#------------------------------------------------------------------------------
#$Date: 2023-12-20 05:03:28 +0200 (Wed, 20 Dec 2023) $
#$Revision: 288434 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/29/2022965.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_2022965
_cell_angle_alpha                90.000
_cell_angle_beta                 97.004
_cell_angle_gamma                90.000
_cell_length_a                   8.0589
_cell_length_b                   11.1342
_cell_length_c                   15.0596
_exptl_crystal_F_000             808.00
_reflns_d_resolution_high        0.6923
_cod_data_source_file            yz20441asup2.hkl
_cod_data_source_block           1a
_shelx_title                     ' gelb in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            365.74
_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 39547.96 39321.52 178.76 o
4 0 0 70496.02 67979.47 369.27 o
6 0 0 35448.38 35429.02 254.88 o
8 0 0 8940.54 9185.58 150.30 o
10 0 0 18544.89 19019.75 290.70 o
1 1 0 82610.90 84335.77 349.08 o
2 1 0 867.17 966.15 9.03 o
3 1 0 43860.44 43509.69 167.22 o
4 1 0 499.75 493.98 10.83 o
5 1 0 65095.95 63738.05 261.06 o
6 1 0 538.02 539.58 18.28 o
7 1 0 17670.29 17659.81 143.36 o
8 1 0 505.43 513.47 24.08 o
9 1 0 14141.05 14352.17 147.01 o
10 1 0 50.81 32.29 18.15 o
11 1 0 9466.40 9774.50 212.91 o
0 2 0 57579.85 60408.81 391.12 o
1 2 0 4546.73 4737.49 24.80 o
2 2 0 37193.41 37397.32 130.79 o
3 2 0 1756.40 1819.31 19.74 o
4 2 0 51567.82 51259.34 241.01 o
5 2 0 117.85 137.00 8.02 o
6 2 0 44225.05 43342.09 222.05 o
7 2 0 40.82 41.05 9.97 o
8 2 0 10916.11 11008.80 118.26 o
9 2 0 181.83 150.97 21.36 o
10 2 0 11882.25 12173.15 159.47 o
11 2 0 145.12 137.91 30.37 o
1 3 0 125120.39 127404.55 646.40 o
2 3 0 6003.91 6406.15 44.64 o
3 3 0 19202.18 18674.73 100.40 o
4 3 0 1658.44 1644.65 22.62 o
5 3 0 65689.68 64689.69 274.60 o
6 3 0 1369.67 1351.32 26.34 o
7 3 0 8543.36 8636.22 95.86 o
8 3 0 150.91 111.92 13.36 o
9 3 0 17687.35 17962.16 171.81 o
10 3 0 20.16 9.62 15.66 o
11 3 0 7773.80 7828.01 240.25 o
0 4 0 133766.44 136731.14 899.11 o
1 4 0 1638.54 1781.77 22.89 o
2 4 0 35257.60 34673.86 181.14 o
3 4 0 13.13 56.65 8.89 o
4 4 0 47290.88 46726.69 217.77 o
5 4 0 405.56 398.77 12.85 o
6 4 0 31406.00 31086.55 198.64 o
7 4 0 12.33 2.57 11.06 o
8 4 0 10127.37 10429.83 119.01 o
9 4 0 189.70 179.75 20.92 o
10 4 0 15383.97 15774.45 201.41 o
11 4 0 13.22 -4.23 60.53 o
1 5 0 50484.36 49300.18 331.17 o
2 5 0 514.99 561.56 15.86 o
3 5 0 41565.66 41280.96 206.28 o
4 5 0 3860.45 3781.30 38.08 o
5 5 0 42025.88 41359.16 219.49 o
6 5 0 460.94 523.03 22.72 o
7 5 0 21070.58 21157.45 184.38 o
8 5 0 256.72 243.94 19.89 o
9 5 0 7823.67 7760.88 131.24 o
10 5 0 15.78 19.23 20.46 o
0 6 0 87708.25 86782.79 526.81 o
1 6 0 8010.10 8001.35 69.21 o
2 6 0 28527.12 28335.06 164.39 o
3 6 0 736.87 682.07 17.00 o
4 6 0 43748.94 42299.89 263.32 o
5 6 0 181.98 130.15 11.09 o
6 6 0 23378.54 22917.90 165.87 o
7 6 0 629.77 612.56 32.02 o
8 6 0 9933.45 9873.23 136.27 o
9 6 0 891.07 888.65 46.10 o
10 6 0 11262.34 11583.40 257.37 o
1 7 0 61196.86 60333.64 287.70 o
2 7 0 363.86 352.28 15.37 o
3 7 0 18731.38 18072.52 121.60 o
4 7 0 366.81 335.52 14.86 o
5 7 0 36812.74 36464.03 234.59 o
6 7 0 136.87 101.62 14.38 o
7 7 0 10290.80 10309.14 128.66 o
8 7 0 5.92 12.07 15.77 o
9 7 0 12417.83 12403.88 181.06 o
10 7 0 116.25 77.95 87.09 o
0 8 0 27220.96 26935.46 216.62 o
1 8 0 1249.18 1167.38 23.87 o
2 8 0 35860.84 35525.55 276.85 o
3 8 0 855.01 822.63 24.07 o
4 8 0 25106.69 25009.89 171.24 o
5 8 0 206.92 153.87 14.31 o
6 8 0 19788.84 19352.57 185.81 o
7 8 0 231.46 236.58 21.33 o
8 8 0 9022.74 9034.89 140.18 o
9 8 0 243.22 198.17 27.58 o
1 9 0 24620.93 24756.09 166.87 o
2 9 0 1551.82 1654.25 41.54 o
3 9 0 18850.74 18684.55 152.58 o
4 9 0 3051.50 3037.16 57.33 o
5 9 0 24262.01 24069.72 201.78 o
6 9 0 2344.05 2272.41 60.45 o
7 9 0 10925.40 10712.91 136.94 o
8 9 0 1032.46 1068.23 49.37 o
9 9 0 7869.33 8307.71 474.49 o
0 10 0 42675.32 43650.25 399.73 o
1 10 0 1159.89 1198.35 34.37 o
2 10 0 17052.02 17255.97 158.43 o
3 10 0 167.33 171.28 14.68 o
4 10 0 21076.39 20804.14 194.27 o
5 10 0 322.23 306.44 22.30 o
6 10 0 11745.89 11642.56 150.21 o
7 10 0 297.51 269.79 22.84 o
8 10 0 7749.61 7865.16 164.44 o
1 11 0 24092.91 24552.07 234.09 o
2 11 0 74.25 46.88 14.99 o
3 11 0 22881.45 23143.83 201.75 o
4 11 0 534.50 505.46 29.33 o
5 11 0 11708.46 11392.32 141.34 o
6 11 0 124.15 121.71 20.05 o
7 11 0 10288.87 10064.74 163.26 o
0 12 0 12645.36 13230.35 239.57 o
1 12 0 3108.80 3399.42 100.28 o
2 12 0 16192.71 17030.08 222.64 o
3 12 0 1306.91 1302.76 47.59 o
4 12 0 14266.00 14427.52 200.57 o
5 12 0 1.62 14.66 19.84 o
6 12 0 11282.81 11147.53 196.87 o
7 12 0 194.42 95.64 40.30 o
1 13 0 13683.63 14418.91 264.73 o
2 13 0 349.13 363.70 30.38 o
3 13 0 11231.23 11700.21 216.96 o
4 13 0 622.55 634.36 40.33 o
5 13 0 10722.28 10721.94 254.79 o
6 13 0 357.76 415.80 151.87 o
0 14 0 11201.36 11984.57 478.99 o
1 14 0 111.03 151.85 22.94 o
2 14 0 14107.93 14800.96 200.95 o
3 14 0 3.89 11.19 21.05 o
4 14 0 6896.87 7176.14 174.23 o
5 14 0 51.12 79.18 70.71 o
1 15 0 7153.41 7702.11 186.06 o
2 15 0 211.19 217.78 39.31 o
3 15 0 11837.27 12259.67 514.26 o
4 15 0 1095.36 1234.35 124.84 o
-11 0 1 183.01 224.02 45.17 o
-9 0 1 60.63 89.91 21.49 o
-7 0 1 4801.66 4673.16 94.57 o
-5 0 1 1159.40 1176.37 25.70 o
-3 0 1 4767.56 4763.49 47.76 o
-1 0 1 1000.65 1217.39 13.46 o
1 0 1 10432.18 10412.21 49.07 o
3 0 1 7004.25 7251.53 58.38 o
5 0 1 7649.72 7614.46 80.92 o
7 0 1 5622.76 5647.77 96.59 o
9 0 1 2689.66 2706.91 94.21 o
11 0 1 3405.31 3655.73 141.28 o
-11 1 1 26.32 30.86 22.73 o
-10 1 1 339.10 358.44 27.19 o
-9 1 1 459.35 426.36 25.87 o
-8 1 1 41.09 38.38 12.62 o
-7 1 1 45.88 41.67 9.36 o
-6 1 1 1467.51 1466.02 21.78 o
-5 1 1 40.80 59.93 5.32 o
-4 1 1 1359.74 1345.34 15.21 o
-2 1 1 4798.09 4940.67 23.30 o
-1 1 1 5135.60 5355.95 22.93 o
0 1 1 14617.26 14867.88 130.88 o
1 1 1 7876.30 7943.73 30.21 o
2 1 1 2064.24 2204.91 14.00 o
3 1 1 1444.26 1392.58 17.68 o
4 1 1 17897.68 18104.80 99.33 o
5 1 1 132.40 136.90 7.62 o
6 1 1 3387.67 3389.48 41.91 o
7 1 1 1681.35 1648.12 34.43 o
8 1 1 3658.44 3796.58 71.32 o
9 1 1 129.41 125.97 19.18 o
10 1 1 3644.52 3693.23 84.82 o
11 1 1 24.27 -25.71 25.71 o
-11 2 1 193.59 179.87 29.11 o
-10 2 1 14.89 19.07 15.45 o
-9 2 1 91.99 121.54 24.05 o
-8 2 1 279.87 296.29 19.55 o
-7 2 1 24.77 51.17 10.62 o
-6 2 1 293.91 329.09 12.53 o
-5 2 1 5818.00 5655.00 44.82 o
-4 2 1 1289.48 1369.30 18.20 o
-3 2 1 123.22 216.81 7.05 o
-2 2 1 468.15 521.83 7.27 o
-1 2 1 28486.67 28946.41 143.24 o
0 2 1 697.52 789.61 9.24 o
1 2 1 4833.56 4931.49 25.06 o
2 2 1 3592.75 3933.52 22.49 o
3 2 1 3400.50 3244.33 25.97 o
4 2 1 57.92 78.88 6.01 o
5 2 1 10451.01 10468.32 75.82 o
6 2 1 53.86 66.51 6.99 o
7 2 1 1489.28 1541.59 33.89 o
8 2 1 23.97 3.90 12.42 o
9 2 1 5977.70 6121.14 92.47 o
10 2 1 109.87 73.97 20.64 o
11 2 1 898.10 789.43 66.21 o
-11 3 1 9.18 79.53 33.14 o
-10 3 1 34.12 25.03 18.35 o
-9 3 1 463.90 464.90 24.62 o
-8 3 1 1523.87 1599.62 42.56 o
-7 3 1 450.71 464.27 20.01 o
-6 3 1 2636.46 2583.30 34.34 o
-5 3 1 2.76 14.49 6.07 o
-4 3 1 2629.16 2706.88 26.13 o
-3 3 1 5.08 43.18 4.23 o
-2 3 1 13318.14 13335.69 65.88 o
0 3 1 5114.42 5284.57 32.09 o
1 3 1 717.40 790.33 11.41 o
2 3 1 12859.75 13161.08 61.02 o
3 3 1 155.87 204.76 6.21 o
4 3 1 6587.02 6599.63 50.23 o
5 3 1 356.92 360.41 13.97 o
6 3 1 7892.68 7828.61 66.10 o
7 3 1 26.52 15.01 9.84 o
8 3 1 2385.89 2454.88 53.97 o
9 3 1 4.62 7.61 14.21 o
10 3 1 4067.74 4150.03 86.95 o
11 3 1 21.86 37.71 36.58 o
-11 4 1 63.19 -6.97 59.01 o
-10 4 1 142.29 178.28 24.90 o
-9 4 1 374.99 455.39 29.56 o
-8 4 1 39.91 28.96 12.96 o
-7 4 1 791.56 837.09 28.17 o
-6 4 1 1322.08 1272.25 28.23 o
-5 4 1 2430.23 2512.86 31.42 o
-4 4 1 4.61 23.34 5.76 o
-3 4 1 1834.02 1859.66 21.55 o
-2 4 1 9039.96 9438.90 60.23 o
-1 4 1 9088.48 9014.00 59.23 o
0 4 1 897.47 1032.25 16.04 o
1 4 1 14220.70 14813.03 111.49 o
2 4 1 335.29 297.98 7.80 o
3 4 1 11387.09 11775.31 68.60 o
4 4 1 87.58 88.59 5.39 o
5 4 1 10675.84 10828.52 87.26 o
6 4 1 135.02 147.59 12.02 o
7 4 1 2976.48 3002.33 55.81 o
8 4 1 2156.84 2125.04 57.63 o
9 4 1 3360.66 3399.45 78.32 o
10 4 1 110.32 136.62 21.06 o
11 4 1 1709.51 1355.24 178.79 o
-10 5 1 493.90 549.44 37.59 o
-9 5 1 49.92 52.17 17.00 o
-8 5 1 183.61 146.38 17.15 o
-7 5 1 360.26 373.49 20.89 o
-6 5 1 1484.26 1582.32 36.89 o
-5 5 1 34.83 41.84 5.75 o
-4 5 1 2188.13 2125.33 26.96 o
-3 5 1 2423.49 2419.26 25.44 o
-2 5 1 648.59 741.15 23.99 o
-1 5 1 971.45 1099.06 19.86 o
0 5 1 14965.26 15076.02 93.93 o
1 5 1 172.14 188.05 9.69 o
2 5 1 123.83 201.57 8.96 o
3 5 1 441.22 426.72 13.00 o
4 5 1 9206.75 8984.04 66.83 o
5 5 1 160.29 152.12 7.24 o
6 5 1 2194.08 2304.48 43.72 o
7 5 1 229.86 213.33 17.45 o
8 5 1 3664.89 3748.06 73.99 o
9 5 1 201.68 220.68 25.04 o
10 5 1 2592.58 2701.35 81.33 o
-10 6 1 91.43 126.72 34.39 o
-9 6 1 64.58 49.31 17.73 o
-8 6 1 1431.13 1534.33 51.66 o
-7 6 1 700.13 734.32 31.14 o
-6 6 1 9.45 14.05 10.11 o
-5 6 1 323.53 340.27 23.21 o
-4 6 1 706.80 716.05 15.25 o
-3 6 1 3535.47 3475.61 41.14 o
-2 6 1 245.40 315.84 13.64 o
-1 6 1 2951.19 2937.03 36.16 o
0 6 1 170.36 182.80 8.64 o
1 6 1 2577.19 2559.25 57.58 o
2 6 1 3178.51 3306.00 44.35 o
3 6 1 3811.92 3726.12 49.94 o
4 6 1 1022.52 941.27 21.89 o
5 6 1 5213.27 5103.42 65.11 o
6 6 1 385.18 400.29 21.54 o
7 6 1 2921.99 2912.41 62.76 o
8 6 1 62.87 23.46 20.64 o
9 6 1 2651.43 2731.65 79.45 o
10 6 1 227.03 198.85 36.21 o
-10 7 1 92.75 49.28 37.10 o
-9 7 1 9.06 -0.82 19.61 o
-8 7 1 648.66 670.79 36.59 o
-7 7 1 782.41 775.73 31.34 o
-6 7 1 1232.07 1227.55 38.99 o
-5 7 1 104.38 103.34 11.94 o
-4 7 1 1917.41 1929.97 30.40 o
-3 7 1 449.93 435.21 16.52 o
-2 7 1 1170.39 1126.43 28.33 o
-1 7 1 4150.40 4082.91 45.59 o
0 7 1 6720.52 6613.07 58.61 o
1 7 1 71.94 75.41 8.38 o
2 7 1 8850.38 8848.48 85.39 o
3 7 1 4071.21 3932.19 47.88 o
4 7 1 4226.99 4239.92 49.74 o
5 7 1 59.11 51.02 11.81 o
6 7 1 6686.67 6596.80 92.17 o
7 7 1 1141.49 1160.51 41.93 o
8 7 1 1832.03 1859.94 59.92 o
9 7 1 304.34 296.23 30.99 o
10 7 1 2176.21 2173.32 216.94 o
-10 8 1 10.30 -44.80 76.89 o
-9 8 1 722.80 766.36 48.12 o
-8 8 1 204.05 188.14 21.91 o
-7 8 1 50.93 80.03 14.87 o
-6 8 1 349.09 355.29 22.61 o
-5 8 1 5100.64 4966.69 72.04 o
-4 8 1 321.96 299.53 14.88 o
-3 8 1 608.00 566.16 22.01 o
-2 8 1 4103.70 4175.54 56.99 o
-1 8 1 6707.94 6618.49 58.45 o
0 8 1 202.11 192.92 10.58 o
1 8 1 4067.67 4269.62 59.20 o
2 8 1 681.17 677.57 25.26 o
3 8 1 2560.42 2541.02 41.86 o
4 8 1 909.39 929.97 29.09 o
5 8 1 7057.70 7132.38 128.81 o
6 8 1 316.51 272.20 20.67 o
7 8 1 1033.60 1099.43 42.85 o
8 8 1 1691.60 1691.83 59.91 o
9 8 1 3386.51 3335.69 113.65 o
-9 9 1 761.68 674.24 93.63 o
-8 9 1 20.68 32.65 22.21 o
-7 9 1 544.57 536.78 30.33 o
-6 9 1 362.46 385.45 26.97 o
-5 9 1 391.95 434.30 24.61 o
-4 9 1 1550.54 1514.84 40.56 o
-3 9 1 1480.24 1489.02 36.22 o
-2 9 1 2039.88 1961.36 39.35 o
-1 9 1 58.47 58.65 9.40 o
0 9 1 4643.00 4783.98 56.69 o
1 9 1 2146.39 2195.81 44.37 o
2 9 1 2685.13 2700.13 53.16 o
3 9 1 1220.23 1219.82 34.03 o
4 9 1 2481.53 2472.82 51.64 o
5 9 1 1121.35 1149.44 38.79 o
6 9 1 4111.70 4133.39 79.13 o
7 9 1 121.61 85.07 15.24 o
8 9 1 1656.05 1717.23 62.71 o
9 9 1 598.10 600.50 123.34 o
-9 10 1 223.41 31.61 60.91 o
-8 10 1 401.00 318.45 37.88 o
-7 10 1 720.05 681.94 36.64 o
-6 10 1 1918.70 1931.46 58.43 o
-5 10 1 297.90 299.57 22.60 o
-4 10 1 27.47 10.31 13.02 o
-3 10 1 2071.60 2141.23 51.35 o
-2 10 1 3126.53 3130.89 60.56 o
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0 10 1 842.82 829.86 28.82 o
1 10 1 4943.15 5106.56 73.36 o
2 10 1 699.15 671.69 28.59 o
3 10 1 2595.74 2749.02 54.56 o
4 10 1 1476.92 1488.40 50.96 o
5 10 1 3062.15 3090.71 67.07 o
6 10 1 25.71 12.78 16.02 o
7 10 1 3212.97 3189.10 79.29 o
8 10 1 463.96 411.99 41.53 o
-8 11 1 89.84 193.81 219.32 o
-7 11 1 604.79 613.17 39.32 o
-6 11 1 400.48 430.20 29.76 o
-5 11 1 503.49 491.25 29.64 o
-4 11 1 2451.33 2473.96 61.42 o
-3 11 1 1228.11 1242.87 41.13 o
-2 11 1 65.88 69.10 17.73 o
-1 11 1 2689.00 2985.69 72.55 o
0 11 1 4789.57 5049.51 89.98 o
1 11 1 37.17 37.01 13.71 o
2 11 1 950.65 1037.36 37.46 o
3 11 1 2081.34 2261.18 55.68 o
4 11 1 3648.17 3612.57 75.87 o
5 11 1 61.99 62.03 14.72 o
6 11 1 2263.29 2389.85 68.87 o
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8 11 1 1551.28 1367.63 187.27 o
-7 12 1 33.38 98.96 31.55 o
-6 12 1 181.68 143.45 21.70 o
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-4 12 1 1199.07 1177.16 49.18 o
-3 12 1 579.59 580.04 33.34 o
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0 12 1 981.43 1041.24 51.63 o
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2 14 1 353.51 423.29 34.48 o
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-4 15 1 1059.31 1022.53 148.01 o
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-1 15 1 1088.01 1179.61 78.17 o
0 15 1 1947.75 2078.29 142.12 o
1 15 1 732.29 762.25 54.70 o
2 15 1 1043.35 1043.20 82.31 o
3 15 1 368.90 421.47 78.26 o
4 15 1 1774.58 1638.18 185.28 o
-10 0 2 5039.25 5352.36 141.34 o
-8 0 2 14530.08 14646.00 181.90 o
-6 0 2 31426.60 31206.06 226.48 o
-4 0 2 16107.77 15946.22 111.27 o
-2 0 2 82382.98 82897.23 545.69 o
0 0 2 28928.31 30295.27 177.06 o
2 0 2 9639.33 9448.33 69.01 o
4 0 2 35881.21 35280.04 225.13 o
6 0 2 13060.97 12795.38 112.70 o
8 0 2 5836.90 5981.56 108.71 o
10 0 2 7158.89 7192.05 171.18 o
-11 1 2 10296.09 10935.86 188.87 o
-10 1 2 49.12 39.41 16.12 o
-9 1 2 6853.83 6981.19 101.81 o
-8 1 2 100.22 77.84 12.65 o
-7 1 2 23120.06 23286.57 142.93 o
-6 1 2 994.19 968.42 17.83 o
-5 1 2 33867.40 33566.24 140.73 o
-4 1 2 176.56 137.85 5.31 o
-3 1 2 17526.99 17453.97 74.02 o
-2 1 2 136.88 164.47 3.93 o
-1 1 2 89499.00 92803.98 357.91 o
0 1 2 7520.49 7696.76 32.23 o
1 1 2 26453.53 26565.76 114.69 o
2 1 2 97.41 101.27 3.38 o
3 1 2 50842.12 49882.35 197.85 o
4 1 2 92.88 102.12 4.80 o
5 1 2 21844.27 21378.20 121.68 o
6 1 2 0.49 -5.03 5.03 o
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