#------------------------------------------------------------------------------
#$Date: 2023-12-20 05:03:28 +0200 (Wed, 20 Dec 2023) $
#$Revision: 288434 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/29/2022967.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_2022967
_cell_angle_alpha                90.000
_cell_angle_beta                 93.583
_cell_angle_gamma                90.000
_cell_length_a                   8.4532
_cell_length_b                   10.9040
_cell_length_c                   8.7166
_exptl_crystal_F_000             452.00
_reflns_d_resolution_high        0.6946
_cod_data_source_file            yz20444asup4.hkl
_cod_data_source_block           4a
_shelx_title                     ' Strauss in P2(1)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            206.60
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, 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
0 -14 0 4106.74 4533.33 380.68 o
1 -14 0 383.63 521.54 57.51 o
2 -14 0 1695.38 1676.52 94.79 o
3 -14 0 1304.64 1465.79 90.80 o
4 -14 0 107.41 38.23 59.41 o
5 -14 0 1834.85 1739.40 185.26 o
1 -13 0 2331.05 2383.08 106.81 o
2 -13 0 1136.64 1017.65 80.83 o
3 -13 0 353.49 427.81 53.91 o
4 -13 0 1307.51 1248.59 82.06 o
5 -13 0 348.86 371.95 53.62 o
6 -13 0 1073.54 1052.11 136.94 o
0 -12 0 8253.54 8385.50 392.24 o
1 -12 0 819.01 839.87 63.42 o
2 -12 0 2436.76 2434.54 120.53 o
3 -12 0 2499.28 2515.96 106.27 o
4 -12 0 42.91 54.65 30.19 o
5 -12 0 3027.80 2904.50 151.50 o
6 -12 0 1608.75 1751.86 120.56 o
7 -12 0 528.99 688.39 127.62 o
1 -11 0 3758.87 3751.19 121.55 o
2 -11 0 1226.05 1328.92 73.73 o
3 -11 0 309.10 395.65 46.64 o
4 -11 0 1665.57 1839.00 84.08 o
5 -11 0 538.00 565.67 67.39 o
6 -11 0 1649.05 1590.34 95.24 o
7 -11 0 2205.87 2297.50 119.71 o
8 -11 0 28.49 37.96 42.38 o
0 -10 0 9460.29 9558.40 271.96 o
1 -10 0 1402.23 1452.08 95.85 o
2 -10 0 3276.04 3171.78 87.11 o
3 -10 0 3546.27 3549.05 107.65 o
4 -10 0 11.74 -9.15 26.25 o
5 -10 0 3674.58 3596.44 131.75 o
6 -10 0 3693.75 3540.66 139.37 o
7 -10 0 1012.71 946.80 76.77 o
8 -10 0 4616.68 4380.23 167.62 o
9 -10 0 405.40 333.67 80.82 o
1 -9 0 6339.58 6256.04 116.84 o
2 -9 0 1682.90 1772.18 69.46 o
3 -9 0 265.38 271.48 25.13 o
4 -9 0 2773.14 2917.37 109.07 o
5 -9 0 423.30 466.25 39.69 o
6 -9 0 2739.67 2666.57 94.24 o
7 -9 0 2565.20 2581.96 98.78 o
8 -9 0 48.83 32.81 23.86 o
9 -9 0 1226.70 1277.11 87.34 o
0 -8 0 20213.85 20073.29 286.91 o
1 -8 0 1814.35 1752.26 55.70 o
2 -8 0 6050.64 5719.39 98.96 o
3 -8 0 5255.08 5146.55 106.70 o
4 -8 0 68.60 37.83 16.42 o
5 -8 0 5594.88 5430.83 128.98 o
6 -8 0 3912.51 3870.94 137.50 o
7 -8 0 1354.89 1366.61 67.30 o
8 -8 0 5283.66 5193.56 152.15 o
9 -8 0 448.17 463.37 49.42 o
10 -8 0 837.17 841.73 128.03 o
1 -7 0 6786.65 6666.94 107.14 o
2 -7 0 3887.65 3834.18 50.41 o
3 -7 0 209.07 197.72 20.28 o
4 -7 0 2985.46 3060.05 75.70 o
5 -7 0 1317.55 1286.08 49.89 o
6 -7 0 3372.80 3330.56 83.44 o
7 -7 0 5151.77 5230.30 117.94 o
8 -7 0 133.30 153.07 28.69 o
9 -7 0 1592.13 1503.30 93.27 o
10 -7 0 565.48 522.24 103.10 o
0 -6 0 28711.64 28267.43 503.16 o
1 -6 0 1641.78 1581.14 39.88 o
2 -6 0 6010.73 5866.88 99.64 o
3 -6 0 5498.16 5474.80 85.24 o
4 -6 0 82.15 83.38 14.17 o
5 -6 0 7499.69 7379.51 103.04 o
6 -6 0 4416.30 4380.76 92.93 o
7 -6 0 1417.74 1330.58 49.97 o
8 -6 0 6727.22 6648.07 136.53 o
9 -6 0 745.99 735.89 50.20 o
10 -6 0 1228.64 1300.87 79.84 o
1 -5 0 14261.73 14002.51 165.83 o
2 -5 0 4640.17 4539.74 81.34 o
3 -5 0 1605.88 1670.87 46.67 o
4 -5 0 4703.47 4543.35 76.57 o
5 -5 0 696.12 709.58 27.34 o
6 -5 0 5772.88 5729.68 82.13 o
7 -5 0 6183.18 6133.36 106.41 o
8 -5 0 117.36 121.26 24.44 o
9 -5 0 1990.66 2038.53 78.19 o
10 -5 0 698.45 716.86 59.51 o
0 -4 0 34767.35 33739.10 928.97 o
1 -4 0 4567.77 4723.92 61.60 o
2 -4 0 6433.59 6381.06 96.19 o
3 -4 0 8439.72 8205.92 102.43 o
4 -4 0 139.10 133.59 14.41 o
5 -4 0 7406.75 7398.60 89.28 o
6 -4 0 7961.02 7779.55 76.77 o
7 -4 0 1993.59 1973.22 50.23 o
8 -4 0 8229.66 8041.44 132.71 o
9 -4 0 584.15 601.23 38.96 o
10 -4 0 1106.56 1092.17 69.82 o
1 -3 0 27558.46 27647.48 161.53 o
2 -3 0 4489.54 4564.03 64.62 o
3 -3 0 438.71 446.71 16.06 o
4 -3 0 5908.48 5912.49 65.97 o
5 -3 0 828.14 850.13 19.98 o
6 -3 0 6099.23 5981.35 63.24 o
7 -3 0 5162.69 5201.54 64.25 o
8 -3 0 8.12 36.90 16.00 o
9 -3 0 2209.64 2185.79 68.27 o
10 -3 0 488.18 542.69 66.13 o
11 -3 0 132.45 47.50 47.83 o
0 -2 0 42680.09 37253.00 1221.45 o
1 -2 0 3016.22 3100.68 26.60 o
2 -2 0 9879.87 9966.17 67.13 o
3 -2 0 8887.20 8923.86 71.68 o
4 -2 0 168.64 216.15 9.93 o
5 -2 0 10152.77 10052.36 83.73 o
6 -2 0 9059.43 8845.58 78.09 o
7 -2 0 3116.58 3161.84 48.17 o
8 -2 0 11028.29 11076.96 127.59 o
9 -2 0 983.87 942.31 53.18 o
10 -2 0 1458.86 1555.90 80.68 o
11 -2 0 2622.93 2627.54 111.03 o
1 -1 0 6572.60 6963.08 46.09 o
2 -1 0 5739.09 5879.07 38.80 o
3 -1 0 282.08 256.13 8.14 o
4 -1 0 3466.44 3423.67 36.80 o
5 -1 0 2020.99 2062.32 29.87 o
6 -1 0 6087.88 5961.69 65.31 o
7 -1 0 8217.88 8265.71 89.43 o
8 -1 0 49.73 72.74 14.84 o
9 -1 0 2123.02 2024.04 72.88 o
10 -1 0 827.99 897.07 69.49 o
11 -1 0 87.07 131.42 35.82 o
1 0 0 4544.37 4658.71 54.35 o
2 0 0 22461.29 22654.44 107.45 o
3 0 0 17093.95 17283.88 92.51 o
4 0 0 112.81 145.93 8.78 o
5 0 0 13273.34 13281.77 111.29 o
6 0 0 5802.61 5808.63 76.07 o
7 0 0 2574.47 2572.77 46.45 o
8 0 0 8498.05 8616.02 117.73 o
9 0 0 568.49 603.27 41.44 o
10 0 0 1682.45 1573.81 80.34 o
11 0 0 1625.51 1735.48 89.86 o
1 1 0 6574.96 7011.90 46.47 o
2 1 0 5739.12 5822.97 44.06 o
3 1 0 283.88 267.38 11.26 o
4 1 0 3468.05 3497.44 41.25 o
5 1 0 2019.58 2127.74 36.85 o
6 1 0 6089.35 6000.05 71.50 o
7 1 0 8213.77 8220.63 104.19 o
8 1 0 49.87 37.35 17.40 o
9 1 0 2121.53 2185.81 75.52 o
10 1 0 826.69 758.90 57.63 o
11 1 0 86.89 81.55 32.23 o
0 2 0 42681.72 40669.23 1066.39 o
1 2 0 3014.39 3112.26 30.57 o
2 2 0 9891.44 10027.36 75.15 o
3 2 0 8883.00 8933.66 80.89 o
4 2 0 168.68 207.57 12.31 o
5 2 0 10153.24 10095.74 101.83 o
6 2 0 9060.77 8983.98 106.06 o
7 2 0 3115.97 3219.76 61.03 o
8 2 0 11030.85 11372.97 176.27 o
9 2 0 984.23 968.87 51.48 o
10 2 0 1459.29 1344.26 63.93 o
11 2 0 2624.89 2689.85 110.68 o
12 2 0 22.97 -19.86 55.64 o
1 3 0 27553.30 27793.20 192.42 o
2 3 0 4486.35 4580.73 55.03 o
3 3 0 435.14 449.26 21.88 o
4 3 0 5913.27 6060.88 74.73 o
5 3 0 830.69 844.02 28.08 o
6 3 0 6096.45 6235.56 122.76 o
7 3 0 5162.23 5306.12 140.16 o
8 3 0 8.18 13.71 20.03 o
9 3 0 2209.70 2256.74 78.48 o
10 3 0 487.95 479.32 41.02 o
11 3 0 132.60 65.76 31.05 o
0 4 0 34756.09 35066.87 663.63 o
1 4 0 4568.79 4692.52 51.55 o
2 4 0 6435.24 6400.72 73.81 o
3 4 0 8438.64 8522.98 96.27 o
4 4 0 139.01 145.05 14.02 o
5 4 0 7401.92 7533.78 101.62 o
6 4 0 7961.59 8013.69 112.31 o
7 4 0 1992.73 2080.15 55.57 o
8 4 0 8226.53 8417.31 149.74 o
9 4 0 583.29 656.27 44.17 o
10 4 0 1106.78 1080.78 59.97 o
11 4 0 2052.94 1856.48 126.43 o
1 5 0 14272.64 14388.08 120.53 o
2 5 0 4634.95 4684.33 55.44 o
3 5 0 1611.05 1645.74 35.38 o
4 5 0 4711.26 4733.64 72.73 o
5 5 0 696.19 730.12 30.26 o
6 5 0 5774.04 5937.58 95.42 o
7 5 0 6185.36 6522.19 125.51 o
8 5 0 117.51 94.50 30.20 o
9 5 0 1992.90 2093.48 90.81 o
10 5 0 699.63 724.82 59.39 o
11 5 0 93.73 103.25 41.97 o
0 6 0 28697.79 28670.37 309.67 o
1 6 0 1637.60 1631.41 32.87 o
2 6 0 6010.16 6088.69 72.00 o
3 6 0 5491.79 5247.65 83.63 o
4 6 0 82.09 88.65 12.80 o
5 6 0 7497.42 7709.08 107.26 o
6 6 0 4415.49 4461.57 82.96 o
7 6 0 1416.64 1460.69 48.96 o
8 6 0 6723.89 7030.67 163.13 o
9 6 0 745.23 745.68 57.55 o
10 6 0 1228.29 1295.57 106.06 o
11 6 0 1614.47 1551.12 163.29 o
1 7 0 6795.56 6796.59 79.46 o
2 7 0 3891.57 3916.80 55.74 o
3 7 0 210.17 242.26 21.29 o
4 7 0 2993.04 2969.60 73.12 o
5 7 0 1320.60 1331.45 54.53 o
6 7 0 3369.88 3369.56 115.76 o
7 7 0 5152.27 5290.50 134.81 o
8 7 0 133.45 166.98 35.97 o
9 7 0 1592.70 1742.09 86.05 o
10 7 0 566.02 651.27 114.19 o
0 8 0 20201.69 20229.02 254.81 o
1 8 0 1811.29 1742.18 38.43 o
2 8 0 6053.45 5978.93 92.77 o
3 8 0 5248.33 5347.98 77.61 o
4 8 0 68.60 88.75 16.36 o
5 8 0 5589.76 5830.57 122.39 o
6 8 0 3912.42 4244.90 108.61 o
7 8 0 1353.63 1437.42 110.78 o
8 8 0 5281.55 5584.65 224.49 o
9 8 0 447.32 481.06 164.51 o
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2 9 0 1677.58 1696.08 49.38 o
3 9 0 266.16 311.45 32.34 o
4 9 0 2781.69 2772.27 89.35 o
5 9 0 425.17 469.00 43.27 o
6 9 0 2740.89 2792.85 98.66 o
7 9 0 2567.50 2976.93 161.66 o
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3 12 0 2496.17 2672.26 97.78 o
4 12 0 42.86 47.17 38.86 o
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6 12 0 1609.15 1456.27 163.87 o
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2 13 0 1135.62 1072.45 75.27 o
3 13 0 356.06 419.75 51.81 o
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5 13 0 349.46 384.81 62.59 o
1 14 0 382.54 287.22 55.82 o
2 14 0 1695.41 1719.00 96.68 o
3 14 0 1303.13 1189.70 83.80 o
4 14 0 107.39 95.05 43.24 o
5 14 0 1831.01 1829.09 183.04 o
3 15 0 70.20 110.58 56.73 o
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-3 -14 1 95.07 143.78 39.28 o
-2 -14 1 2084.27 2515.55 116.29 o
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0 -14 1 472.38 480.56 55.34 o
1 -14 1 1407.14 1309.57 84.38 o
2 -14 1 267.12 216.93 44.14 o
3 -14 1 725.03 803.04 78.17 o
4 -14 1 1471.71 1644.99 136.19 o
5 -14 1 18.94 -32.07 52.06 o
-5 -13 1 707.08 661.72 75.99 o
-4 -13 1 646.39 626.66 70.62 o
-3 -13 1 3738.33 3832.23 139.14 o
-2 -13 1 240.16 336.61 45.24 o
-1 -13 1 3202.03 3314.66 126.38 o
0 -13 1 3015.21 3132.31 121.84 o
1 -13 1 227.23 234.90 53.03 o
2 -13 1 2231.85 2386.04 107.18 o
3 -13 1 1034.55 976.28 83.40 o
4 -13 1 829.15 768.15 64.42 o
5 -13 1 3995.45 4072.39 166.08 o
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-6 -12 1 165.66 91.43 42.85 o
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-4 -12 1 1256.50 1495.56 103.56 o
-3 -12 1 45.32 27.62 34.47 o
-2 -12 1 3392.23 3232.83 120.08 o
-1 -12 1 1521.79 1501.83 81.78 o
0 -12 1 845.24 763.85 59.76 o
1 -12 1 1533.67 1463.99 80.41 o
2 -12 1 368.51 335.88 44.21 o
3 -12 1 1311.36 1334.76 79.12 o
4 -12 1 2155.68 2084.37 98.76 o
5 -12 1 49.83 46.04 32.14 o
6 -12 1 2532.70 2637.27 115.67 o
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-8 -11 1 3053.95 2935.19 137.38 o
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-6 -11 1 2957.78 2922.63 144.46 o
-5 -11 1 1068.66 1076.88 69.58 o
-4 -11 1 1218.45 1175.30 70.31 o
-3 -11 1 5929.22 6047.89 182.87 o
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0 -11 1 4434.52 4441.21 132.30 o
1 -11 1 198.37 214.72 35.73 o
2 -11 1 2775.90 2719.33 139.40 o
3 -11 1 1436.33 1527.20 79.42 o
4 -11 1 1172.77 1189.30 60.35 o
5 -11 1 5247.76 5244.21 131.21 o
6 -11 1 287.84 263.45 53.44 o
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8 -11 1 1470.86 1378.11 177.27 o
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7 -10 1 453.04 442.53 57.68 o
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