#------------------------------------------------------------------------------
#$Date: 2020-01-16 07:11:11 +0200 (Thu, 16 Jan 2020) $
#$Revision: 246904 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/85/2108576.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_2108576
_cell_angle_alpha                90.000
_cell_angle_beta                 91.548
_cell_angle_gamma                90.000
_cell_length_a                   8.2354
_cell_length_b                   5.4015
_cell_length_c                   19.5193
_exptl_crystal_F_000             352.00
_reflns_d_resolution_high        0.7876
_cod_data_source_file            lo5062BZC_a2sup4.hkl
_cod_data_source_block           BZC_a2
_shelx_title                     ' final_a.res in P2(1)/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            104.04
_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
0 2 0 436.31 434.46 4.04 o
1 2 0 29.22 27.09 1.20 o
1 3 0 123.62 101.32 1.84 o
0 4 0 0.41 -0.88 1.07 o
1 4 0 3.13 -0.80 3.83 o
1 5 0 0.12 5.42 2.14 o
0 6 0 0.00 -2.15 3.01 o
0 1 1 909.50 868.88 10.94 o
-1 2 1 137.28 128.11 2.84 o
0 2 1 369.67 341.04 2.32 o
1 2 1 50.81 47.30 1.25 o
-1 3 1 80.02 79.71 1.67 o
0 3 1 15.70 17.62 0.63 o
1 3 1 183.69 187.52 2.44 o
-1 4 1 24.98 28.37 1.82 o
0 4 1 223.27 247.54 3.43 o
1 4 1 0.05 0.10 1.16 o
-1 5 1 3.65 8.18 3.93 o
0 5 1 6.23 3.33 2.15 o
1 5 1 2.18 1.94 1.87 o
0 6 1 2.11 4.09 2.02 o
0 1 2 1818.49 1767.95 13.33 o
-1 2 2 70.76 75.08 2.05 o
0 2 2 8.17 9.49 0.45 o
1 2 2 126.22 114.46 2.87 o
-1 3 2 67.91 66.70 1.56 o
0 3 2 831.99 895.33 3.86 o
1 3 2 6.37 5.71 0.68 o
-1 4 2 0.18 0.22 0.97 o
0 4 2 112.49 102.87 2.09 o
1 4 2 7.83 8.32 1.21 o
-1 5 2 0.03 -1.04 2.47 o
0 5 2 2.80 0.43 1.62 o
1 5 2 0.47 0.39 1.83 o
0 6 2 9.64 8.65 2.17 o
0 1 3 2754.69 2820.11 17.08 o
-1 2 3 1075.67 1032.98 7.69 o
0 2 3 665.06 687.09 4.86 o
1 2 3 59.74 66.73 1.77 o
-1 3 3 0.17 1.20 0.65 o
0 3 3 1012.71 1086.12 6.01 o
1 3 3 30.17 30.69 1.06 o
-1 4 3 36.94 38.20 1.87 o
0 4 3 35.72 38.18 1.41 o
1 4 3 14.94 13.46 1.36 o
-1 5 3 0.58 -2.31 2.31 o
0 5 3 2.36 1.50 1.45 o
1 5 3 8.21 4.77 1.96 o
0 6 3 3.66 0.50 2.61 o
0 0 4 4605.03 4392.77 25.62 o
0 1 4 10824.50 9944.82 45.38 o
-1 2 4 220.61 213.35 2.77 o
0 2 4 409.17 431.16 3.03 o
1 2 4 671.51 589.75 6.77 o
-1 3 4 41.18 38.87 1.56 o
0 3 4 7.88 5.35 0.57 o
1 3 4 88.02 80.40 1.90 o
-1 4 4 2.68 1.80 1.15 o
0 4 4 0.05 0.79 0.84 o
1 4 4 0.45 -0.10 1.02 o
-1 5 4 0.15 1.64 2.08 o
0 5 4 1.55 2.80 1.42 o
1 5 4 4.61 6.45 2.10 o
0 6 4 1.39 2.03 2.47 o
0 1 5 10326.03 10069.73 102.04 o
1 1 5 76.14 64.02 4.71 o
-1 2 5 10.01 11.50 0.72 o
0 2 5 742.37 807.03 4.39 o
1 2 5 235.92 255.94 2.99 o
-1 3 5 28.73 30.68 1.52 o
0 3 5 51.22 58.05 1.23 o
1 3 5 7.46 9.27 0.80 o
-1 4 5 16.04 13.91 1.36 o
0 4 5 101.97 105.65 2.23 o
1 4 5 23.15 18.39 1.51 o
-1 5 5 3.71 5.90 4.65 o
0 5 5 21.16 23.38 1.78 o
1 5 5 22.54 16.02 2.53 o
0 6 5 8.22 11.60 3.20 o
0 0 6 1956.89 2010.98 15.57 o
-1 1 6 26.24 22.71 2.07 o
0 1 6 5.27 5.29 0.35 o
1 1 6 67.64 67.11 1.80 o
-1 2 6 58.59 62.87 1.35 o
0 2 6 172.54 203.71 1.85 o
1 2 6 27.01 25.69 0.93 o
-1 3 6 35.49 36.75 1.37 o
0 3 6 25.04 26.03 0.93 o
1 3 6 0.40 0.31 0.69 o
-1 4 6 51.77 60.56 2.49 o
0 4 6 0.94 1.31 1.02 o
1 4 6 3.66 3.83 1.10 o
-1 5 6 0.16 0.80 2.80 o
0 5 6 4.41 5.10 1.40 o
1 5 6 30.68 25.43 3.26 o
0 6 6 6.03 9.93 2.71 o
-1 1 7 13.42 13.91 0.84 o
0 1 7 2631.52 2621.39 18.04 o
1 1 7 3.13 2.24 0.44 o
-1 2 7 0.13 -0.56 0.56 o
0 2 7 615.15 682.21 4.88 o
1 2 7 8.01 7.37 0.58 o
-1 3 7 131.78 140.26 2.68 o
0 3 7 0.44 0.84 0.65 o
1 3 7 53.18 56.11 1.76 o
-1 4 7 0.30 1.51 1.22 o
0 4 7 3.31 0.82 1.02 o
1 4 7 6.25 5.50 1.17 o
-1 5 7 6.19 4.21 2.45 o
0 5 7 74.55 72.19 2.76 o
1 5 7 7.31 3.03 2.65 o
0 6 7 0.00 -1.44 2.59 o
-1 0 8 33.05 33.37 2.08 o
0 0 8 1.27 1.10 0.41 o
1 0 8 70.00 65.96 3.72 o
-1 1 8 2862.68 2738.93 8.39 o
0 1 8 152.89 146.50 1.52 o
1 1 8 361.22 376.95 6.76 o
-1 2 8 101.90 110.81 2.09 o
0 2 8 2657.57 2861.54 11.78 o
1 2 8 111.99 109.12 1.78 o
-1 3 8 0.64 1.23 0.87 o
0 3 8 14.06 14.57 1.00 o
1 3 8 2.16 0.28 0.86 o
-1 4 8 22.68 25.83 1.94 o
0 4 8 34.03 41.00 1.98 o
1 4 8 0.03 -0.32 1.20 o
-1 5 8 1.67 -3.26 7.82 o
0 5 8 7.51 6.57 1.70 o
1 5 8 8.83 11.60 2.83 o
0 6 8 0.04 1.96 2.25 o
-1 1 9 458.84 423.75 3.05 o
0 1 9 11.71 13.72 0.60 o
1 1 9 2.24 5.03 0.67 o
-1 2 9 166.77 146.39 2.45 o
0 2 9 1914.40 2020.22 11.75 o
1 2 9 1.28 1.05 0.63 o
-1 3 9 4.46 4.74 1.02 o
0 3 9 0.61 1.70 0.82 o
1 3 9 65.63 66.61 2.21 o
-1 4 9 8.91 8.52 1.63 o
0 4 9 0.01 0.54 1.22 o
1 4 9 44.05 42.65 2.29 o
0 5 9 33.24 31.37 2.21 o
1 5 9 1.97 5.11 3.80 o
0 6 9 0.02 2.38 2.74 o
-1 0 10 25.19 27.00 1.40 o
0 0 10 130.35 130.30 1.91 o
1 0 10 1.09 0.46 0.75 o
-1 1 10 3.57 3.10 0.51 o
0 1 10 49.24 50.41 0.95 o
1 1 10 24.81 24.08 0.89 o
-1 2 10 10.96 10.78 0.89 o
0 2 10 7.05 5.50 0.66 o
1 2 10 0.38 1.94 1.68 o
-1 3 10 15.50 16.09 1.38 o
0 3 10 118.80 125.77 2.39 o
1 3 10 9.90 11.49 1.28 o
-1 4 10 15.01 20.28 2.81 o
0 4 10 5.85 4.28 1.34 o
1 4 10 28.66 24.64 1.94 o
0 5 10 3.45 4.92 1.60 o
1 5 10 0.07 2.41 2.44 o
0 6 10 6.23 5.94 2.65 o
-1 1 11 188.52 193.59 2.87 o
0 1 11 1189.48 1275.64 5.79 o
1 1 11 2.56 1.72 0.63 o
-1 2 11 21.31 22.06 1.18 o
0 2 11 91.52 89.66 1.71 o
1 2 11 46.03 50.99 1.71 o
-1 3 11 0.08 1.25 1.16 o
0 3 11 3.77 6.12 1.04 o
1 3 11 3.43 5.38 1.10 o
-1 4 11 9.75 11.48 2.64 o
0 4 11 36.00 33.51 1.98 o
1 4 11 15.17 12.35 1.62 o
0 5 11 1.10 4.27 1.68 o
1 5 11 7.51 -0.04 5.30 o
0 6 11 0.63 5.36 4.05 o
-1 0 12 340.28 280.13 4.57 o
0 0 12 483.08 460.48 4.03 o
1 0 12 75.23 81.27 2.61 o
-1 1 12 3.03 2.66 0.95 o
0 1 12 174.79 197.91 2.58 o
1 1 12 34.41 28.91 1.26 o
-1 2 12 378.76 383.52 4.40 o
0 2 12 195.18 199.65 2.79 o
1 2 12 2.15 4.01 1.10 o
-1 3 12 1.95 1.76 1.30 o
0 3 12 98.77 93.58 2.24 o
1 3 12 0.44 -0.73 1.13 o
-1 4 12 6.66 12.87 4.04 o
0 4 12 17.01 20.61 1.76 o
1 4 12 3.64 0.79 1.45 o
0 5 12 2.38 4.47 1.75 o
0 6 12 2.95 -5.56 7.10 o
-1 1 13 0.03 0.69 0.98 o
0 1 13 1.05 3.19 0.75 o
1 1 13 22.26 19.95 1.21 o
-1 2 13 271.19 266.81 4.04 o
0 2 13 83.57 90.12 2.31 o
1 2 13 33.82 35.48 1.71 o
-1 3 13 48.69 50.20 2.62 o
0 3 13 264.92 292.16 4.23 o
1 3 13 26.26 28.04 1.77 o
-1 4 13 3.91 5.23 2.79 o
0 4 13 0.05 -0.85 1.68 o
1 4 13 2.15 0.14 1.80 o
0 5 13 8.83 10.20 2.19 o
-1 0 14 2.36 0.90 1.66 o
0 0 14 174.79 170.86 3.56 o
1 0 14 0.98 -1.56 1.56 o
-1 1 14 0.04 0.90 1.18 o
0 1 14 81.98 90.31 1.96 o
1 1 14 0.46 -0.88 0.88 o
-1 2 14 9.94 10.49 1.34 o
0 2 14 88.89 92.12 2.59 o
1 2 14 2.36 0.94 1.14 o
-1 3 14 13.28 13.23 3.43 o
0 3 14 30.66 37.74 1.83 o
1 3 14 23.31 20.66 1.59 o
0 4 14 48.67 49.44 2.80 o
1 4 14 3.31 -1.78 2.08 o
0 5 14 1.03 -0.03 2.04 o
-1 1 15 50.46 53.03 2.48 o
0 1 15 24.68 24.55 1.30 o
1 1 15 8.28 5.46 0.97 o
-1 2 15 50.77 46.72 2.82 o
0 2 15 15.82 17.33 1.54 o
1 2 15 0.95 1.02 1.34 o
-1 3 15 4.98 4.77 2.80 o
0 3 15 2.29 1.86 1.33 o
1 3 15 13.30 16.06 1.64 o
0 4 15 3.16 2.77 1.59 o
1 4 15 14.28 9.04 3.04 o
0 5 15 0.01 8.32 3.46 o
-1 0 16 73.79 66.39 6.21 o
0 0 16 383.35 446.74 9.55 o
1 0 16 17.68 25.92 4.38 o
-1 1 16 53.11 53.18 2.50 o
0 1 16 17.58 17.43 1.24 o
1 1 16 1.32 2.36 1.13 o
-1 2 16 37.42 36.84 5.55 o
0 2 16 8.12 8.81 1.54 o
1 2 16 0.92 0.30 1.45 o
0 3 16 128.69 127.69 3.56 o
1 3 16 0.77 -1.77 1.77 o
0 4 16 9.79 8.91 1.92 o
1 4 16 3.60 -0.51 2.88 o
0 5 16 1.39 -0.87 3.66 o
-1 1 17 6.83 3.86 1.81 o
0 1 17 0.47 2.34 1.24 o
1 1 17 13.16 8.11 1.58 o
0 2 17 1.64 2.25 1.38 o
1 2 17 4.21 2.09 1.53 o
0 3 17 13.12 11.95 1.73 o
1 3 17 1.90 -1.10 2.00 o
0 4 17 10.61 11.09 2.11 o
0 0 18 45.88 40.92 5.31 o
1 0 18 0.41 -2.20 2.20 o
0 1 18 5.03 5.79 1.38 o
1 1 18 0.47 1.87 1.77 o
0 2 18 0.53 0.80 1.48 o
1 2 18 15.66 9.38 1.93 o
0 3 18 25.71 33.22 2.69 o
1 3 18 2.14 2.53 3.72 o
0 4 18 26.85 22.93 2.47 o
0 1 19 44.41 48.61 3.62 o
1 1 19 0.08 0.58 1.98 o
0 2 19 6.94 7.49 1.60 o
1 2 19 5.84 2.56 2.05 o
0 3 19 0.28 0.14 1.96 o
0 4 19 0.04 3.22 4.01 o
0 0 20 1.54 1.04 2.69 o
1 0 20 3.40 -3.05 3.05 o
0 1 20 21.31 19.59 2.50 o
1 1 20 0.47 -1.12 2.51 o
0 2 20 4.67 5.90 1.96 o
1 2 20 0.03 -2.42 3.37 o
0 3 20 3.59 1.61 1.81 o
0 1 21 4.81 9.30 3.12 o
1 1 21 1.15 -0.71 4.02 o
0 2 21 4.30 1.93 2.12 o
0 3 21 2.35 -1.14 2.55 o
0 0 22 13.54 12.36 3.61 o
0 1 22 1.62 -1.53 3.00 o
0 2 22 6.02 1.53 4.56 o
0 3 22 4.95 5.24 7.03 o
0 1 23 0.21 -2.93 3.54 o
0 2 23 11.03 20.20 7.29 o
0 0 24 0.17 -7.93 7.93 o
0 1 24 5.77 6.24 4.80 o