1 14.72 9.81 2.83 o
1 6 1 3.69 4.51 2.59 o
2 6 1 0.94 0.53 2.98 o
-7 0 2 0.65 -1.00 1.53 o
-6 0 2 91.94 105.10 5.32 o
-5 0 2 159.94 141.08 4.71 o
-4 0 2 1468.32 1405.71 13.06 o
-3 0 2 63.09 53.10 1.82 o
-2 0 2 376.19 451.69 4.70 o
3 0 2 507.46 534.20 19.89 o
-7 1 2 17.37 16.67 2.53 o
-6 1 2 5.78 5.01 0.75 o
-5 1 2 0.12 -0.08 0.40 o
-4 1 2 181.61 173.07 3.25 o
-3 1 2 70.26 54.11 1.19 o
-2 1 2 297.54 298.00 2.71 o
-1 1 2 565.82 514.74 4.55 o
0 1 2 3606.36 2880.05 25.22 o
1 1 2 555.99 466.94 18.30 o
2 1 2 194.08 183.77 5.74 o
3 1 2 1063.83 911.90 10.01 o
-7 2 2 30.99 29.22 9.31 o
-6 2 2 18.04 15.70 1.48 o
-5 2 2 12.53 11.37 1.15 o
-4 2 2 71.21 78.51 2.33 o
-3 2 2 78.55 72.62 2.18 o
-2 2 2 4.40 6.11 0.41 o
-1 2 2 159.76 221.92 2.75 o
0 2 2 383.12 349.29 3.90 o
1 2 2 126.88 151.69 2.63 o
2 2 2 164.42 169.14 3.26 o
3 2 2 10.31 8.81 0.99 o
4 2 2 24.88 20.38 4.94 o
-6 3 2 1.79 0.43 0.75 o
-5 3 2 6.84 6.26 1.02 o
-4 3 2 35.28 38.06 1.89 o
-3 3 2 45.40 55.50 1.99 o
-2 3 2 68.03 70.42 1.83 o
-1 3 2 33.43 33.72 1.43 o
0 3 2 783.59 936.21 7.89 o
1 3 2 65.36 53.88 2.01 o
2 3 2 0.89 1.41 0.32 o
3 3 2 210.68 179.39 6.81 o
-6 4 2 2.13 3.40 0.75 o
-5 4 2 15.87 16.50 2.00 o
-4 4 2 28.06 37.07 2.34 o
-3 4 2 68.59 62.14 3.72 o
-2 4 2 9.49 7.44 0.81 o
-1 4 2 0.24 0.27 0.47 o
0 4 2 7.26 4.69 0.83 o
1 4 2 16.76 16.29 1.54 o
2 4 2 196.67 222.97 13.16 o
3 4 2 144.55 149.74 14.41 o
-5 5 2 2.72 3.14 1.96 o
-4 5 2 0.38 2.00 0.90 o
-3 5 2 57.41 67.15 3.86 o
-2 5 2 21.58 18.66 2.12 o
-1 5 2 9.03 8.78 1.14 o
0 5 2 0.66 -0.50 0.50 o
1 5 2 3.08 3.14 1.30 o
2 5 2 37.49 38.00 5.05 o
-3 6 2 81.08 60.43 15.67 o
-2 6 2 0.26 0.59 2.80 o
-1 6 2 34.97 30.90 15.83 o
0 6 2 0.02 -2.36 2.36 o
1 6 2 18.66 21.68 7.66 o
-7 1 3 13.76 6.83 2.11 o
-6 1 3 0.29 0.54 0.68 o
-5 1 3 18.79 18.81 1.21 o
-4 1 3 54.43 66.81 2.03 o
-3 1 3 39.95 31.05 0.99 o
-2 1 3 247.03 221.97 2.84 o
-1 1 3 11.76 12.92 2.04 o
-7 2 3 17.47 18.71 2.49 o
-6 2 3 28.56 30.57 2.36 o
-5 2 3 46.65 42.93 2.30 o
-4 2 3 201.95 191.62 3.66 o
-3 2 3 34.30 33.77 1.32 o
-2 2 3 56.77 47.18 1.37 o
-1 2 3 1974.39 2099.57 10.48 o
0 2 3 306.79 296.64 5.99 o
1 2 3 253.95 247.16 8.95 o
-7 3 3 33.45 42.97 11.21 o
-6 3 3 28.77 31.22 2.69 o
-5 3 3 0.27 0.78 0.64 o
-4 3 3 185.83 191.46 4.32 o
-3 3 3 132.48 144.41 3.42 o
-2 3 3 0.50 0.19 0.28 o
-1 3 3 246.50 292.54 4.54 o
0 3 3 87.99 106.32 2.84 o
1 3 3 36.99 40.20 2.72 o
2 3 3 2.11 2.02 0.51 o
-6 4 3 8.77 6.26 1.96 o
-5 4 3 3.59 3.69 1.17 o
-4 4 3 24.57 22.39 1.84 o
-3 4 3 0.88 -0.71 0.71 o
-2 4 3 5.94 2.87 0.85 o
-1 4 3 37.29 48.13 2.41 o
0 4 3 4.29 3.18 0.51 o
1 4 3 1.87 4.56 1.50 o
2 4 3 50.73 57.17 4.66 o
-4 5 3 9.17 14.46 2.76 o
-3 5 3 36.61 40.85 3.39 o
-2 5 3 0.63 0.30 0.62 o
-1 5 3 34.51 27.70 3.56 o
0 5 3 23.41 30.57 3.35 o
1 5 3 12.26 11.29 2.31 o
-3 6 3 10.42 15.86 10.82 o
-2 6 3 3.93 2.48 1.52 o
-1 6 3 2.40 6.03 3.05 o
-7 0 4 118.59 141.83 11.32 o
-6 0 4 20.60 19.83 2.33 o
-5 0 4 93.19 93.06 4.20 o
-4 0 4 366.59 383.20 8.46 o
-3 0 4 163.85 145.69 4.69 o
-2 0 4 2053.03 2627.49 443.45 o
-7 1 4 14.26 19.12 2.52 o
-6 1 4 2.19 1.97 0.80 o
-5 1 4 140.81 128.98 3.39 o
-4 1 4 313.63 323.79 4.83 o
-3 1 4 2.49 2.28 0.23 o
-2 1 4 20.79 17.37 1.43 o
-7 2 4 23.16 27.74 3.14 o
-5 2 4 88.76 77.89 3.35 o
-4 2 4 69.02 61.02 2.37 o
-3 2 4 181.89 188.31 3.39 o
-2 2 4 234.34 222.48 7.28 o
-1 2 4 7.80 10.48 1.49 o
-7 3 4 5.56 9.60 3.31 o
-6 3 4 25.81 39.30 3.15 o
-5 3 4 2.55 4.53 0.90 o
-4 3 4 194.70 248.24 5.42 o
-3 3 4 3.38 4.23 0.41 o
-2 3 4 0.42 0.70 0.31 o
-1 3 4 93.30 119.76 3.52 o
-6 4 4 1.48 1.92 2.84 o
-5 4 4 2.22 3.15 1.39 o
-4 4 4 94.22 99.90 6.61 o
-3 4 4 0.87 1.13 0.46 o
-2 4 4 31.37 27.09 2.18 o
-1 4 4 106.83 91.98 7.19 o
0 4 4 48.06 47.11 8.11 o
-5 5 4 8.55 4.60 5.10 o
-4 5 4 0.07 3.13 1.93 o
-3 5 4 95.86 100.82 20.33 o
-2 5 4 0.13 0.08 1.58 o
-1 5 4 1.13 0.55 1.72 o
-7 1 5 3.00 1.26 2.03 o
-6 1 5 2.71 2.50 1.09 o
-5 1 5 227.29 227.34 6.60 o
-4 1 5 31.59 32.68 1.69 o
-3 1 5 29.56 40.63 2.97 o
-7 2 5 9.92 10.53 3.11 o
-6 2 5 16.70 19.04 2.02 o
-5 2 5 334.30 396.91 13.15 o
-4 2 5 1.27 -0.01 0.55 o
-3 2 5 36.95 30.68 1.97 o
-2 2 5 119.66 83.08 26.53 o
-7 3 5 108.82 71.30 58.62 o
-6 3 5 0.02 -0.04 2.19 o
-5 3 5 14.99 13.57 1.72 o
-4 3 5 353.38 331.19 25.28 o
-3 3 5 0.68 0.84 0.44 o
-2 3 5 63.20 50.84 6.30 o
-6 4 5 3.08 5.63 10.56 o
-5 4 5 19.14 2.64 7.23 o
-4 4 5 11.96 5.76 6.31 o
-3 4 5 19.72 20.11 7.74 o
-1 4 5 1.08 0.89 2.77 o
-6 0 6 60.02 50.11 11.10 o
-5 0 6 15.11 10.59 4.13 o
-7 1 6 0.10 -7.08 7.08 o
-6 1 6 3.69 3.62 1.81 o
-5 1 6 21.10 28.27 3.17 o
-4 1 6 282.67 305.74 44.26 o
-6 2 6 1.66 2.72 5.71 o
-5 2 6 295.56 287.55 41.64 o
-4 2 6 12.83 11.77 2.09 o
-5 3 6 18.99 8.43 5.32 o
-3 3 6 7.19 3.75 1.05 o