#------------------------------------------------------------------------------
#$Date: 2022-06-11 02:50:27 +0100 (Sat, 11 Jun 2022) $
#$Revision: 275969 $
#$URL: svn://www.crystallography.net/cod/hkl/2/24/41/2244113.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_2244113
_cell_angle_alpha                90.000
_cell_angle_beta                 97.192
_cell_angle_gamma                90.000
_cell_length_a                   16.7231
_cell_length_b                   7.6155
_cell_length_c                   15.8689
_exptl_crystal_F_000             1152.00
_reflns_d_resolution_high        0.8300
_cod_data_source_file            zv2014IIIsup4.hkl
_cod_data_source_block           III
_shelx_title                     ' x1356a_a.res in P2(1)/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            419.44
_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 66592.92 65528.75 2069.65 o
3 0 0 570.52 589.14 20.30 o
4 0 0 125290.99 122909.82 1664.33 o
5 0 0 3638.62 3430.63 77.29 o
6 0 0 84017.67 82535.60 586.99 o
7 0 0 3004.47 2797.53 69.87 o
8 0 0 59528.56 60781.03 490.42 o
9 0 0 55.21 71.95 12.23 o
10 0 0 12034.66 12121.45 185.89 o
11 0 0 20.36 21.38 12.59 o
12 0 0 3226.96 3072.78 151.37 o
13 0 0 1765.42 1759.45 101.36 o
14 0 0 1592.43 1614.86 101.49 o
15 0 0 244.37 206.64 35.50 o
16 0 0 118.42 89.48 27.64 o
17 0 0 573.54 511.13 63.42 o
18 0 0 4.68 12.11 19.79 o
19 0 0 975.38 909.04 133.54 o
1 1 0 40438.69 40712.59 250.35 o
2 1 0 300.71 266.08 11.12 o
3 1 0 51747.24 52147.12 362.25 o
4 1 0 6506.44 6263.86 83.16 o
5 1 0 25011.71 25085.42 290.30 o
6 1 0 8835.11 8797.35 149.81 o
7 1 0 15461.95 15387.65 171.82 o
8 1 0 5641.98 5440.76 109.41 o
9 1 0 17761.07 17957.84 208.22 o
10 1 0 9148.88 9349.77 132.15 o
11 1 0 9064.83 9142.96 136.20 o
12 1 0 2851.67 3037.75 79.28 o
13 1 0 2875.36 2991.55 82.65 o
14 1 0 5920.93 6301.33 145.73 o
15 1 0 2811.32 3021.18 89.72 o
16 1 0 935.47 887.25 57.58 o
17 1 0 1002.91 1063.37 65.35 o
18 1 0 630.11 608.03 63.48 o
19 1 0 350.57 348.99 60.66 o
0 2 0 235.69 205.24 25.93 o
1 2 0 72.77 50.13 9.65 o
2 2 0 13701.49 14712.42 173.35 o
3 2 0 8795.50 8793.64 128.69 o
4 2 0 892.23 852.80 33.63 o
5 2 0 21941.39 22089.03 210.91 o
6 2 0 28.65 50.75 10.41 o
7 2 0 10478.25 9986.15 142.76 o
8 2 0 2857.32 2757.35 77.22 o
9 2 0 6884.19 6823.18 126.60 o
10 2 0 1564.79 1402.08 58.67 o
11 2 0 7978.97 8021.17 155.72 o
12 2 0 3094.86 2994.39 94.14 o
13 2 0 4666.50 4670.30 108.34 o
14 2 0 1000.33 1046.58 51.77 o
15 2 0 954.03 830.03 48.31 o
16 2 0 2385.71 2513.05 87.17 o
17 2 0 748.52 589.25 44.44 o
18 2 0 950.71 944.11 78.11 o
19 2 0 223.84 87.76 52.08 o
1 3 0 105.84 50.52 20.77 o
2 3 0 192.19 153.43 30.80 o
3 3 0 3751.82 3586.77 95.94 o
4 3 0 1446.86 1267.35 67.26 o
5 3 0 322.79 235.67 26.94 o
6 3 0 5842.83 5544.23 110.53 o
7 3 0 833.94 884.93 43.98 o
8 3 0 3548.33 3445.42 91.11 o
9 3 0 110.58 140.93 20.44 o
10 3 0 1803.12 1899.34 71.20 o
11 3 0 0.38 -10.00 10.00 o
12 3 0 2946.26 3050.05 110.05 o
13 3 0 724.45 740.02 49.89 o
14 3 0 539.98 574.36 45.16 o
15 3 0 0.50 0.50 10.58 o
16 3 0 2.42 -11.05 12.56 o
17 3 0 60.33 36.12 17.27 o
18 3 0 6.32 -23.66 23.66 o
0 4 0 1056.41 1146.99 100.61 o
1 4 0 171.91 131.77 48.02 o
2 4 0 195.14 172.92 24.27 o
3 4 0 2433.10 2414.04 88.07 o
4 4 0 988.90 1070.32 58.24 o
5 4 0 5294.32 5285.82 118.47 o
6 4 0 62.14 52.67 16.39 o
7 4 0 4730.04 4605.94 112.61 o
8 4 0 170.35 149.18 21.71 o
9 4 0 5825.96 5654.26 132.38 o
10 4 0 140.73 136.79 33.45 o
11 4 0 2165.96 2108.68 83.49 o
12 4 0 0.49 -4.20 12.05 o
13 4 0 3078.47 2979.27 105.24 o
14 4 0 240.70 227.85 31.30 o
15 4 0 733.69 578.22 60.04 o
16 4 0 80.02 69.47 24.90 o
17 4 0 255.25 175.73 36.11 o
1 5 0 7439.61 7185.85 204.97 o
2 5 0 192.77 161.15 30.63 o
3 5 0 3959.47 3967.94 152.77 o
4 5 0 112.29 93.81 45.18 o
5 5 0 2446.26 2405.06 87.51 o
6 5 0 628.20 607.36 43.29 o
7 5 0 893.06 832.63 52.01 o
8 5 0 1382.95 1461.83 70.32 o
9 5 0 709.53 603.25 55.29 o
10 5 0 619.88 664.40 48.57 o
11 5 0 348.88 335.28 33.97 o
12 5 0 35.88 37.48 19.09 o
13 5 0 425.21 490.37 55.64 o
14 5 0 70.71 67.52 29.32 o
15 5 0 315.69 350.22 68.82 o
16 5 0 0.01 2.22 27.77 o
0 6 0 130.88 175.69 50.44 o
1 6 0 36.44 39.42 44.20 o
2 6 0 462.38 350.92 45.56 o
3 6 0 218.17 219.37 34.31 o
4 6 0 46.92 -3.76 35.84 o
5 6 0 24.86 2.04 27.27 o
6 6 0 97.77 36.16 15.48 o
7 6 0 151.42 104.96 18.20 o
8 6 0 29.80 -9.05 13.06 o
9 6 0 363.96 338.98 37.78 o
10 6 0 0.26 -6.53 21.07 o
11 6 0 229.17 195.43 36.08 o
12 6 0 61.80 44.99 21.15 o
13 6 0 91.98 57.47 24.12 o
14 6 0 40.06 51.45 28.04 o
15 6 0 43.09 -7.71 21.66 o
1 7 0 2392.35 2614.23 155.15 o
2 7 0 143.80 126.13 35.92 o
3 7 0 2503.18 2741.69 150.13 o
4 7 0 141.62 199.63 44.82 o
5 7 0 1441.51 1609.54 98.17 o
6 7 0 328.63 325.67 44.61 o
7 7 0 665.85 598.71 58.50 o
8 7 0 464.13 436.74 70.46 o
9 7 0 115.46 97.13 29.49 o
10 7 0 274.22 287.91 47.50 o
11 7 0 12.43 -9.89 39.96 o
12 7 0 134.77 95.39 31.95 o
0 8 0 258.31 423.07 92.77 o
1 8 0 0.39 -4.98 23.33 o
2 8 0 96.21 116.04 37.81 o
3 8 0 24.39 -8.17 21.79 o
4 8 0 184.96 142.54 29.16 o
5 8 0 68.60 39.94 22.43 o
6 8 0 251.01 160.99 46.96 o
7 8 0 12.01 -2.12 43.10 o
8 8 0 94.84 92.69 54.42 o
9 8 0 2.16 58.40 30.81 o
1 9 0 139.29 145.31 43.25 o
2 9 0 15.35 16.17 20.83 o
3 9 0 157.73 121.32 42.36 o
-19 1 1 197.90 132.10 35.20 o
-18 1 1 0.84 -2.16 14.36 o
-17 1 1 741.78 694.09 53.07 o
-16 1 1 3.00 9.80 13.40 o
-15 1 1 2517.40 2619.41 82.69 o
-14 1 1 246.27 237.43 24.01 o
-13 1 1 9227.18 9544.91 150.42 o
-12 1 1 3424.94 3457.46 84.06 o
-11 1 1 15185.68 14817.66 209.80 o
-10 1 1 7004.51 7269.38 132.46 o
-9 1 1 20542.22 20295.40 226.01 o
-8 1 1 17412.03 17448.77 195.87 o
-7 1 1 21002.69 19634.62 199.86 o
-6 1 1 29043.17 29808.82 249.59 o
-5 1 1 17886.22 16701.69 160.45 o
-4 1 1 55311.10 55034.95 358.18 o
-3 1 1 12052.87 11764.34 91.50 o
-2 1 1 54878.22 55398.57 407.10 o
-1 1 1 12208.67 12141.52 129.72 o
0 1 1 343.55 386.64 22.87 o
1 1 1 1158.74 1275.56 34.33 o
2 1 1 18250.34 18779.49 170.46 o
3 1 1 49.15 114.59 21.53 o
4 1 1 7661.32 8028.11 95.29 o
5 1 1 262.83 234.51 16.48 o
6 1 1 10.08 21.60 4.26 o
7 1 1 420.87 364.25 22.98 o
8 1 1 9908.76 9471.91 120.95 o
9 1 1 2103.16 2212.41 73.24 o
10 1 1 6252.44 5911.22 103.30 o
11 1 1 77.28 66.68 11.03 o
12 1 1 6092.17 6241.60 116.27 o
13 1 1 2.06 -0.07 10.83 o
14 1 1 8537.35 8929.04 152.95 o
15 1 1 45.97 33.17 14.12 o
16 1 1 2540.19 2707.75 100.58 o
17 1 1 370.69 328.04 44.01 o
18 1 1 1601.41 1674.73 129.55 o
19 1 1 119.67 137.20 41.81 o
-19 2 1 576.15 534.97 76.47 o
-18 2 1 21.53 13.42 16.13 o
-17 2 1 632.84 673.14 53.50 o
-16 2 1 87.64 99.85 18.74 o
-15 2 1 1192.71 1223.55 58.05 o
-14 2 1 1324.61 1207.17 56.35 o
-13 2 1 2679.43 2872.35 96.05 o
-12 2 1 430.14 394.80 35.35 o
-11 2 1 2601.98 2568.30 83.57 o
-10 2 1 1516.06 1404.11 89.10 o
-9 2 1 906.85 865.77 42.82 o
-8 2 1 4503.53 4363.11 111.68 o
-7 2 1 667.92 658.03 33.83 o
-6 2 1 12016.42 12055.09 149.50 o
-5 2 1 1.27 12.75 6.78 o
-4 2 1 16161.47 15899.38 162.13 o
-3 2 1 2113.53 2199.86 51.36 o
-2 2 1 18228.73 18352.97 171.43 o
-1 2 1 25238.75 24895.95 240.96 o
0 2 1 79636.36 79208.20 688.79 o
1 2 1 2246.53 2119.48 71.56 o
2 2 1 50252.23 48692.20 500.21 o
3 2 1 3096.08 2947.65 72.69 o
4 2 1 46008.44 44454.16 332.52 o
5 2 1 3033.87 3007.93 68.48 o
6 2 1 25920.62 25498.47 240.52 o
7 2 1 1303.28 1161.72 56.27 o
8 2 1 17270.71 17478.26 231.77 o
9 2 1 4326.67 4297.53 98.79 o
10 2 1 11083.80 11421.36 174.10 o
11 2 1 1396.14 1275.99 52.44 o
12 2 1 2052.00 2114.17 69.92 o
13 2 1 2119.23 2013.21 70.30 o
14 2 1 555.85 555.30 37.93 o
15 2 1 321.83 223.86 30.51 o
16 2 1 623.25 591.71 41.79 o
17 2 1 697.15 603.60 50.79 o
18 2 1 40.15 27.66 30.44 o
19 2 1 377.46 353.22 69.58 o
-18 3 1 447.57 411.84 67.64 o
-17 3 1 29.72 2.99 14.16 o
-16 3 1 516.26 478.96 38.81 o
-15 3 1 161.80 135.77 22.67 o
-14 3 1 510.47 478.47 41.73 o
-13 3 1 45.16 12.38 13.81 o
-12 3 1 588.42 558.48 41.82 o
-11 3 1 30.07 16.37 8.17 o
-10 3 1 95.34 77.29 10.91 o
-9 3 1 11.11 19.76 16.14 o
-8 3 1 3261.45 3317.65 121.91 o
-7 3 1 167.76 138.13 16.94 o
-6 3 1 3433.90 3471.54 92.29 o
-5 3 1 10440.54 10946.12 151.48 o
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-3 3 1 14388.68 14759.75 176.02 o
-2 3 1 7684.45 7632.07 154.06 o
-1 3 1 17617.07 17768.81 226.13 o
0 3 1 20988.90 21532.50 255.84 o
1 3 1 44095.88 45421.62 504.37 o
2 3 1 20644.23 21354.85 341.65 o
3 3 1 31516.95 31289.89 330.82 o
4 3 1 3883.09 3869.25 100.00 o
5 3 1 27426.95 27470.30 270.42 o
6 3 1 3175.91 3198.87 82.67 o
7 3 1 26196.70 26208.49 274.44 o
8 3 1 5091.45 5226.26 114.31 o
9 3 1 16939.82 17418.06 266.97 o
10 3 1 1223.23 1097.21 55.53 o
11 3 1 5984.94 5899.23 134.96 o
12 3 1 13.21 26.26 11.55 o
13 3 1 965.63 885.85 54.48 o
14 3 1 100.60 74.21 21.13 o
15 3 1 923.71 859.25 51.18 o
16 3 1 141.47 111.16 20.71 o
17 3 1 28.17 9.32 15.94 o
18 3 1 51.02 16.41 25.77 o
-18 4 1 255.18 271.83 59.22 o
-17 4 1 228.45 294.43 48.32 o
-16 4 1 540.60 617.43 66.86 o
-15 4 1 180.78 204.31 38.99 o
-14 4 1 1142.45 1323.53 89.14 o
-13 4 1 27.02 13.21 16.02 o
-12 4 1 1605.74 1578.15 72.85 o
-11 4 1 153.36 121.39 16.98 o
-10 4 1 3380.11 3509.04 103.05 o
-9 4 1 195.38 155.62 20.85 o
-8 4 1 3641.09 3770.17 101.72 o
-7 4 1 89.98 106.47 23.44 o
-6 4 1 4447.24 4413.21 108.02 o
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-1 4 1 621.33 512.75 42.92 o
0 4 1 767.57 770.23 59.16 o
1 4 1 1294.34 1110.66 96.94 o
2 4 1 339.88 211.54 35.69 o
3 4 1 97.75 102.26 73.17 o
4 4 1 2902.42 2812.89 98.00 o
5 4 1 811.48 781.24 51.46 o
6 4 1 1207.47 1224.11 55.92 o
7 4 1 2590.84 2708.74 103.53 o
8 4 1 497.07 470.41 36.46 o
9 4 1 2426.50 2493.75 87.35 o
10 4 1 209.27 192.32 25.85 o
11 4 1 3142.64 3381.31 106.85 o
12 4 1 104.15 134.11 25.92 o
13 4 1 1039.90 1126.31 64.24 o
14 4 1 13.96 -4.13 14.02 o
15 4 1 1223.28 1296.35 73.87 o
16 4 1 0.21 -9.58 23.85 o
17 4 1 675.25 640.04 66.79 o
-16 5 1 133.57 151.33 38.43 o
-15 5 1 462.58 402.32 78.63 o
-14 5 1 236.83 222.35 43.61 o
-13 5 1 430.07 360.06 50.42 o
-12 5 1 160.38 178.99 28.96 o
-11 5 1 1564.12 1635.44 98.96 o
-10 5 1 307.05 300.27 39.02 o
-9 5 1 80.24 42.93 35.80 o
-8 5 1 9.20 -7.10 11.23 o
-7 5 1 421.11 374.00 32.96 o
-6 5 1 39.51 40.61 19.07 o
-5 5 1 15.81 5.20 12.27 o
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-3 5 1 82.34 70.75 16.29 o
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-1 5 1 1241.84 1255.46 83.27 o
0 5 1 214.73 250.42 30.41 o
1 5 1 2888.67 2967.57 138.63 o
2 5 1 27.09 -14.71 32.87 o
3 5 1 2136.24 2317.78 130.00 o
4 5 1 9.26 13.32 12.87 o
5 5 1 3034.44 3089.37 115.58 o
6 5 1 71.25 47.01 14.85 o
7 5 1 2883.54 3093.76 103.53 o
8 5 1 287.83 252.35 29.99 o
9 5 1 1675.23 1656.10 78.85 o
10 5 1 420.48 395.24 38.62 o
11 5 1 810.04 771.87 55.02 o
12 5 1 225.19 189.71 28.32 o
13 5 1 528.40 389.67 39.81 o
14 5 1 302.93 153.76 40.25 o
15 5 1 127.84 115.03 40.58 o
16 5 1 153.25 123.35 36.69 o
-15 6 1 34.30 25.63 27.07 o
-14 6 1 53.03 54.77 18.64 o
-13 6 1 516.23 378.57 51.77 o
-12 6 1 364.94 328.15 54.95 o
-11 6 1 679.22 595.69 65.70 o
-10 6 1 440.50 449.77 54.69 o
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1 6 1 3535.84 3663.87 340.80 o
2 6 1 292.53 234.65 37.05 o
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5 6 1 52.58 43.41 16.29 o
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11 6 1 91.83 99.99 24.49 o
12 6 1 71.10 65.28 21.53 o
13 6 1 207.34 198.82 47.23 o
14 6 1 1.90 -27.43 27.43 o
-13 7 1 13.30 -1.65 20.85 o
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-11 7 1 38.53 8.12 24.44 o
-10 7 1 322.13 268.35 50.07 o
-9 7 1 5.41 -26.98 26.98 o
-8 7 1 498.05 459.64 56.84 o
-7 7 1 3.45 55.40 22.94 o
-6 7 1 632.60 608.64 64.05 o
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-3 7 1 3.30 41.31 69.10 o
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0 7 1 540.56 567.81 63.43 o
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-20 0 2 259.87 222.70 68.72 o
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-10 0 2 134.17 132.17 21.01 o
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-6 0 2 1085.50 1233.27 239.84 o
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-3 0 2 15524.54 16277.25 212.37 o
-2 0 2 3903.32 3871.46 60.60 o
-1 0 2 28737.10 29370.78 432.16 o
0 0 2 1138.68 1013.39 40.67 o
1 0 2 65221.25 64994.50 765.87 o
2 0 2 15421.40 15966.87 276.06 o
3 0 2 82876.40 82054.44 994.38 o
4 0 2 49467.39 47302.58 418.24 o
5 0 2 64954.79 63300.93 1190.17 o
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9 0 2 24762.05 25809.66 351.26 o
10 0 2 19997.13 19763.37 315.24 o
11 0 2 13225.28 13515.66 263.94 o
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14 0 2 3234.05 3398.16 237.07 o
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17 0 2 1338.56 1203.71 150.43 o
18 0 2 134.50 170.38 69.65 o
19 0 2 295.06 180.69 65.28 o
-20 1 2 40.22 51.68 25.11 o
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-15 1 2 73.07 35.67 13.96 o
-14 1 2 590.61 555.61 35.59 o
-13 1 2 3584.52 3681.06 89.76 o
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2 0 16 226.75 350.30 81.52 o
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1 2 16 311.24 323.27 47.96 o
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1 3 16 484.51 299.43 45.62 o
2 3 16 242.30 185.86 44.57 o
3 3 16 205.22 116.71 39.12 o
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5 3 16 346.53 300.29 66.22 o
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1 4 16 7.47 -5.78 19.78 o
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1 1 17 564.04 558.13 81.37 o
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1 2 17 158.07 187.09 38.65 o
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1 3 17 102.18 87.94 24.81 o
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1 0 18 22.36 25.77 39.67 o
2 0 18 403.90 354.21 89.65 o
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1 1 18 553.21 641.44 91.98 o
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1 2 18 24.16 -19.41 41.38 o
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