#------------------------------------------------------------------------------
#$Date: 2023-12-20 05:03:28 +0200 (Wed, 20 Dec 2023) $
#$Revision: 288434 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/29/2022971.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_2022971
_cell_angle_alpha                90.000
_cell_angle_beta                 97.394
_cell_angle_gamma                90.000
_cell_length_a                   8.1898
_cell_length_b                   11.1421
_cell_length_c                   15.3064
_exptl_crystal_F_000             880.00
_reflns_d_resolution_high        0.6923
_cod_data_source_file            yz20441bsup8.hkl
_cod_data_source_block           1b
_shelx_title                     ' Kolibri in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            403.85
_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 20008.11 20285.69 111.46 o
4 0 0 85386.68 82163.57 465.19 o
6 0 0 36246.33 35549.17 336.84 o
8 0 0 5613.46 5671.67 125.72 o
10 0 0 22452.77 22698.53 377.05 o
1 1 0 91819.19 92570.21 325.34 o
2 1 0 398.97 461.35 10.43 o
3 1 0 27369.87 27227.77 132.34 o
4 1 0 208.97 227.29 16.08 o
5 1 0 88231.77 86162.38 406.28 o
6 1 0 128.80 116.60 22.53 o
7 1 0 8805.45 8777.26 104.06 o
8 1 0 418.92 413.26 34.90 o
9 1 0 16402.83 17070.85 185.95 o
10 1 0 36.62 47.45 46.17 o
11 1 0 7758.24 7977.73 596.18 o
0 2 0 90969.73 96061.76 658.20 o
1 2 0 8756.61 9146.72 43.76 o
2 2 0 19726.46 19636.12 80.40 o
3 2 0 2926.98 2992.15 31.04 o
4 2 0 62459.88 61692.96 255.37 o
5 2 0 185.06 161.26 15.24 o
6 2 0 42997.38 42115.18 227.78 o
7 2 0 81.13 109.22 23.65 o
8 2 0 6266.52 6286.09 101.16 o
9 2 0 499.41 600.93 50.00 o
10 2 0 14707.14 14826.55 233.29 o
11 2 0 266.02 249.59 94.99 o
1 3 0 135034.08 137541.06 613.16 o
2 3 0 7647.24 8115.77 54.11 o
3 3 0 10942.75 10596.37 73.56 o
4 3 0 4659.44 4641.76 49.03 o
5 3 0 85125.12 82377.16 472.49 o
6 3 0 3236.69 3086.06 51.56 o
7 3 0 4123.96 4277.91 74.96 o
8 3 0 679.26 715.74 45.85 o
9 3 0 20451.68 20523.88 247.37 o
10 3 0 0.01 -56.37 56.37 o
11 3 0 6075.23 5868.38 203.76 o
0 4 0 163097.03 169493.53 822.98 o
1 4 0 33.77 64.24 8.21 o
2 4 0 23662.68 23395.16 122.08 o
3 4 0 828.29 919.87 21.45 o
4 4 0 53370.21 52572.30 257.77 o
5 4 0 231.15 226.94 19.30 o
6 4 0 30406.06 30632.77 235.28 o
7 4 0 174.74 158.85 29.41 o
8 4 0 7732.82 7756.89 141.56 o
9 4 0 628.33 657.89 55.80 o
10 4 0 16997.63 17619.59 287.46 o
11 4 0 223.78 44.21 90.58 o
1 5 0 54347.76 53651.43 232.33 o
2 5 0 2516.17 2590.29 34.48 o
3 5 0 33440.78 33380.86 188.58 o
4 5 0 8807.51 8693.68 79.92 o
5 5 0 50835.60 49937.69 292.80 o
6 5 0 2797.88 2931.36 67.08 o
7 5 0 14409.04 14333.05 180.05 o
8 5 0 1191.17 1142.48 63.08 o
9 5 0 7982.47 8017.59 158.23 o
10 5 0 0.05 24.84 51.60 o
11 5 0 5832.56 4906.29 343.36 o
0 6 0 97284.69 96854.98 664.27 o
1 6 0 16681.02 16826.19 133.44 o
2 6 0 22462.87 21946.76 140.79 o
3 6 0 2905.77 2819.59 37.91 o
4 6 0 44327.23 43420.83 234.13 o
5 6 0 368.89 298.84 31.16 o
6 6 0 21076.10 21179.29 213.94 o
7 6 0 1066.30 1000.99 53.24 o
8 6 0 7613.64 7723.02 144.56 o
9 6 0 1783.29 1890.35 92.59 o
10 6 0 10504.92 10470.80 285.31 o
1 7 0 57828.40 57884.96 332.74 o
2 7 0 1387.29 1298.21 31.33 o
3 7 0 16527.94 16142.53 134.86 o
4 7 0 2766.52 2673.06 56.16 o
5 7 0 36387.60 36758.30 293.50 o
6 7 0 1589.43 1568.91 65.32 o
7 7 0 8583.21 8708.25 150.38 o
8 7 0 244.99 216.81 46.08 o
9 7 0 12018.57 12160.51 243.89 o
10 7 0 17.18 -24.45 89.84 o
0 8 0 25993.57 25616.17 242.64 o
1 8 0 5911.82 5764.47 72.60 o
2 8 0 34144.39 33710.01 305.42 o
3 8 0 2874.97 2810.00 67.59 o
4 8 0 24848.60 25082.00 243.77 o
5 8 0 64.70 58.44 37.25 o
6 8 0 18253.97 18220.64 230.29 o
7 8 0 558.90 561.91 52.32 o
8 8 0 8739.62 8994.30 172.64 o
9 8 0 917.20 888.46 79.14 o
10 8 0 5946.36 5616.43 497.57 o
1 9 0 23732.78 23854.81 201.50 o
2 9 0 2925.02 2981.33 67.07 o
3 9 0 18968.37 18646.60 200.94 o
4 9 0 5954.39 6016.67 117.15 o
5 9 0 21268.48 21560.38 239.46 o
6 9 0 4503.25 4511.03 118.71 o
7 9 0 9549.86 9680.84 178.34 o
8 9 0 2106.39 2024.40 100.88 o
9 9 0 6433.64 6723.24 388.72 o
0 10 0 34852.02 34506.34 400.24 o
1 10 0 3117.04 3198.70 71.94 o
2 10 0 19158.07 19160.21 196.68 o
3 10 0 1048.58 1087.48 55.53 o
4 10 0 17866.63 17519.14 269.25 o
5 10 0 173.21 146.77 46.52 o
6 10 0 10151.01 10167.50 183.58 o
7 10 0 387.66 395.60 52.64 o
8 10 0 7540.48 7515.22 188.23 o
9 10 0 1135.78 1010.06 241.44 o
1 11 0 20241.06 20491.77 228.27 o
2 11 0 435.96 404.83 42.78 o
3 11 0 24643.53 24235.93 289.09 o
4 11 0 1556.93 1486.72 72.02 o
5 11 0 8330.00 8230.01 172.25 o
6 11 0 741.82 672.34 57.01 o
7 11 0 10994.50 10936.15 215.07 o
8 11 0 293.91 182.24 100.81 o
0 12 0 9014.67 9736.00 321.95 o
1 12 0 4635.02 4938.45 126.25 o
2 12 0 16931.25 16880.94 247.38 o
3 12 0 1715.38 1712.84 89.61 o
4 12 0 11671.11 11967.62 209.94 o
5 12 0 37.06 27.22 57.53 o
6 12 0 9197.45 9046.94 207.14 o
7 12 0 264.95 214.62 82.34 o
1 13 0 11237.78 11528.31 283.04 o
2 13 0 345.71 324.18 60.02 o
3 13 0 12180.79 12208.35 228.40 o
4 13 0 842.86 835.74 73.75 o
5 13 0 6672.13 6673.47 214.70 o
6 13 0 426.22 459.05 124.83 o
0 14 0 6523.13 6640.30 302.93 o
1 14 0 230.26 218.90 66.83 o
2 14 0 15344.00 15948.08 315.33 o
3 14 0 101.36 121.55 67.45 o
4 14 0 5176.83 4958.53 184.22 o
5 14 0 29.45 11.50 101.20 o
1 15 0 5958.49 6177.85 363.24 o
2 15 0 258.12 127.75 90.65 o
3 15 0 11688.34 11199.02 505.49 o
-11 0 1 468.96 850.32 148.32 o
-9 0 1 605.72 674.12 66.33 o
-7 0 1 7792.01 7856.77 151.40 o
-5 0 1 262.40 276.24 41.06 o
-3 0 1 2525.09 2509.93 36.26 o
-1 0 1 7141.63 7580.54 95.85 o
1 0 1 1991.55 1964.26 18.54 o
3 0 1 23048.28 23602.37 178.64 o
5 0 1 6168.83 6258.96 82.98 o
7 0 1 8108.79 8241.91 142.25 o
9 0 1 6380.95 6477.07 181.99 o
11 0 1 3250.12 2938.00 380.85 o
-11 1 1 16.57 189.78 95.08 o
-10 1 1 30.90 24.78 38.89 o
-9 1 1 554.15 575.29 41.71 o
-8 1 1 339.51 333.07 34.11 o
-7 1 1 122.26 102.13 26.67 o
-6 1 1 4408.20 4525.23 66.91 o
-5 1 1 379.63 386.00 22.17 o
-4 1 1 469.64 503.04 20.69 o
-3 1 1 88.53 143.82 10.96 o
-2 1 1 15399.92 15650.53 61.15 o
-1 1 1 4000.92 4129.57 26.19 o
0 1 1 10951.79 11306.39 79.04 o
1 1 1 8358.15 8425.28 34.66 o
2 1 1 2910.36 2885.21 20.41 o
3 1 1 1336.37 1321.85 22.02 o
4 1 1 34205.52 34177.28 158.32 o
5 1 1 441.89 445.10 19.43 o
6 1 1 1146.80 1163.03 30.03 o
7 1 1 2080.21 2078.65 47.85 o
8 1 1 11227.48 11487.29 139.34 o
9 1 1 4.44 17.08 33.35 o
10 1 1 3314.90 3509.75 118.53 o
11 1 1 22.54 -44.49 118.26 o
-11 2 1 330.12 364.71 85.54 o
-10 2 1 156.07 188.01 41.32 o
-9 2 1 640.10 639.46 49.51 o
-8 2 1 688.59 722.29 41.16 o
-7 2 1 160.53 181.60 26.76 o
-6 2 1 864.74 850.95 27.65 o
-5 2 1 3105.05 3017.46 42.93 o
-4 2 1 1180.46 1208.07 24.65 o
-3 2 1 249.76 296.83 14.74 o
-2 2 1 276.25 305.34 10.07 o
-1 2 1 49349.77 50281.65 199.31 o
0 2 1 17.76 51.97 6.34 o
1 2 1 352.57 417.51 13.73 o
2 2 1 7386.07 7823.88 46.31 o
3 2 1 15156.34 14805.08 80.09 o
4 2 1 123.16 91.64 13.82 o
5 2 1 8620.15 8667.32 73.91 o
6 2 1 128.56 141.51 16.22 o
7 2 1 2706.37 2784.97 55.54 o
8 2 1 8.41 -8.99 30.42 o
9 2 1 9528.36 9520.29 172.77 o
10 2 1 12.04 69.55 42.75 o
11 2 1 493.85 423.30 110.60 o
-11 3 1 13.26 24.58 81.19 o
-10 3 1 39.70 18.39 45.23 o
-9 3 1 204.35 201.36 40.31 o
-8 3 1 344.02 306.61 39.64 o
-7 3 1 804.44 790.15 37.56 o
-6 3 1 4971.04 4844.74 72.95 o
-5 3 1 875.77 850.35 27.55 o
-4 3 1 20.71 69.16 11.83 o
-3 3 1 472.65 437.29 13.41 o
-2 3 1 23404.89 23581.11 119.58 o
-1 3 1 1299.68 1389.07 20.94 o
0 3 1 2926.63 3027.67 25.51 o
1 3 1 471.19 523.03 12.00 o
2 3 1 13357.76 13685.32 66.33 o
3 3 1 473.09 523.95 14.59 o
4 3 1 14508.41 14269.53 99.46 o
5 3 1 102.60 121.81 14.90 o
6 3 1 4868.45 4893.29 67.44 o
7 3 1 124.34 141.74 31.58 o
8 3 1 7107.77 7078.43 130.41 o
9 3 1 85.20 93.62 41.15 o
10 3 1 3900.74 3960.08 132.22 o
11 3 1 60.13 60.38 98.97 o
-11 4 1 56.15 10.40 101.44 o
-10 4 1 26.86 32.39 52.44 o
-9 4 1 41.92 19.68 43.11 o
-8 4 1 152.24 167.00 36.73 o
-7 4 1 1270.40 1264.98 49.57 o
-6 4 1 244.88 258.54 27.48 o
-5 4 1 1394.27 1402.21 27.95 o
-4 4 1 50.39 69.14 11.78 o
-3 4 1 814.80 851.35 22.11 o
-2 4 1 12833.75 13380.36 84.02 o
-1 4 1 16922.92 16848.84 91.74 o
0 4 1 6133.64 6346.82 41.78 o
1 4 1 7937.92 8390.45 56.79 o
2 4 1 2368.36 2194.61 25.98 o
3 4 1 22925.34 23304.02 111.47 o
4 4 1 827.58 829.63 24.68 o
5 4 1 10415.51 10326.73 87.74 o
6 4 1 55.84 58.31 21.81 o
7 4 1 4646.22 4604.74 91.56 o
8 4 1 2075.08 2079.95 77.94 o
9 4 1 6784.69 6886.71 158.76 o
10 4 1 749.73 853.60 81.31 o
11 4 1 1816.35 1705.85 288.05 o
-10 5 1 214.96 154.52 64.47 o
-9 5 1 1.88 -13.50 45.64 o
-8 5 1 874.21 832.92 53.92 o
-7 5 1 961.83 927.40 48.85 o
-6 5 1 2187.41 2364.03 59.75 o
-5 5 1 1180.85 1169.88 38.50 o
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-1 5 1 185.86 135.90 11.02 o
0 5 1 13365.64 13607.78 80.98 o
1 5 1 161.26 151.16 14.22 o
2 5 1 198.96 236.53 16.10 o
3 5 1 963.57 969.69 25.52 o
4 5 1 15628.96 15230.86 101.58 o
5 5 1 528.25 520.45 26.34 o
6 5 1 1790.24 1919.83 53.46 o
7 5 1 1260.04 1251.59 53.74 o
8 5 1 7141.52 7099.71 132.71 o
9 5 1 52.63 12.65 47.55 o
10 5 1 2589.22 2794.57 119.37 o
-10 6 1 169.78 291.18 107.52 o
-9 6 1 47.44 54.36 43.24 o
-8 6 1 2345.76 2348.31 85.61 o
-7 6 1 657.84 580.84 49.70 o
-6 6 1 746.72 787.15 46.59 o
-5 6 1 86.82 45.58 23.43 o
-4 6 1 165.29 176.50 22.09 o
-3 6 1 2790.98 2774.77 42.55 o
-2 6 1 38.81 49.16 16.27 o
-1 6 1 4648.63 4627.48 47.49 o
0 6 1 1859.40 1790.06 30.18 o
1 6 1 1558.33 1514.38 33.55 o
2 6 1 8491.46 8703.54 69.05 o
3 6 1 7771.72 7835.73 88.66 o
4 6 1 50.46 75.28 16.11 o
5 6 1 5644.91 5711.50 80.17 o
6 6 1 441.54 508.30 35.09 o
7 6 1 4643.75 4650.43 106.17 o
8 6 1 146.67 99.60 41.35 o
9 6 1 4038.12 4301.09 135.47 o
10 6 1 5.72 -81.76 92.72 o
-10 7 1 3.25 -80.26 130.29 o
-9 7 1 81.74 47.63 48.87 o
-8 7 1 201.95 212.79 46.30 o
-7 7 1 1486.85 1587.59 71.09 o
-6 7 1 1095.72 1137.08 59.02 o
-5 7 1 1150.48 1122.97 50.98 o
-4 7 1 1395.62 1440.63 46.86 o
-3 7 1 2614.78 2702.00 61.24 o
-2 7 1 1516.81 1540.02 53.48 o
-1 7 1 461.57 435.88 17.82 o
0 7 1 7994.04 7820.96 68.55 o
1 7 1 192.52 231.52 19.42 o
2 7 1 9591.31 9733.25 93.22 o
3 7 1 4709.31 4698.23 65.49 o
4 7 1 6571.42 6650.09 86.63 o
5 7 1 1992.57 2032.04 56.99 o
6 7 1 7824.60 7847.72 141.41 o
7 7 1 2930.22 2851.70 92.00 o
8 7 1 3301.13 3197.58 114.30 o
9 7 1 25.92 98.64 51.61 o
10 7 1 3193.21 3292.47 226.77 o
-9 8 1 365.86 426.27 63.56 o
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-7 8 1 196.18 199.25 48.09 o
-6 8 1 31.18 30.28 41.96 o
-5 8 1 4248.67 4063.21 91.91 o
-4 8 1 83.91 98.33 37.69 o
-3 8 1 463.80 452.83 35.29 o
-2 8 1 5037.20 5220.50 91.31 o
-1 8 1 6891.09 6858.89 97.56 o
0 8 1 1458.96 1464.71 34.96 o
1 8 1 5764.76 5780.57 70.98 o
2 8 1 2833.09 2899.95 45.94 o
3 8 1 3405.34 3272.15 58.99 o
4 8 1 113.62 75.63 32.69 o
5 8 1 8531.44 8614.88 138.18 o
6 8 1 332.06 232.34 43.97 o
7 8 1 1667.82 1748.27 78.14 o
8 8 1 1074.33 1016.10 72.75 o
9 8 1 4258.37 4605.17 148.52 o
-9 9 1 274.58 439.06 95.25 o
-8 9 1 13.30 -47.94 47.94 o
-7 9 1 735.27 767.15 61.92 o
-6 9 1 33.18 79.91 43.69 o
-5 9 1 344.72 278.62 40.46 o
-4 9 1 1882.28 1867.15 67.14 o
-3 9 1 3181.43 3182.73 75.10 o
-2 9 1 1265.21 1165.45 56.44 o
-1 9 1 1774.83 1761.12 63.37 o
0 9 1 4880.56 4874.05 74.06 o
1 9 1 1379.21 1370.00 50.37 o
2 9 1 3479.64 3352.17 70.66 o
3 9 1 1223.84 1214.94 51.81 o
4 9 1 2675.13 2738.61 79.11 o
5 9 1 15.18 80.49 38.14 o
6 9 1 6403.57 6656.84 135.81 o
7 9 1 616.68 665.22 57.55 o
8 9 1 1836.83 1706.38 89.82 o
9 9 1 18.15 89.37 211.58 o
-9 10 1 207.21 277.37 176.11 o
-8 10 1 585.19 589.71 66.30 o
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-6 10 1 550.61 540.13 56.51 o
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-3 10 1 1711.92 1763.80 71.99 o
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-1 10 1 198.06 216.88 38.34 o
0 10 1 180.18 202.52 30.94 o
1 10 1 7229.70 7308.67 111.34 o
2 10 1 1678.98 1820.71 61.24 o
3 10 1 1721.36 1790.71 71.49 o
4 10 1 68.56 82.53 40.48 o
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6 10 1 19.68 -30.86 44.08 o
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8 10 1 420.91 250.55 68.63 o
-8 11 1 55.60 -47.21 84.29 o
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-6 11 1 22.05 18.92 49.04 o
-5 11 1 63.82 67.92 47.78 o
-4 11 1 3586.67 3411.46 101.11 o
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-1 11 1 336.60 340.33 42.23 o
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1 11 1 31.93 34.92 34.90 o
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3 11 1 1364.11 1302.85 75.19 o
4 11 1 3236.15 3256.57 101.09 o
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0 14 1 70.40 100.59 61.58 o
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3 14 1 278.40 317.33 71.79 o
4 14 1 343.91 252.06 83.63 o
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-3 15 1 419.51 126.13 125.08 o
-2 15 1 17.56 20.67 111.58 o
-1 15 1 249.86 128.75 103.08 o
0 15 1 2350.28 2285.90 250.15 o
1 15 1 206.17 257.75 165.52 o
2 15 1 1392.21 1137.31 144.77 o
3 15 1 44.06 161.35 129.70 o
-10 0 2 8751.71 9056.90 232.86 o
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-6 0 2 45883.88 45091.25 373.88 o
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0 0 2 38755.98 40444.38 212.88 o
2 0 2 850.32 839.35 17.88 o
4 0 2 49837.50 48588.32 380.77 o
6 0 2 4421.84 4307.86 86.25 o
8 0 2 4261.91 4276.93 107.84 o
10 0 2 5246.64 5194.20 198.75 o
-11 1 2 12959.20 13424.04 285.09 o
-10 1 2 182.14 109.05 44.86 o
-9 1 2 5928.53 6136.35 110.94 o
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-7 1 2 19236.51 19229.47 166.49 o
-6 1 2 1152.78 1157.77 33.83 o
-5 1 2 49389.58 48261.43 266.33 o
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0 1 2 8773.00 8860.80 48.17 o
1 1 2 13598.32 13636.76 53.89 o
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