#------------------------------------------------------------------------------
#$Date: 2016-04-06 16:49:50 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181890 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/90/2239025.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_2239025
_cell_angle_alpha                90.000
_cell_angle_beta                 105.090
_cell_angle_gamma                90.000
_cell_length_a                   18.1080
_cell_length_b                   5.1040
_cell_length_c                   5.0800
_exptl_crystal_F_000             344.00
_reflns_d_resolution_high        0.8425
_cod_data_source_file            zl2574Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            95.12
_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'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'
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 0 564.58 624.89 22.10 o
4 0 0 4668.51 4468.05 87.91 o
6 0 0 105.60 99.86 3.66 o
8 0 0 727.43 702.07 9.51 o
10 0 0 606.19 580.04 9.65 o
12 0 0 223.56 235.10 7.05 o
14 0 0 874.69 902.83 13.39 o
16 0 0 0.05 2.15 1.32 o
18 0 0 96.12 103.94 5.43 o
20 0 0 6.05 8.82 1.77 o
1 1 0 113.68 81.23 1.13 o
3 1 0 204.08 229.50 2.85 o
5 1 0 1843.20 1833.33 106.46 o
7 1 0 81.66 89.69 2.61 o
9 1 0 704.25 680.22 8.50 o
11 1 0 30.23 35.26 1.75 o
13 1 0 30.10 34.77 10.05 o
15 1 0 66.86 78.21 2.59 o
17 1 0 45.98 49.31 1.90 o
19 1 0 11.82 11.37 1.91 o
0 2 0 6903.26 6920.25 128.42 o
2 2 0 153.26 167.49 4.33 o
4 2 0 1922.76 2049.63 71.83 o
6 2 0 148.82 144.79 4.76 o
8 2 0 488.81 496.02 8.79 o
10 2 0 352.04 346.04 7.98 o
12 2 0 150.56 156.57 6.07 o
14 2 0 497.19 481.57 10.24 o
16 2 0 0.20 0.22 1.42 o
18 2 0 69.17 69.84 3.45 o
1 3 0 73.89 58.80 2.20 o
3 3 0 140.34 137.82 4.87 o
5 3 0 519.27 514.18 9.06 o
7 3 0 40.68 42.31 2.00 o
9 3 0 308.04 312.84 7.87 o
11 3 0 6.92 5.22 1.30 o
13 3 0 35.27 38.32 1.67 o
15 3 0 18.63 18.04 1.71 o
17 3 0 29.45 26.95 1.98 o
0 4 0 1287.06 1261.58 14.43 o
2 4 0 36.96 40.04 2.03 o
4 4 0 509.10 519.31 9.91 o
6 4 0 54.20 50.62 2.65 o
8 4 0 181.14 181.75 6.56 o
10 4 0 122.05 119.68 5.33 o
12 4 0 63.74 69.18 2.78 o
14 4 0 186.04 165.03 7.09 o
1 5 0 19.83 20.94 1.03 o
3 5 0 48.10 51.84 2.34 o
5 5 0 136.92 135.19 5.91 o
7 5 0 10.10 11.51 1.47 o
9 5 0 89.69 86.41 4.50 o
11 5 0 1.23 1.77 1.55 o
0 6 0 286.05 287.86 8.24 o
2 6 0 12.29 13.43 1.72 o
-20 0 1 32.29 30.16 2.03 o
-18 0 1 8.30 10.65 1.60 o
-16 0 1 0.18 0.20 1.34 o
-14 0 1 33.44 37.77 1.56 o
-12 0 1 118.25 115.31 5.14 o
-10 0 1 288.69 270.49 6.65 o
-8 0 1 1586.16 1540.17 14.10 o
-6 0 1 2210.07 2263.21 71.33 o
-4 0 1 448.80 454.52 5.96 o
-2 0 1 10.00 28.10 1.54 o
0 0 1 531.33 511.28 3.71 o
2 0 1 1767.62 1794.57 49.22 o
4 0 1 301.28 335.10 5.57 o
6 0 1 3015.49 2978.21 88.86 o
8 0 1 489.90 496.44 8.56 o
10 0 1 376.53 384.11 8.34 o
12 0 1 2.67 1.49 1.21 o
14 0 1 169.10 157.61 6.54 o
16 0 1 57.00 53.98 3.35 o
18 0 1 0.13 1.86 1.62 o
-21 1 1 0.07 0.72 1.23 o
-19 1 1 102.46 107.62 3.65 o
-17 1 1 40.56 36.15 2.96 o
-15 1 1 612.02 595.34 8.04 o
-13 1 1 4.24 7.79 1.27 o
-11 1 1 725.05 721.05 9.49 o
-9 1 1 652.05 681.15 10.67 o
-7 1 1 250.59 235.00 3.90 o
-5 1 1 1829.14 1738.48 78.22 o
-3 1 1 2216.81 2242.13 45.07 o
-1 1 1 9047.83 9338.94 106.41 o
1 1 1 379.29 439.57 3.38 o
3 1 1 2025.13 1930.16 87.25 o
5 1 1 41.99 46.42 1.63 o
7 1 1 207.94 194.32 3.93 o
9 1 1 94.52 103.51 3.37 o
11 1 1 384.59 378.24 6.18 o
13 1 1 312.48 314.22 5.86 o
15 1 1 32.38 34.54 1.24 o
17 1 1 23.83 23.29 1.61 o
19 1 1 6.23 6.55 1.28 o
-20 2 1 24.01 26.16 2.05 o
-18 2 1 7.57 8.68 1.71 o
-16 2 1 0.29 -0.51 1.40 o
-14 2 1 23.46 27.69 1.56 o
-12 2 1 80.50 83.70 3.85 o
-10 2 1 251.51 245.69 6.99 o
-8 2 1 401.72 436.24 8.46 o
-6 2 1 1068.54 1013.55 12.01 o
-4 2 1 108.09 124.28 4.50 o
-2 2 1 215.58 190.97 5.11 o
0 2 1 147.17 169.21 8.69 o
2 2 1 904.12 895.85 9.76 o
4 2 1 171.51 166.07 4.82 o
6 2 1 1005.38 977.73 11.59 o
8 2 1 259.67 264.57 6.62 o
10 2 1 213.63 209.69 6.66 o
12 2 1 11.76 12.08 1.33 o
14 2 1 106.60 107.60 5.40 o
16 2 1 44.39 46.91 1.98 o
18 2 1 0.16 -1.41 1.65 o
-17 3 1 20.03 19.00 1.82 o
-15 3 1 310.65 299.78 8.64 o
-13 3 1 3.53 3.45 1.38 o
-11 3 1 351.22 340.54 8.72 o
-9 3 1 147.81 150.67 6.05 o
-7 3 1 268.79 269.30 7.21 o
-5 3 1 465.19 474.42 8.90 o
-3 3 1 567.01 601.22 9.84 o
-1 3 1 1783.37 1732.42 24.18 o
1 3 1 97.61 98.70 3.23 o
3 3 1 736.19 724.23 10.37 o
5 3 1 0.51 -0.39 0.95 o
7 3 1 228.44 217.41 6.46 o
9 3 1 26.92 25.73 1.39 o
11 3 1 189.97 185.57 6.53 o
13 3 1 130.26 131.22 6.22 o
15 3 1 18.42 15.83 1.72 o
-16 4 1 0.93 0.90 1.65 o
-14 4 1 10.38 8.87 1.70 o
-12 4 1 36.09 36.54 1.79 o
-10 4 1 97.59 102.46 4.87 o
-8 4 1 111.42 110.97 5.20 o
-6 4 1 315.37 334.13 8.25 o
-4 4 1 14.99 17.54 1.28 o
-2 4 1 123.67 121.15 5.20 o
0 4 1 12.89 15.19 0.86 o
2 4 1 301.75 288.86 7.29 o
4 4 1 48.42 48.79 2.73 o
6 4 1 291.40 276.89 7.63 o
8 4 1 94.08 106.41 5.05 o
10 4 1 72.71 65.78 3.23 o
12 4 1 8.44 10.04 1.61 o
14 4 1 42.01 39.33 2.71 o
-11 5 1 115.27 120.65 5.12 o
-9 5 1 56.86 55.42 2.48 o
-7 5 1 75.04 81.35 3.54 o
-5 5 1 119.83 124.58 5.78 o
-3 5 1 159.44 177.58 6.46 o
-1 5 1 399.05 381.46 6.27 o
1 5 1 22.01 26.26 1.95 o
3 5 1 202.64 204.14 6.98 o
5 5 1 0.33 -0.58 1.37 o
7 5 1 68.68 67.65 2.97 o
9 5 1 6.41 8.75 1.56 o
-20 0 2 48.97 52.36 3.00 o
-18 0 2 91.50 82.66 4.38 o
-16 0 2 179.01 191.10 6.95 o
-14 0 2 71.93 65.70 2.91 o
-12 0 2 446.54 447.92 9.24 o
-10 0 2 215.42 237.79 6.51 o
-8 0 2 256.94 237.67 6.12 o
-6 0 2 171.74 167.58 4.97 o
-4 0 2 1893.32 1898.47 68.48 o
-2 0 2 663.05 715.59 8.48 o
0 0 2 1266.44 1271.39 7.84 o
2 0 2 318.34 317.14 5.76 o
4 0 2 3.94 6.88 0.69 o
6 0 2 3.64 2.33 0.78 o
8 0 2 8.74 6.62 0.96 o
10 0 2 249.27 259.52 7.24 o
12 0 2 11.39 10.55 1.37 o
14 0 2 54.36 64.40 3.09 o
16 0 2 0.08 0.54 1.56 o
-21 1 2 22.13 25.51 2.58 o
-19 1 2 5.49 3.59 1.12 o
-17 1 2 41.13 45.19 2.16 o
-15 1 2 1.21 5.30 1.27 o
-13 1 2 336.17 340.48 9.66 o
-11 1 2 0.59 0.16 0.70 o
-9 1 2 1979.82 1927.32 16.02 o
-7 1 2 455.44 446.84 5.70 o
-5 1 2 1001.07 1016.43 17.52 o
-3 1 2 320.36 296.56 4.25 o
-1 1 2 466.44 528.07 7.95 o
1 1 2 1250.41 1230.87 9.87 o
3 1 2 122.32 139.59 3.16 o
5 1 2 2399.98 2422.92 87.64 o
7 1 2 23.65 25.12 0.91 o
9 1 2 387.07 392.05 6.09 o
11 1 2 1.02 -0.87 1.09 o
13 1 2 114.44 102.86 3.40 o
15 1 2 23.57 27.46 1.28 o
17 1 2 12.65 13.93 1.31 o
-20 2 2 34.69 44.88 2.12 o
-18 2 2 72.49 63.91 3.16 o
-16 2 2 161.40 162.49 6.61 o
-14 2 2 49.58 46.47 2.03 o
-12 2 2 333.10 341.02 8.84 o
-10 2 2 57.72 60.97 3.63 o
-8 2 2 230.99 222.34 6.78 o
-6 2 2 73.27 78.89 3.24 o
-4 2 2 1159.00 1163.48 13.73 o
-2 2 2 654.53 658.82 10.18 o
0 2 2 627.15 592.92 22.70 o
2 2 2 257.84 249.07 5.88 o
4 2 2 25.09 22.44 1.11 o
6 2 2 25.71 28.87 1.37 o
8 2 2 11.68 11.29 1.14 o
10 2 2 182.71 181.11 6.20 o
12 2 2 12.44 11.57 1.47 o
14 2 2 36.45 39.28 1.98 o
16 2 2 0.01 -0.26 1.61 o
-17 3 2 21.32 23.06 1.89 o
-15 3 2 0.03 0.98 1.50 o
-13 3 2 164.90 156.31 6.87 o
-11 3 2 3.47 2.68 1.34 o
-9 3 2 699.06 695.07 11.98 o
-7 3 2 201.79 186.62 6.74 o
-5 3 2 345.10 372.97 8.46 o
-3 3 2 102.57 100.69 4.75 o
-1 3 2 276.07 295.56 19.15 o
1 3 2 460.72 453.45 6.13 o
3 3 2 36.55 39.67 2.00 o
5 3 2 778.10 729.49 11.34 o
7 3 2 10.26 14.19 1.27 o
9 3 2 187.31 182.86 6.46 o
11 3 2 0.40 -0.83 1.35 o
13 3 2 73.67 78.87 3.90 o
-14 4 2 17.90 12.46 1.87 o
-12 4 2 144.51 150.99 6.55 o
-10 4 2 13.35 10.83 1.56 o
-8 4 2 112.08 127.01 6.06 o
-6 4 2 14.73 13.77 1.37 o
-4 4 2 380.32 409.56 9.36 o
-2 4 2 155.37 153.62 6.26 o
0 4 2 188.93 195.12 16.21 o
2 4 2 98.46 96.12 4.67 o
4 4 2 16.56 17.21 1.35 o
6 4 2 21.00 20.03 1.42 o
8 4 2 8.89 6.48 1.46 o
10 4 2 73.45 73.56 3.39 o
12 4 2 3.93 2.74 1.63 o
-11 5 2 0.55 4.91 1.63 o
-9 5 2 204.42 197.17 7.44 o
-7 5 2 63.21 62.20 2.94 o
-5 5 2 91.81 100.80 4.89 o
-3 5 2 58.60 51.88 2.43 o
-1 5 2 61.53 65.09 3.03 o
1 5 2 147.89 140.98 4.30 o
3 5 2 16.51 14.60 1.61 o
5 5 2 230.47 219.49 7.21 o
7 5 2 3.90 6.43 1.60 o
-20 0 3 37.50 36.69 1.99 o
-18 0 3 66.55 76.71 3.64 o
-16 0 3 16.14 12.53 1.48 o
-14 0 3 277.67 275.18 8.06 o
-12 0 3 126.60 130.44 5.49 o
-10 0 3 1275.80 1263.11 15.23 o
-8 0 3 2.63 1.89 1.00 o
-6 0 3 926.70 929.92 12.10 o
-4 0 3 177.96 151.43 5.13 o
-2 0 3 409.79 423.58 7.86 o
0 0 3 404.38 401.79 5.98 o
2 0 3 491.01 504.96 8.49 o
4 0 3 1030.39 1042.25 12.51 o
6 0 3 43.91 40.28 1.71 o
8 0 3 198.54 218.79 6.70 o
10 0 3 7.36 1.99 1.24 o
12 0 3 38.56 36.45 1.97 o
14 0 3 2.81 0.01 1.69 o
-19 1 3 56.77 50.18 1.68 o
-17 1 3 1.59 1.06 1.20 o
-15 1 3 126.19 120.06 4.13 o
-13 1 3 80.44 82.44 2.97 o
-11 1 3 0.48 0.07 0.80 o
-9 1 3 73.89 64.68 2.16 o
-7 1 3 69.48 69.45 2.64 o
-5 1 3 449.29 436.49 10.68 o
-3 1 3 89.17 88.55 4.01 o
-1 1 3 559.97 542.72 8.50 o
1 1 3 3.72 4.09 0.44 o
3 1 3 22.43 23.05 0.83 o
5 1 3 22.22 21.12 0.81 o
7 1 3 75.34 72.17 2.62 o
9 1 3 36.62 39.73 1.42 o
11 1 3 33.62 34.33 1.26 o
13 1 3 19.02 25.50 3.41 o
-18 2 3 44.44 49.93 3.05 o
-16 2 3 15.96 12.79 1.70 o
-14 2 3 191.08 200.43 7.26 o
-12 2 3 96.95 99.60 5.11 o
-10 2 3 967.86 917.66 14.05 o
-8 2 3 2.87 1.20 1.23 o
-6 2 3 624.11 588.31 11.03 o
-4 2 3 42.32 33.70 1.54 o
-2 2 3 364.90 406.23 9.04 o
0 2 3 235.69 233.03 4.66 o
2 2 3 342.15 331.76 7.53 o
4 2 3 734.64 722.23 11.10 o
6 2 3 26.98 20.54 1.31 o
8 2 3 146.70 146.88 6.14 o
10 2 3 9.88 6.42 1.35 o
12 2 3 37.05 33.89 1.91 o
-17 3 3 2.53 1.98 1.77 o
-15 3 3 70.35 77.97 3.90 o
-13 3 3 52.91 47.11 2.99 o
-11 3 3 0.58 0.86 1.39 o
-9 3 3 32.91 34.46 1.60 o
-7 3 3 37.00 39.16 2.03 o
-5 3 3 262.35 272.85 8.08 o
-3 3 3 13.46 13.63 1.42 o
-1 3 3 257.03 252.04 13.64 o
1 3 3 0.08 0.83 0.79 o
3 3 3 16.86 17.14 1.27 o
5 3 3 11.28 9.90 1.25 o
7 3 3 47.10 44.36 2.09 o
9 3 3 21.36 22.90 1.63 o
11 3 3 13.60 10.61 1.69 o
-14 4 3 76.75 83.03 3.53 o
-12 4 3 38.45 42.26 2.16 o
-10 4 3 358.30 354.28 9.46 o
-8 4 3 2.16 2.00 1.51 o
-6 4 3 234.17 227.84 7.69 o
-4 4 3 21.03 18.11 1.61 o
-2 4 3 154.10 164.17 6.47 o
0 4 3 87.41 84.38 3.14 o
2 4 3 139.42 140.06 5.85 o
4 4 3 256.06 253.65 7.57 o
6 4 3 9.45 6.55 1.51 o
8 4 3 61.52 66.86 3.51 o
-7 5 3 15.71 19.90 1.84 o
-5 5 3 69.12 72.69 3.70 o
-3 5 3 8.09 10.61 1.74 o
-1 5 3 76.31 75.41 3.19 o
1 5 3 0.04 2.85 2.33 o
-18 0 4 39.79 34.76 2.36 o
-16 0 4 73.12 79.15 3.47 o
-14 0 4 0.49 -0.24 1.39 o
-12 0 4 31.51 32.99 1.61 o
-10 0 4 0.02 1.53 1.21 o
-8 0 4 191.15 193.88 6.88 o
-6 0 4 17.24 18.85 1.30 o
-4 0 4 405.00 425.61 9.12 o
-2 0 4 118.36 117.02 5.45 o
0 0 4 105.52 103.58 3.72 o
2 0 4 10.16 10.73 1.18 o
4 0 4 67.70 63.03 3.14 o
6 0 4 57.15 61.10 2.74 o
8 0 4 2.32 0.36 1.30 o
10 0 4 70.04 70.76 3.70 o
-17 1 4 35.15 33.44 1.37 o
-15 1 4 66.60 68.12 2.41 o
-13 1 4 202.41 197.99 5.10 o
-11 1 4 351.98 345.32 6.36 o
-9 1 4 70.55 75.92 3.34 o
-7 1 4 341.67 331.09 6.00 o
-5 1 4 2.37 5.61 1.81 o
-3 1 4 181.93 187.93 4.54 o
-1 1 4 14.68 14.03 0.79 o
1 1 4 340.98 330.37 4.04 o
3 1 4 158.05 158.03 4.35 o
5 1 4 79.41 72.11 2.31 o
7 1 4 34.52 40.34 1.67 o
9 1 4 6.84 5.51 1.59 o
11 1 4 3.04 3.93 1.11 o
-16 2 4 56.33 62.22 3.06 o
-14 2 4 0.12 1.08 1.51 o
-12 2 4 16.13 17.60 1.61 o
-8 2 4 131.61 133.20 5.81 o
-6 2 4 12.90 14.70 1.42 o
-4 2 4 297.95 300.97 8.48 o
-2 2 4 88.51 91.41 4.56 o
0 2 4 70.98 72.74 2.34 o
2 2 4 2.48 3.92 1.21 o
4 2 4 61.42 55.74 2.55 o
6 2 4 42.51 48.29 2.04 o
8 2 4 2.03 2.26 1.38 o
10 2 4 50.84 51.70 2.56 o
-15 3 4 35.17 35.77 2.24 o
-13 3 4 120.15 136.97 6.60 o
-11 3 4 213.88 201.41 7.61 o
-9 3 4 35.95 37.41 1.98 o
-7 3 4 196.93 189.87 7.35 o
-5 3 4 0.98 0.74 1.46 o
-3 3 4 102.38 111.82 4.97 o
-1 3 4 6.41 8.14 0.98 o
1 3 4 204.61 207.07 5.06 o
3 3 4 98.17 102.09 4.71 o
5 3 4 39.59 37.72 1.79 o
7 3 4 21.66 24.56 1.79 o
-10 4 4 0.51 1.74 1.66 o
-8 4 4 58.10 56.72 2.83 o
-6 4 4 4.44 5.98 1.63 o
-4 4 4 114.85 112.79 5.95 o
-2 4 4 36.70 37.75 2.04 o
0 4 4 26.45 24.75 2.18 o
2 4 4 2.58 2.45 1.46 o
-16 0 5 2.43 3.13 1.69 o
-14 0 5 117.93 125.00 6.08 o
-12 0 5 29.66 26.07 1.89 o
-10 0 5 96.84 98.13 4.63 o
-8 0 5 66.89 69.94 3.34 o
-6 0 5 5.13 4.80 1.43 o
-4 0 5 29.89 27.45 1.69 o
-2 0 5 12.17 11.99 1.44 o
0 0 5 115.60 117.22 4.00 o
2 0 5 1.37 4.42 1.35 o
4 0 5 42.49 44.47 2.22 o
6 0 5 0.62 1.96 1.51 o
-15 1 5 26.07 25.40 2.14 o
-13 1 5 15.52 16.84 1.20 o
-11 1 5 25.97 27.28 1.29 o
-9 1 5 83.34 80.64 2.85 o
-7 1 5 36.69 39.59 1.98 o
-5 1 5 270.12 270.10 5.66 o
-3 1 5 0.63 -0.10 1.01 o
-1 1 5 86.10 85.89 2.22 o
1 1 5 0.39 1.18 0.69 o
3 1 5 51.43 46.92 1.74 o
5 1 5 10.59 15.33 1.15 o
-14 2 5 88.07 82.73 3.94 o
-12 2 5 22.74 23.32 1.95 o
-10 2 5 72.58 77.23 3.79 o
-8 2 5 55.19 50.75 2.66 o
-6 2 5 1.64 6.41 1.55 o
-4 2 5 19.48 19.84 1.79 o
-2 2 5 8.86 7.91 1.67 o
0 2 5 88.89 93.44 3.29 o
2 2 5 1.30 0.93 1.46 o
4 2 5 31.03 33.38 1.95 o
-9 3 5 45.92 45.68 2.32 o
-7 3 5 25.39 25.83 2.01 o
-5 3 5 161.27 149.24 7.08 o
-3 3 5 0.51 -0.84 1.81 o
-1 3 5 49.27 49.88 1.64 o
-6 0 6 87.75 87.33 4.38 o
-4 0 6 11.07 8.37 1.82 o