#------------------------------------------------------------------------------
#$Date: 2023-12-20 05:03:28 +0200 (Wed, 20 Dec 2023) $
#$Revision: 288434 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/29/2022969.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_2022969
_cell_angle_alpha                90.000
_cell_angle_beta                 92.389
_cell_angle_gamma                90.000
_cell_length_a                   8.2215
_cell_length_b                   11.3519
_cell_length_c                   15.2400
_exptl_crystal_F_000             912.00
_reflns_d_resolution_high        0.6953
_cod_data_source_file            yz20446asup6.hkl
_cod_data_source_block           6a
_shelx_title                     ' Rudi in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            436.83
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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 27720.19 28249.47 163.61 o
4 0 0 52798.66 51017.41 522.07 o
6 0 0 40551.09 40859.72 332.81 o
8 0 0 1001.97 1084.36 83.24 o
10 0 0 11643.22 12393.72 357.55 o
1 1 0 90825.38 93054.54 400.63 o
2 1 0 228.40 319.40 9.84 o
3 1 0 23736.73 24135.57 126.22 o
4 1 0 572.58 559.55 16.59 o
5 1 0 75347.24 74483.20 400.40 o
6 1 0 756.02 806.99 30.24 o
7 1 0 11234.33 11549.56 135.69 o
8 1 0 315.35 382.47 39.10 o
9 1 0 4461.52 4581.21 123.52 o
10 1 0 0.35 41.30 32.42 o
11 1 0 3298.93 3735.72 153.08 o
0 2 0 94140.17 96737.35 502.53 o
1 2 0 2252.86 2371.42 28.88 o
2 2 0 14276.04 14290.60 95.18 o
3 2 0 152.41 179.74 10.43 o
4 2 0 45550.01 45341.41 273.08 o
5 2 0 0.48 28.65 6.23 o
6 2 0 39008.52 38668.87 265.00 o
7 2 0 588.82 625.14 34.70 o
8 2 0 3913.42 4036.64 97.92 o
9 2 0 121.82 110.22 31.74 o
10 2 0 6136.81 6398.64 170.48 o
11 2 0 121.87 137.78 63.51 o
1 3 0 177600.03 178774.28 808.78 o
2 3 0 2173.98 2378.61 41.00 o
3 3 0 3729.35 3547.30 62.32 o
4 3 0 1211.23 1251.17 31.58 o
5 3 0 76103.62 74243.12 447.47 o
6 3 0 756.08 680.70 32.80 o
7 3 0 3914.40 4084.83 99.63 o
8 3 0 179.98 164.74 25.64 o
9 3 0 7039.04 7687.99 184.50 o
10 3 0 32.10 -1.51 42.88 o
11 3 0 3940.54 4211.26 240.09 o
0 4 0 170041.45 173260.50 1285.65 o
1 4 0 1898.79 1952.46 43.77 o
2 4 0 26381.29 26447.05 196.23 o
3 4 0 69.46 78.43 12.67 o
4 4 0 48854.89 48005.75 327.97 o
5 4 0 988.43 878.40 25.66 o
6 4 0 37598.30 37616.18 327.93 o
7 4 0 21.44 2.44 20.29 o
8 4 0 2516.90 2590.92 84.51 o
9 4 0 242.21 199.45 43.91 o
10 4 0 6228.44 6224.14 213.65 o
11 4 0 351.68 220.26 91.39 o
1 5 0 61467.36 60480.23 404.56 o
2 5 0 1571.81 1619.56 45.68 o
3 5 0 20674.35 20908.92 188.53 o
4 5 0 2311.77 2375.12 49.72 o
5 5 0 52694.39 52121.18 353.09 o
6 5 0 535.93 531.08 31.84 o
7 5 0 9809.27 9562.20 169.93 o
8 5 0 0.07 -4.28 26.54 o
9 5 0 4451.20 4537.31 175.38 o
10 5 0 2.54 48.95 46.00 o
11 5 0 2607.28 2917.51 299.84 o
0 6 0 158748.78 158994.03 1672.73 o
1 6 0 5432.18 5255.65 85.34 o
2 6 0 14866.48 14473.67 174.47 o
3 6 0 41.26 42.69 15.02 o
4 6 0 28979.12 27464.89 240.99 o
5 6 0 1.77 33.46 11.32 o
6 6 0 26318.27 25865.03 317.47 o
7 6 0 1134.91 1149.16 65.22 o
8 6 0 1320.19 1344.00 76.97 o
9 6 0 581.68 434.40 72.87 o
10 6 0 7233.49 7616.60 286.25 o
1 7 0 65383.34 66278.93 552.67 o
2 7 0 59.44 72.60 19.29 o
3 7 0 8726.19 8460.40 140.97 o
4 7 0 42.01 43.02 18.66 o
5 7 0 54059.47 52546.95 406.15 o
6 7 0 47.71 66.37 25.38 o
7 7 0 3860.26 3894.78 127.35 o
8 7 0 731.80 604.43 56.16 o
9 7 0 5010.45 4781.84 179.65 o
10 7 0 60.41 17.53 139.46 o
0 8 0 50369.90 50369.62 550.66 o
1 8 0 2162.65 2190.01 64.04 o
2 8 0 19717.32 19397.37 224.20 o
3 8 0 555.07 497.21 34.21 o
4 8 0 27095.58 27039.30 315.52 o
5 8 0 786.20 814.87 45.67 o
6 8 0 21534.98 21007.18 291.84 o
7 8 0 336.22 364.32 52.27 o
8 8 0 4649.93 4607.89 164.26 o
9 8 0 67.02 12.25 46.98 o
10 8 0 4091.72 3973.59 512.76 o
1 9 0 44486.89 44735.87 507.34 o
2 9 0 2570.53 2778.36 88.27 o
3 9 0 6274.20 5985.54 127.40 o
4 9 0 2748.45 2882.08 88.51 o
5 9 0 35806.03 34261.29 369.05 o
6 9 0 1084.43 935.52 71.05 o
7 9 0 3109.03 2856.92 136.42 o
8 9 0 112.25 139.18 54.70 o
9 9 0 4268.93 4201.09 289.60 o
0 10 0 77405.54 79927.44 873.39 o
1 10 0 649.12 687.04 49.70 o
2 10 0 9324.72 9408.92 183.94 o
3 10 0 32.99 6.52 25.65 o
4 10 0 22433.73 21909.71 275.35 o
5 10 0 91.78 46.50 31.37 o
6 10 0 14777.74 13983.01 311.52 o
7 10 0 571.09 529.40 103.43 o
8 10 0 819.10 832.17 82.69 o
9 10 0 3.42 -78.92 82.95 o
1 11 0 25059.26 25957.17 353.33 o
2 11 0 887.08 908.94 60.82 o
3 11 0 13412.54 13783.68 234.14 o
4 11 0 878.63 829.72 80.03 o
5 11 0 19796.37 19429.88 351.04 o
6 11 0 11.55 2.41 47.53 o
7 11 0 5960.17 5768.56 213.67 o
8 11 0 277.44 326.46 74.04 o
0 12 0 35560.95 37019.15 734.90 o
1 12 0 4222.95 4898.57 157.35 o
2 12 0 6453.33 6597.92 195.87 o
3 12 0 692.93 662.44 56.56 o
4 12 0 15936.19 16573.49 309.14 o
5 12 0 106.97 99.31 45.77 o
6 12 0 11007.64 10550.58 294.54 o
7 12 0 1030.02 961.86 126.55 o
1 13 0 22458.11 24106.70 407.24 o
2 13 0 482.74 474.99 60.09 o
3 13 0 4004.68 4058.05 167.34 o
4 13 0 529.45 486.79 60.69 o
5 13 0 17703.46 17430.92 388.68 o
6 13 0 273.09 111.98 82.37 o
0 14 0 20585.70 21925.37 693.28 o
1 14 0 523.64 681.41 72.73 o
2 14 0 8317.35 8894.90 251.68 o
3 14 0 8.77 65.80 47.51 o
4 14 0 11483.03 11764.68 355.20 o
1 15 0 12225.59 13301.22 341.65 o
2 15 0 1163.83 1101.49 123.37 o
3 15 0 6662.22 7796.18 567.32 o
0 16 0 21097.57 22439.24 1246.50 o
1 16 0 659.70 894.35 279.95 o
-11 0 1 9384.80 10276.82 352.71 o
-9 0 1 913.94 829.89 89.51 o
-7 0 1 7752.91 7640.20 161.81 o
-5 0 1 973.11 963.51 33.05 o
-3 0 1 310.39 434.96 17.66 o
-1 0 1 1121.06 1384.23 24.48 o
1 0 1 24731.12 24979.64 144.96 o
3 0 1 8228.66 8572.92 90.47 o
5 0 1 51117.20 50101.96 488.82 o
7 0 1 15886.63 16157.34 206.11 o
9 0 1 13070.49 13404.45 325.89 o
11 0 1 15045.87 15547.83 704.82 o
-11 1 1 95.45 0.45 53.86 o
-10 1 1 1857.88 1912.50 86.63 o
-9 1 1 742.14 694.92 50.51 o
-8 1 1 6530.21 6408.54 131.05 o
-7 1 1 306.50 288.64 22.90 o
-6 1 1 6836.83 6803.70 85.94 o
-5 1 1 10.23 20.23 7.94 o
-4 1 1 33.61 110.73 9.74 o
-3 1 1 71.98 154.77 7.70 o
-2 1 1 847.74 956.58 18.19 o
-1 1 1 6026.74 6224.86 46.89 o
0 1 1 27713.41 27683.29 241.75 o
1 1 1 8330.45 8478.47 55.56 o
2 1 1 1013.16 1119.67 19.06 o
3 1 1 2103.46 2104.07 32.94 o
4 1 1 27617.82 26750.76 160.24 o
5 1 1 5.05 27.80 9.90 o
6 1 1 29319.48 28858.91 229.27 o
7 1 1 17.03 25.46 19.62 o
8 1 1 3595.24 3691.14 96.65 o
9 1 1 407.94 380.04 37.91 o
10 1 1 23757.25 25253.90 373.56 o
11 1 1 23.20 78.27 51.28 o
-11 2 1 7479.21 8158.24 295.30 o
-10 2 1 106.73 102.64 31.36 o
-9 2 1 1474.83 1484.73 74.64 o
-8 2 1 75.34 68.43 23.57 o
-7 2 1 18841.55 18711.91 207.23 o
-6 2 1 733.45 749.43 24.69 o
-5 2 1 262.54 371.04 16.14 o
-4 2 1 391.24 409.00 16.24 o
-3 2 1 1389.26 1419.30 27.58 o
-2 2 1 1415.26 1563.15 26.98 o
-1 2 1 10299.29 10721.53 73.15 o
0 2 1 670.62 759.55 14.99 o
1 2 1 16534.32 16702.69 96.52 o
2 2 1 2340.06 2485.44 34.21 o
3 2 1 110.98 141.00 12.19 o
4 2 1 176.09 182.29 13.31 o
5 2 1 54992.30 54372.07 359.77 o
6 2 1 411.33 443.85 26.74 o
7 2 1 2816.54 2951.78 71.78 o
8 2 1 18.30 6.41 21.95 o
9 2 1 13512.72 14110.56 236.12 o
10 2 1 178.44 238.82 47.51 o
11 2 1 13900.41 14637.94 597.04 o
-11 3 1 33.50 -38.28 65.69 o
-10 3 1 5214.00 5178.49 174.07 o
-9 3 1 188.77 186.67 38.04 o
-8 3 1 2034.92 1935.06 73.32 o
-7 3 1 9.06 -9.34 19.49 o
-6 3 1 7673.07 7385.40 92.25 o
-5 3 1 637.34 627.46 23.60 o
-4 3 1 218.25 343.63 19.73 o
-3 3 1 14.47 61.29 8.68 o
-2 3 1 588.35 683.70 22.70 o
-1 3 1 154.45 328.53 18.13 o
0 3 1 12346.49 12549.11 83.01 o
1 3 1 7.97 36.23 5.96 o
2 3 1 15719.21 16287.63 107.09 o
3 3 1 904.81 1010.12 31.11 o
4 3 1 21967.52 21636.45 217.67 o
5 3 1 96.06 113.24 16.71 o
6 3 1 35026.50 34723.71 302.96 o
7 3 1 195.94 139.71 20.34 o
8 3 1 6038.47 6427.21 134.57 o
9 3 1 19.80 -30.57 40.37 o
10 3 1 16818.86 17660.72 352.24 o
11 3 1 32.99 96.17 81.61 o
-11 4 1 6071.64 6106.42 289.26 o
-10 4 1 8.35 30.55 43.45 o
-9 4 1 797.11 766.45 61.22 o
-8 4 1 9.57 49.31 23.74 o
-7 4 1 9323.92 9075.29 163.26 o
-6 4 1 1162.02 1108.84 38.84 o
-5 4 1 107.52 154.54 17.92 o
-4 4 1 68.25 59.57 13.42 o
-3 4 1 885.87 968.52 31.61 o
-2 4 1 6765.99 7129.09 98.16 o
-1 4 1 3012.03 3181.90 63.62 o
0 4 1 503.06 536.29 22.62 o
1 4 1 21605.78 21475.57 146.82 o
2 4 1 910.92 1070.56 26.18 o
3 4 1 4433.45 4560.02 58.76 o
4 4 1 371.46 401.47 20.68 o
5 4 1 47040.73 45128.53 340.64 o
6 4 1 1117.88 1105.11 47.88 o
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8 4 1 583.50 596.63 41.96 o
9 4 1 12821.66 13251.50 297.17 o
10 4 1 15.41 79.36 54.30 o
11 4 1 13897.21 14460.69 709.91 o
-11 5 1 63.46 10.63 81.49 o
-10 5 1 970.05 901.56 79.30 o
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-3 5 1 16.59 48.71 16.33 o
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0 5 1 25083.59 25251.62 210.07 o
1 5 1 69.75 85.38 11.85 o
2 5 1 814.82 990.18 31.54 o
3 5 1 144.61 169.42 13.02 o
4 5 1 19872.70 19090.96 158.50 o
5 5 1 85.80 109.11 13.91 o
6 5 1 22396.25 22946.75 245.94 o
7 5 1 6.32 10.81 22.32 o
8 5 1 2265.02 2350.63 95.80 o
9 5 1 711.51 602.21 61.92 o
10 5 1 23382.57 24424.96 454.33 o
11 5 1 2.25 180.88 139.79 o
-10 6 1 212.82 122.83 49.69 o
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-8 6 1 2.77 -29.58 29.58 o
-7 6 1 6613.46 6854.11 160.71 o
-6 6 1 34.05 98.94 27.79 o
-5 6 1 1319.20 1358.23 44.39 o
-4 6 1 747.65 722.41 36.85 o
-3 6 1 349.30 416.13 32.12 o
-2 6 1 1031.53 1039.20 43.74 o
-1 6 1 27.28 184.53 24.35 o
0 6 1 42.71 53.23 14.71 o
1 6 1 12205.32 12584.21 145.85 o
2 6 1 2021.62 2230.42 55.26 o
3 6 1 4179.53 4275.41 77.48 o
4 6 1 1529.76 1523.75 39.64 o
5 6 1 26324.17 25155.69 269.15 o
6 6 1 84.47 73.20 19.76 o
7 6 1 9076.04 8841.40 198.90 o
8 6 1 5.01 -34.75 34.75 o
9 6 1 8196.78 8030.50 226.26 o
10 6 1 194.96 161.73 58.60 o
-10 7 1 2219.10 2045.50 365.22 o
-9 7 1 206.34 212.13 47.67 o
-8 7 1 2377.61 2523.97 116.35 o
-7 7 1 199.15 241.48 44.04 o
-6 7 1 4626.73 4600.96 129.17 o
-5 7 1 8.18 27.65 19.15 o
-4 7 1 382.97 347.10 28.91 o
-3 7 1 129.14 141.75 21.75 o
-2 7 1 1871.13 2010.41 66.19 o
-1 7 1 2645.50 2662.80 67.03 o
0 7 1 16159.63 16372.16 197.12 o
1 7 1 1593.70 1594.21 46.91 o
2 7 1 4381.05 4486.79 97.06 o
3 7 1 1690.97 1646.94 52.47 o
4 7 1 14714.84 14694.52 178.98 o
5 7 1 20.72 26.64 18.57 o
6 7 1 24962.64 24581.51 286.93 o
7 7 1 56.04 71.92 36.87 o
8 7 1 4348.93 4214.55 149.13 o
9 7 1 1193.28 1166.18 84.32 o
10 7 1 14609.04 15468.06 793.02 o
-10 8 1 555.57 721.98 219.01 o
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-8 8 1 43.62 14.10 38.47 o
-7 8 1 10976.21 11095.75 240.27 o
-6 8 1 518.75 451.86 45.91 o
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-4 8 1 99.02 137.57 25.20 o
-3 8 1 632.88 779.75 45.64 o
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-1 8 1 4769.17 4904.99 99.42 o
0 8 1 124.84 134.74 23.32 o
1 8 1 9004.95 9150.08 134.75 o
2 8 1 72.69 43.66 20.73 o
3 8 1 573.99 527.53 39.10 o
4 8 1 742.76 742.60 42.86 o
5 8 1 33076.02 32932.95 329.23 o
6 8 1 157.66 128.83 30.53 o
7 8 1 3211.41 3259.36 131.78 o
8 8 1 671.42 599.75 64.85 o
9 8 1 10357.37 10245.70 244.33 o
-9 9 1 721.90 551.06 226.62 o
-8 9 1 2865.80 3006.61 144.73 o
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-5 9 1 987.49 1098.79 60.11 o
-4 9 1 53.43 84.05 25.26 o
-3 9 1 293.59 248.71 37.24 o
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2 9 1 3164.27 3093.76 97.44 o
3 9 1 561.33 568.84 39.26 o
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5 9 1 593.68 544.74 43.95 o
6 9 1 14558.26 14532.84 304.16 o
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0 10 1 86.81 140.23 25.63 o
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2 10 1 14.46 2.14 29.14 o
3 10 1 1429.52 1519.17 74.82 o
4 10 1 2383.16 2301.63 88.57 o
5 10 1 17203.57 17621.56 279.25 o
6 10 1 1157.58 1042.96 83.66 o
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8 10 1 692.63 778.10 82.24 o
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-8 11 1 4652.28 4783.42 277.81 o
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-3 11 1 74.29 31.29 29.55 o
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0 11 1 10345.00 11017.56 228.02 o
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0 14 1 88.06 76.72 50.08 o
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2 14 1 59.74 9.03 48.32 o
3 14 1 240.29 192.03 54.70 o
4 14 1 922.36 891.27 86.11 o
-3 15 1 14.17 -9.99 93.00 o
-2 15 1 487.71 473.54 90.05 o
-1 15 1 158.72 202.54 58.15 o
0 15 1 3823.88 4101.42 196.85 o
1 15 1 78.68 50.24 50.69 o
2 15 1 1093.21 1039.40 119.29 o
3 15 1 270.13 229.04 97.22 o
-1 16 1 13.67 102.66 148.30 o
0 16 1 218.11 186.01 118.04 o
-10 0 2 2661.45 3001.87 156.91 o
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-6 0 2 40853.78 39857.19 360.05 o
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-2 0 2 190817.92 194519.38 1146.26 o
0 0 2 26947.62 28307.96 449.96 o
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4 0 2 28132.01 28546.24 260.86 o
6 0 2 2321.28 2244.08 57.98 o
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10 0 2 198.74 188.42 68.35 o
-11 1 2 9838.75 10386.18 329.53 o
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