#------------------------------------------------------------------------------
#$Date: 2023-12-20 05:03:28 +0200 (Wed, 20 Dec 2023) $
#$Revision: 288434 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/29/2022973.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_2022973
_cell_angle_alpha                90.000
_cell_angle_beta                 90.424
_cell_angle_gamma                90.000
_cell_length_a                   8.3107
_cell_length_b                   13.4820
_cell_length_c                   14.7591
_exptl_crystal_F_000             976.00
_reflns_d_resolution_high        0.7302
_cod_data_source_file            yz20444bsup10.hkl
_cod_data_source_block           4b
_shelx_title                     ' Kasuar in P2(1)/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            370.98
_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
1 0 0 305.36 338.13 30.39 o
2 0 0 127908.24 123749.86 1287.08 o
3 0 0 2702.10 2886.63 109.86 o
4 0 0 51649.14 52065.66 759.65 o
5 0 0 863.66 806.86 112.00 o
6 0 0 5716.79 5443.47 247.52 o
7 0 0 4892.16 5357.37 270.41 o
8 0 0 12558.89 13647.63 491.54 o
9 0 0 9003.72 10619.23 493.09 o
10 0 0 10331.87 11807.16 554.15 o
11 0 0 3671.88 4616.94 388.91 o
1 1 0 84474.20 90883.28 505.00 o
2 1 0 6733.29 6590.68 74.39 o
3 1 0 23067.08 22018.74 206.87 o
4 1 0 1880.67 1753.47 78.16 o
5 1 0 7381.75 7354.65 182.57 o
6 1 0 1848.60 1408.37 105.56 o
7 1 0 3690.05 3568.44 167.71 o
8 1 0 6248.61 6573.93 227.32 o
9 1 0 5432.53 5771.59 265.60 o
10 1 0 4759.35 5408.54 274.52 o
11 1 0 2912.76 3421.99 281.27 o
0 2 0 24406.81 27875.43 318.12 o
1 2 0 304.28 358.84 23.39 o
2 2 0 52343.86 54648.73 291.40 o
3 2 0 10497.57 10340.25 141.52 o
4 2 0 2148.63 2040.05 81.86 o
5 2 0 526.10 408.77 72.80 o
6 2 0 679.30 574.83 80.11 o
7 2 0 4853.89 4568.55 178.11 o
8 2 0 244.25 149.22 102.09 o
9 2 0 3720.40 3946.76 209.92 o
10 2 0 1098.18 1286.60 190.64 o
11 2 0 853.37 1020.73 186.52 o
1 3 0 19070.24 20420.79 135.12 o
2 3 0 13928.66 14221.21 133.45 o
3 3 0 3252.51 3205.53 76.28 o
4 3 0 4217.91 3817.91 86.77 o
5 3 0 47.94 30.58 48.58 o
6 3 0 257.24 185.45 68.08 o
7 3 0 664.05 460.48 81.88 o
8 3 0 1782.94 1670.01 149.67 o
9 3 0 107.67 61.78 119.79 o
10 3 0 127.58 14.65 123.16 o
11 3 0 616.80 937.89 286.15 o
0 4 0 448.29 515.66 42.22 o
1 4 0 13463.82 14824.57 137.95 o
2 4 0 584.40 653.00 35.54 o
3 4 0 14701.00 15158.40 218.22 o
4 4 0 4678.37 4357.83 99.86 o
5 4 0 4160.67 4233.45 126.34 o
6 4 0 6727.47 6724.64 208.94 o
7 4 0 563.94 351.46 94.46 o
8 4 0 2150.15 2006.14 162.98 o
9 4 0 61.82 -58.27 110.15 o
10 4 0 340.19 74.21 156.46 o
11 4 0 138.78 228.56 371.63 o
1 5 0 42770.20 45977.70 307.46 o
2 5 0 5056.95 4847.40 88.30 o
3 5 0 43850.05 43725.00 347.39 o
4 5 0 11804.31 11584.87 204.69 o
5 5 0 59032.77 59207.95 802.56 o
6 5 0 3154.16 2948.54 144.51 o
7 5 0 15992.08 16720.82 395.89 o
8 5 0 1084.06 1045.73 130.70 o
9 5 0 5703.71 6032.49 353.97 o
10 5 0 718.09 880.68 189.91 o
0 6 0 6809.03 6615.23 149.53 o
1 6 0 174.08 193.45 40.07 o
2 6 0 21017.86 21222.13 257.77 o
3 6 0 4423.83 4322.06 96.15 o
4 6 0 51563.59 52167.81 507.87 o
5 6 0 6220.89 6422.07 160.25 o
6 6 0 32890.46 33581.50 458.32 o
7 6 0 3271.02 3627.55 180.81 o
8 6 0 7711.92 7623.80 348.35 o
9 6 0 945.76 731.14 165.10 o
10 6 0 1460.01 1869.38 258.13 o
1 7 0 16917.37 17504.55 222.99 o
2 7 0 6200.88 6843.21 153.22 o
3 7 0 32931.61 32855.45 515.30 o
4 7 0 6525.81 6403.43 142.82 o
5 7 0 27359.08 27714.66 364.66 o
6 7 0 5287.01 5155.21 175.20 o
7 7 0 13394.92 13929.82 443.98 o
8 7 0 850.45 963.98 180.32 o
9 7 0 2349.25 2602.23 250.24 o
10 7 0 708.51 722.30 258.46 o
0 8 0 19707.58 20350.31 365.90 o
1 8 0 1403.95 1539.76 71.05 o
2 8 0 18387.22 18743.28 269.75 o
3 8 0 4909.28 4787.50 156.96 o
4 8 0 24716.87 24076.69 340.56 o
5 8 0 2030.12 2040.27 117.09 o
6 8 0 15813.72 16042.57 463.62 o
7 8 0 549.09 399.66 154.98 o
8 8 0 7647.18 7405.71 365.23 o
9 8 0 433.06 391.88 178.08 o
10 8 0 1378.57 1256.71 373.23 o
1 9 0 2207.15 2306.49 94.04 o
2 9 0 3796.70 3557.99 105.75 o
3 9 0 2333.81 2206.06 104.86 o
4 9 0 1252.67 1106.29 100.18 o
5 9 0 1936.90 1741.52 147.88 o
6 9 0 174.06 13.00 137.07 o
7 9 0 3967.41 3711.49 264.35 o
8 9 0 95.33 -149.16 158.67 o
9 9 0 1239.56 1276.23 205.56 o
0 10 0 10163.15 10364.01 269.24 o
1 10 0 1254.33 1325.92 80.30 o
2 10 0 3230.54 3282.47 118.24 o
3 10 0 998.20 1036.05 103.19 o
4 10 0 5688.29 5665.68 215.71 o
5 10 0 7.40 106.97 104.77 o
6 10 0 1101.31 841.55 151.25 o
7 10 0 800.16 938.02 185.93 o
8 10 0 540.03 451.13 160.77 o
9 10 0 968.20 1058.09 193.94 o
1 11 0 16918.92 17156.79 274.35 o
2 11 0 184.43 70.64 70.93 o
3 11 0 9573.18 9723.54 295.76 o
4 11 0 361.65 299.23 119.57 o
5 11 0 3877.98 3877.15 241.61 o
6 11 0 1419.29 1520.26 180.64 o
7 11 0 2500.41 2566.33 222.15 o
8 11 0 1453.22 1547.96 215.10 o
9 11 0 1098.60 1275.94 352.09 o
0 12 0 22268.35 23644.43 531.42 o
1 12 0 1556.12 1651.80 97.06 o
2 12 0 19855.92 20024.04 367.89 o
3 12 0 673.29 456.38 112.38 o
4 12 0 6288.16 6265.99 277.84 o
5 12 0 1332.37 1320.52 167.80 o
6 12 0 4997.94 4765.75 284.62 o
7 12 0 955.64 961.03 184.38 o
8 12 0 4225.64 4376.46 305.48 o
1 13 0 36952.82 37691.69 528.31 o
2 13 0 1328.29 1524.24 144.01 o
3 13 0 22078.60 22374.49 480.47 o
4 13 0 1897.82 1641.82 176.26 o
5 13 0 12188.44 11951.43 423.66 o
6 13 0 862.35 899.12 175.54 o
7 13 0 8003.47 8233.69 387.41 o
8 13 0 1544.22 2548.72 434.28 o
0 14 0 12241.94 11908.58 466.39 o
1 14 0 66.46 137.38 103.37 o
2 14 0 13363.14 13848.04 408.58 o
3 14 0 758.98 714.02 153.49 o
4 14 0 11839.71 11925.39 399.27 o
5 14 0 475.42 443.85 145.81 o
6 14 0 7036.14 7199.91 357.41 o
7 14 0 1242.99 1253.63 246.36 o
1 15 0 381.86 722.49 135.98 o
2 15 0 15.46 -4.07 153.89 o
3 15 0 2444.67 2562.87 242.14 o
4 15 0 117.95 237.63 219.57 o
5 15 0 1511.84 1302.38 196.97 o
6 15 0 715.48 344.21 195.74 o
0 16 0 1362.45 1667.34 220.98 o
1 16 0 3.18 -4.11 130.25 o
2 16 0 187.06 312.05 167.43 o
3 16 0 86.25 16.44 190.51 o
4 16 0 70.42 -26.17 181.66 o
5 16 0 4.41 -14.52 203.32 o
1 17 0 2997.94 3158.15 217.05 o
2 17 0 12.43 -117.90 176.23 o
3 17 0 1683.14 1336.38 271.34 o
4 17 0 7.64 609.01 293.74 o
0 18 0 11540.70 11812.91 541.64 o
1 18 0 119.32 179.51 178.09 o
2 18 0 12707.00 12320.88 649.92 o
-11 1 1 530.57 413.02 188.79 o
-10 1 1 2000.08 2061.33 190.73 o
-9 1 1 1799.62 1354.73 146.22 o
-8 1 1 2505.75 2614.38 152.77 o
-7 1 1 3068.90 2544.77 142.68 o
-6 1 1 4133.89 3950.58 150.43 o
-5 1 1 1471.49 1322.60 88.22 o
-4 1 1 8796.13 8615.73 158.24 o
-3 1 1 10473.04 10474.57 222.51 o
-2 1 1 20892.14 20099.37 158.61 o
-1 1 1 44355.75 44969.75 284.45 o
1 1 1 48441.07 49255.83 243.74 o
2 1 1 5942.01 6460.55 145.47 o
3 1 1 29668.92 29415.20 260.77 o
4 1 1 2836.05 2653.45 97.41 o
5 1 1 3353.90 3203.35 124.78 o
6 1 1 2497.68 2155.58 122.05 o
7 1 1 6247.06 6392.65 206.50 o
8 1 1 1539.37 1225.63 131.97 o
9 1 1 3188.80 3274.84 195.18 o
10 1 1 548.29 173.10 133.40 o
11 1 1 1686.68 2263.45 254.21 o
-11 2 1 1995.86 2232.82 317.61 o
-10 2 1 758.99 520.07 202.72 o
-9 2 1 4244.46 4998.15 243.35 o
-8 2 1 2294.26 2055.17 159.28 o
-7 2 1 9375.19 9652.16 246.13 o
-6 2 1 3330.73 2753.14 132.76 o
-5 2 1 20600.19 20311.84 287.27 o
-4 2 1 2497.77 2261.98 89.88 o
-3 2 1 33556.95 32197.03 276.43 o
-2 2 1 17934.64 18973.85 152.12 o
-1 2 1 27261.37 27850.13 159.48 o
0 2 1 4450.37 5210.81 65.17 o
1 2 1 23322.50 24984.98 211.14 o
2 2 1 29800.04 30138.15 191.14 o
3 2 1 17932.21 18193.67 229.48 o
4 2 1 8652.54 8705.85 155.98 o
5 2 1 16724.56 16427.94 248.69 o
6 2 1 10848.88 11305.06 255.28 o
7 2 1 4852.84 4544.27 189.03 o
8 2 1 6427.22 7126.38 248.93 o
9 2 1 1410.14 868.30 126.76 o
10 2 1 2749.74 3252.73 247.07 o
11 2 1 694.15 428.05 179.77 o
-11 3 1 694.73 464.75 246.38 o
-10 3 1 3942.70 4561.73 266.07 o
-9 3 1 1199.78 763.08 157.21 o
-8 3 1 11440.75 12776.83 355.18 o
-7 3 1 3637.11 3337.82 149.07 o
-6 3 1 24645.91 25460.59 350.66 o
-5 3 1 4652.02 3783.15 207.19 o
-4 3 1 39469.08 38191.93 452.16 o
-3 3 1 17061.97 17699.36 242.01 o
-2 3 1 40681.94 40372.95 280.15 o
-1 3 1 22638.69 26320.19 174.47 o
0 3 1 30890.63 32968.14 205.60 o
1 3 1 46152.07 45790.64 270.97 o
2 3 1 24820.89 26472.99 221.54 o
3 3 1 32757.19 32559.54 277.56 o
4 3 1 20588.44 20359.42 247.87 o
5 3 1 15386.56 15041.71 212.33 o
6 3 1 12200.18 12142.97 231.39 o
7 3 1 8111.79 8717.85 223.67 o
8 3 1 4340.24 3640.70 205.37 o
9 3 1 3972.97 4387.06 214.24 o
10 3 1 1235.79 878.02 161.92 o
11 3 1 2524.79 2941.28 367.73 o
-11 4 1 2019.03 2916.88 383.51 o
-10 4 1 1072.25 544.69 276.46 o
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-6 4 1 9043.10 7864.52 302.46 o
-5 4 1 28220.91 27567.42 341.15 o
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-3 4 1 24438.10 24234.66 256.69 o
-2 4 1 23897.01 28162.47 241.76 o
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0 4 1 30104.35 32845.60 220.08 o
1 4 1 18856.68 19434.13 176.29 o
2 4 1 59834.01 56547.51 707.47 o
3 4 1 22803.01 22428.57 236.57 o
4 4 1 51525.96 49825.92 424.30 o
5 4 1 13994.84 13089.62 326.31 o
6 4 1 21114.03 21413.70 343.70 o
7 4 1 6851.90 5960.14 208.96 o
8 4 1 7126.15 8160.94 267.72 o
9 4 1 1811.60 1286.04 177.93 o
10 4 1 3308.58 4413.08 292.73 o
11 4 1 562.30 324.47 477.92 o
-10 5 1 1045.70 1142.42 211.02 o
-9 5 1 302.85 502.38 237.97 o
-8 5 1 7226.72 7794.31 293.65 o
-7 5 1 1873.92 1702.80 153.61 o
-6 5 1 15922.01 15747.36 316.73 o
-5 5 1 7540.34 7105.29 214.37 o
-4 5 1 16183.79 15806.77 226.35 o
-3 5 1 8419.93 9172.89 226.82 o
-2 5 1 3115.41 3586.99 77.52 o
-1 5 1 4722.68 5258.54 86.44 o
0 5 1 3625.16 3960.10 76.54 o
1 5 1 9462.21 8823.76 114.89 o
2 5 1 8786.31 8356.53 127.55 o
3 5 1 23041.34 22040.28 259.96 o
4 5 1 14342.50 14019.06 222.20 o
5 5 1 17740.27 17529.18 257.81 o
6 5 1 6645.34 6478.90 207.34 o
7 5 1 3918.17 3806.93 170.70 o
8 5 1 2125.53 1550.12 165.08 o
9 5 1 694.68 529.22 165.93 o
10 5 1 288.63 62.18 157.31 o
-10 6 1 130.82 129.83 161.54 o
-9 6 1 128.04 -77.25 152.72 o
-8 6 1 187.14 145.49 172.65 o
-7 6 1 959.88 914.67 120.46 o
-6 6 1 22.58 92.80 64.38 o
-5 6 1 3477.12 3584.05 118.08 o
-4 6 1 3459.36 3342.39 103.95 o
-3 6 1 487.90 394.90 44.35 o
-2 6 1 4342.13 4049.80 83.38 o
-1 6 1 103.57 82.91 35.55 o
0 6 1 162.84 254.92 38.17 o
1 6 1 88.29 110.22 33.78 o
2 6 1 2070.84 2240.21 78.20 o
3 6 1 785.90 733.89 50.93 o
4 6 1 1675.55 1575.43 86.64 o
5 6 1 2903.49 2674.62 101.14 o
6 6 1 56.63 6.88 72.79 o
7 6 1 1530.39 1338.28 120.83 o
8 6 1 631.37 344.21 145.88 o
9 6 1 58.38 152.89 169.08 o
10 6 1 78.31 -128.48 160.13 o
-10 7 1 224.25 239.97 183.18 o
-9 7 1 1350.30 1551.48 237.76 o
-8 7 1 348.93 268.02 148.61 o
-7 7 1 673.90 516.10 144.86 o
-6 7 1 263.61 209.60 103.25 o
-5 7 1 473.51 513.08 66.77 o
-4 7 1 538.77 447.09 50.81 o
-3 7 1 5881.05 5252.77 129.23 o
-2 7 1 4464.81 4414.65 94.45 o
-1 7 1 372.14 458.02 61.34 o
0 7 1 19849.54 21243.32 221.94 o
1 7 1 1047.93 1068.82 60.17 o
2 7 1 6614.26 6421.71 135.16 o
3 7 1 1872.93 1709.26 97.93 o
4 7 1 494.65 404.94 56.99 o
5 7 1 483.59 400.86 64.70 o
6 7 1 909.65 1006.83 88.31 o
7 7 1 1803.36 2041.93 201.71 o
8 7 1 160.56 -22.40 221.17 o
9 7 1 1003.66 763.79 201.98 o
10 7 1 255.71 331.90 176.06 o
-10 8 1 1083.73 484.57 363.39 o
-9 8 1 3454.94 4134.08 345.45 o
-8 8 1 1887.90 1661.15 206.61 o
-7 8 1 4301.57 4247.12 348.32 o
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-5 8 1 5926.50 5703.30 149.49 o
-4 8 1 10140.22 9182.08 213.14 o
-3 8 1 9618.74 9754.39 218.20 o
-2 8 1 17768.31 16939.02 221.38 o
-1 8 1 29806.89 31364.01 323.84 o
0 8 1 2827.46 2954.09 103.99 o
1 8 1 29141.77 29261.88 309.15 o
2 8 1 6764.25 7714.16 191.21 o
3 8 1 9195.95 8933.37 189.70 o
4 8 1 5285.32 5319.00 221.32 o
5 8 1 1634.53 1346.53 151.87 o
6 8 1 6715.80 6630.21 266.48 o
7 8 1 1426.17 1413.47 195.46 o
8 8 1 3972.94 4071.73 274.65 o
9 8 1 1126.16 677.02 179.36 o
10 8 1 1841.37 1554.07 321.69 o
-9 9 1 2435.95 1921.96 238.63 o
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-7 9 1 5100.38 4197.72 277.71 o
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-4 9 1 9860.75 9809.01 238.39 o
-3 9 1 22908.24 22270.28 329.82 o
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-1 9 1 21974.51 21857.65 264.17 o
0 9 1 44463.52 45534.51 430.83 o
1 9 1 15810.00 16620.03 214.20 o
2 9 1 27484.21 27051.10 375.70 o
3 9 1 15650.59 15724.87 292.61 o
4 9 1 5445.22 5749.16 217.56 o
5 9 1 17028.41 16709.95 416.62 o
6 9 1 1466.76 1336.00 207.04 o
7 9 1 16776.58 17673.27 524.02 o
8 9 1 1476.61 1262.42 204.70 o
9 9 1 8836.42 10252.66 494.24 o
-9 10 1 4943.27 5903.11 337.70 o
-8 10 1 2928.18 2389.71 270.89 o
-7 10 1 3900.75 3753.89 251.50 o
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0 10 1 26554.96 27338.41 329.70 o
1 10 1 35072.52 37008.66 377.75 o
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3 12 1 1386.62 1501.71 139.44 o
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5 12 1 445.47 536.50 148.29 o
6 12 1 1496.80 1253.30 179.30 o
7 12 1 10.07 -79.37 187.18 o
8 12 1 2847.81 3095.36 273.91 o
-8 13 1 334.71 1014.66 398.09 o
-7 13 1 133.39 243.56 163.51 o
-6 13 1 1732.71 1526.44 194.93 o
-5 13 1 1258.35 882.60 189.53 o
-4 13 1 1391.58 1385.27 167.36 o
-3 13 1 3393.75 3563.09 200.38 o
-2 13 1 170.56 223.43 94.85 o
-1 13 1 745.74 846.46 110.51 o
0 13 1 1052.04 1174.67 107.20 o
1 13 1 1824.82 1911.96 124.42 o
2 13 1 242.34 308.30 110.03 o
3 13 1 2762.81 3138.94 209.90 o
4 13 1 882.37 620.28 141.31 o
5 13 1 514.11 508.07 154.88 o
6 13 1 1957.40 2009.84 219.68 o
7 13 1 60.68 237.40 169.73 o
8 13 1 177.67 -42.48 396.52 o
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-6 14 1 1062.91 822.02 180.19 o
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1 14 1 334.79 381.23 104.62 o
2 14 1 14316.14 13854.49 408.57 o
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