#------------------------------------------------------------------------------
#$Date: 2020-10-10 08:20:42 +0300 (Sat, 10 Oct 2020) $
#$Revision: 258296 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/22/2022262.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_2022262
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   7.4469
_cell_length_b                   27.9271
_cell_length_c                   14.3092
_exptl_crystal_F_000             1928.00
_reflns_d_resolution_high        0.7698
_cod_data_source_file            dv3003Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' k11297 in C222(1)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            720.26
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x, -y, -z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -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 518776.78 574747.19 20669.45 o
4 0 0 3176.45 3128.59 230.15 o
6 0 0 37201.23 39851.64 1808.61 o
8 0 0 33900.86 37872.38 3162.01 o
1 1 0 10726.55 11693.76 675.96 o
3 1 0 25018.34 26052.18 641.67 o
5 1 0 4644.60 3964.67 214.61 o
7 1 0 3.17 333.28 634.08 o
9 1 0 1311.23 3186.29 864.80 o
2 2 0 52392.25 53799.65 1249.71 o
4 2 0 382.33 534.95 184.50 o
6 2 0 20556.21 20462.50 538.90 o
8 2 0 21729.16 24194.29 1350.78 o
1 3 0 63658.17 65466.42 929.04 o
3 3 0 141719.27 146528.39 2125.78 o
5 3 0 46220.86 48716.72 1611.14 o
7 3 0 172.71 23.63 277.16 o
9 3 0 9543.69 9894.35 1129.96 o
0 4 0 7186.64 7447.79 262.28 o
2 4 0 11728.61 11780.53 253.45 o
4 4 0 5844.64 5248.67 259.29 o
6 4 0 854.97 1135.18 402.65 o
8 4 0 1262.40 1550.69 921.67 o
1 5 0 48439.19 49545.14 791.30 o
3 5 0 129788.02 130173.98 1930.43 o
5 5 0 58683.46 61748.30 1398.68 o
7 5 0 872.65 451.00 329.07 o
9 5 0 8890.81 11273.29 2047.82 o
0 6 0 113472.84 116289.95 2793.20 o
2 6 0 67949.47 68047.08 999.28 o
4 6 0 6331.86 5876.43 329.91 o
6 6 0 48408.06 46969.98 1461.98 o
8 6 0 15133.35 16002.50 1294.80 o
1 7 0 6500.37 6596.65 195.70 o
3 7 0 9508.13 9655.74 350.68 o
5 7 0 12099.99 11178.48 442.94 o
7 7 0 1563.15 1345.37 375.42 o
9 7 0 1292.83 2972.69 1186.40 o
0 8 0 115030.09 118562.50 2844.65 o
2 8 0 150148.27 153236.19 2115.90 o
4 8 0 615.85 539.19 156.79 o
6 8 0 81427.33 82949.31 2085.13 o
8 8 0 30820.03 31336.58 1318.09 o
1 9 0 352.51 306.20 85.89 o
3 9 0 25601.81 26577.22 526.29 o
5 9 0 21597.25 20524.01 748.57 o
7 9 0 8.98 480.75 647.08 o
9 9 0 993.87 331.21 1541.08 o
0 10 0 50932.95 52166.31 1914.68 o
2 10 0 31696.29 30994.11 870.87 o
4 10 0 2272.52 1979.88 159.75 o
6 10 0 23301.17 22459.36 952.92 o
8 10 0 8569.70 8182.07 739.30 o
1 11 0 3328.70 3101.22 159.64 o
3 11 0 109894.52 111317.75 1764.05 o
5 11 0 64508.96 65850.28 1079.38 o
7 11 0 58.21 -508.48 558.32 o
9 11 0 4819.81 3955.37 1721.53 o
0 12 0 3187.28 2846.08 388.34 o
2 12 0 3641.34 3644.24 202.07 o
4 12 0 410.87 515.46 152.85 o
6 12 0 43.55 -318.90 319.37 o
8 12 0 915.53 1542.83 610.42 o
1 13 0 32837.76 34026.90 839.70 o
3 13 0 158508.03 165162.94 2651.80 o
5 13 0 44164.35 44755.42 893.09 o
7 13 0 15.59 748.26 447.90 o
9 13 0 2560.51 5705.93 2150.87 o
0 14 0 105522.37 109099.38 3562.83 o
2 14 0 28100.55 27594.57 695.33 o
4 14 0 1696.36 1633.40 245.02 o
6 14 0 18246.15 17306.09 1000.70 o
8 14 0 12152.70 12232.14 1290.40 o
1 15 0 2489.95 3629.46 286.09 o
3 15 0 29290.11 30960.04 763.86 o
5 15 0 5208.03 5418.88 346.60 o
7 15 0 206.42 -408.90 501.71 o
0 16 0 200421.81 212308.58 6331.25 o
2 16 0 46841.67 48789.41 1067.66 o
4 16 0 4901.01 4635.73 298.49 o
6 16 0 26810.96 27117.31 1182.06 o
8 16 0 17265.33 17681.76 1046.95 o
1 17 0 25572.25 26405.32 867.24 o
3 17 0 18654.37 18670.21 1111.62 o
5 17 0 1575.93 2365.97 364.80 o
7 17 0 425.31 204.59 753.53 o
0 18 0 53240.71 57284.22 2191.95 o
2 18 0 19265.01 19292.99 591.78 o
4 18 0 1058.83 642.75 232.73 o
6 18 0 13093.60 13106.81 550.59 o
8 18 0 6446.00 8796.89 1173.73 o
1 19 0 36885.31 38942.12 1136.80 o
3 19 0 60992.14 62933.08 1416.06 o
5 19 0 18422.25 18284.55 837.14 o
7 19 0 500.34 636.91 767.09 o
0 20 0 2098.29 3498.46 469.79 o
2 20 0 6.05 395.59 348.93 o
4 20 0 1061.11 925.36 469.49 o
6 20 0 831.44 537.95 489.68 o
8 20 0 528.79 855.93 3755.21 o
1 21 0 15749.37 15807.53 649.47 o
3 21 0 40332.09 41520.54 2074.81 o
5 21 0 26042.74 26480.32 998.63 o
7 21 0 627.67 903.36 1004.38 o
0 22 0 71784.80 76131.65 2901.33 o
2 22 0 20612.65 20800.70 775.70 o
4 22 0 948.48 848.66 399.93 o
6 22 0 12095.39 12400.32 1775.39 o
1 23 0 1765.87 968.00 455.35 o
3 23 0 2693.57 1871.89 1015.48 o
5 23 0 4865.54 4243.37 852.62 o
7 23 0 984.75 2519.56 2817.71 o
0 24 0 55948.43 57360.67 2600.96 o
2 24 0 23778.02 22818.94 1031.65 o
4 24 0 26.48 -471.94 471.94 o
6 24 0 14171.54 15356.22 3412.98 o
1 25 0 218.95 -801.73 801.73 o
3 25 0 5642.37 4765.68 759.85 o
5 25 0 6194.46 6279.28 869.43 o
7 25 0 101.88 495.72 1447.74 o
0 26 0 25262.46 25874.78 2099.02 o
2 26 0 4583.66 4703.36 1666.56 o
4 26 0 742.26 734.33 731.73 o
6 26 0 4178.76 4204.31 2315.77 o
1 27 0 2649.35 848.89 1114.85 o
3 27 0 26476.31 28661.61 2034.26 o
5 27 0 15541.71 18892.00 1886.42 o
0 28 0 575.28 1215.44 920.91 o
2 28 0 2929.54 3109.14 1001.81 o
4 28 0 206.70 427.83 709.65 o
6 28 0 613.31 1727.75 1491.30 o
1 29 0 4869.19 5804.13 832.62 o
3 29 0 24038.00 23298.52 1626.79 o
5 29 0 8164.81 7624.50 1806.57 o
0 30 0 12365.57 15137.01 1798.27 o
2 30 0 7794.39 6528.78 1922.72 o
4 30 0 342.64 -392.64 968.89 o
1 31 0 304.90 -932.22 1833.53 o
3 31 0 1711.30 3416.88 3104.97 o
5 31 0 342.12 -1595.01 1595.01 o
0 32 0 20232.82 21869.64 2671.48 o
2 32 0 8148.46 6754.68 1134.59 o
4 32 0 1532.58 -464.63 1240.33 o
1 33 0 2101.31 2511.59 1057.06 o
3 33 0 4005.98 3230.80 1994.28 o
0 34 0 2731.37 3040.68 1375.15 o
2 34 0 2473.86 3723.79 1085.39 o
1 35 0 2754.82 2230.08 1159.94 o
0 36 0 2085.07 1246.55 1453.97 o
2 0 1 182251.09 198650.30 3801.01 o
4 0 1 13598.72 13836.95 294.67 o
6 0 1 2415.62 2029.85 216.99 o
8 0 1 670.51 -1.19 853.18 o
-9 1 1 6282.12 7129.41 1017.46 o
-7 1 1 1478.77 1077.12 340.22 o
-5 1 1 28902.63 30938.32 609.95 o
-3 1 1 65957.98 68129.80 2542.65 o
-1 1 1 37236.67 38970.38 569.26 o
1 1 1 38195.18 39497.42 584.95 o
3 1 1 73803.06 79513.21 1910.49 o
5 1 1 28088.13 28760.98 632.83 o
7 1 1 1406.74 1696.46 602.31 o
9 1 1 6317.14 8695.34 1140.92 o
-8 2 1 7809.00 8657.26 920.23 o
-6 2 1 22653.55 23830.68 965.15 o
-4 2 1 17224.34 18379.17 415.21 o
-2 2 1 74269.73 79427.80 1948.85 o
2 2 1 62616.74 65429.23 1269.85 o
4 2 1 12847.97 13375.09 317.76 o
6 2 1 26183.91 29005.54 1330.64 o
8 2 1 7513.15 8307.85 1760.92 o
-9 3 1 3069.52 3891.46 1038.04 o
-7 3 1 10215.55 9454.13 436.74 o
-5 3 1 16810.33 16249.00 508.92 o
-3 3 1 23071.51 22607.02 737.27 o
-1 3 1 59608.62 62705.84 1019.52 o
1 3 1 66726.91 69823.17 1166.01 o
3 3 1 24755.53 24990.89 453.14 o
5 3 1 16038.94 15938.87 399.69 o
7 3 1 9284.76 8137.66 784.76 o
9 3 1 3184.31 3439.62 963.57 o
-8 4 1 18765.41 19497.33 1188.61 o
-6 4 1 33890.02 36017.27 1405.85 o
-4 4 1 2988.36 2663.34 243.10 o
-2 4 1 91926.80 92007.75 1264.94 o
0 4 1 290220.25 292364.72 5447.30 o
2 4 1 99412.96 101560.39 1372.12 o
4 4 1 2127.08 2042.57 167.08 o
6 4 1 41734.04 45345.63 1187.21 o
8 4 1 18012.76 19200.01 1719.18 o
-9 5 1 2615.37 3239.14 852.05 o
-7 5 1 12970.10 11727.49 756.72 o
-5 5 1 11143.70 10456.66 421.90 o
-3 5 1 36269.78 35987.08 569.87 o
-1 5 1 76828.77 78483.55 1498.01 o
1 5 1 77626.68 79174.45 1360.18 o
3 5 1 33441.77 30730.48 1559.24 o
5 5 1 13629.14 13090.41 300.65 o
7 5 1 12839.55 13007.03 813.70 o
9 5 1 2981.69 3110.08 1413.08 o
-8 6 1 13965.46 13651.55 2063.64 o
-6 6 1 20716.21 20950.28 769.97 o
-4 6 1 33153.18 32806.65 720.10 o
-2 6 1 19699.07 19147.41 355.42 o
0 6 1 31690.17 31832.06 839.29 o
2 6 1 16675.17 16122.53 339.89 o
4 6 1 32637.03 31921.60 709.22 o
6 6 1 24261.57 23919.61 910.06 o
8 6 1 13606.72 14894.83 1069.51 o
-9 7 1 3840.26 3154.80 1038.93 o
-7 7 1 3527.76 3279.58 530.30 o
-5 7 1 46871.79 46533.49 1316.90 o
-3 7 1 99745.80 101157.95 1610.79 o
-1 7 1 18455.20 18198.18 386.10 o
1 7 1 13688.51 13240.20 377.83 o
3 7 1 98812.88 99514.17 1413.66 o
5 7 1 50022.61 50953.46 895.51 o
7 7 1 3530.69 3214.68 724.68 o
9 7 1 3991.32 4996.61 1260.78 o
-8 8 1 1863.48 882.38 483.87 o
-6 8 1 7203.63 5971.42 410.89 o
-4 8 1 63561.02 62400.13 889.46 o
-2 8 1 6951.12 6145.31 174.18 o
0 8 1 12586.41 13434.73 504.88 o
2 8 1 4055.42 3820.02 145.22 o
4 8 1 64568.14 64341.65 1028.87 o
6 8 1 7911.56 6078.66 404.48 o
8 8 1 1424.98 1657.31 536.80 o
-9 9 1 4130.12 6305.36 2132.21 o
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-5 9 1 40736.19 39677.60 1209.06 o
-3 9 1 103901.22 106138.45 1853.86 o
-1 9 1 11148.69 11248.07 303.32 o
1 9 1 17878.76 18227.29 453.73 o
3 9 1 91338.94 93084.88 1454.53 o
5 9 1 42293.58 42388.15 954.81 o
7 9 1 2492.35 2099.15 504.21 o
9 9 1 4109.81 3798.95 2792.82 o
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-4 10 1 25082.56 23556.14 507.65 o
-2 10 1 52235.10 52272.29 945.89 o
0 10 1 94814.77 100241.02 1998.62 o
2 10 1 57065.65 58337.79 1263.35 o
4 10 1 25993.36 25576.06 484.59 o
6 10 1 21468.44 21028.71 783.09 o
8 10 1 9085.45 9884.61 727.89 o
-9 11 1 2305.29 2188.21 1862.57 o
-7 11 1 9876.48 9450.24 1275.64 o
-5 11 1 14237.09 13591.08 467.13 o
-3 11 1 37923.06 37940.93 949.36 o
-1 11 1 44032.41 44606.78 910.26 o
1 11 1 47016.70 49073.64 1096.30 o
3 11 1 35151.78 35097.53 660.81 o
5 11 1 14716.48 14063.93 697.39 o
7 11 1 10445.11 9522.99 718.77 o
9 11 1 2219.76 2343.22 1266.71 o
-8 12 1 12914.15 14111.01 1018.47 o
-6 12 1 32734.43 31825.29 1196.38 o
-4 12 1 3796.87 3151.23 210.99 o
-2 12 1 35658.37 33550.48 686.38 o
0 12 1 83967.94 83370.42 1788.17 o
2 12 1 37560.10 36624.82 930.00 o
4 12 1 3798.67 3691.00 270.08 o
6 12 1 29632.79 29272.08 637.60 o
8 12 1 13511.47 14321.61 2070.18 o
-7 13 1 5349.55 5212.93 671.50 o
-5 13 1 27169.98 27275.76 870.42 o
-3 13 1 20595.37 20763.21 541.81 o
-1 13 1 48097.00 48415.12 1032.78 o
1 13 1 47844.28 47062.55 1178.99 o
3 13 1 21272.74 21192.44 794.24 o
5 13 1 25095.66 24527.25 930.75 o
7 13 1 5930.88 5654.08 902.96 o
9 13 1 2249.50 -1321.44 1321.44 o
-8 14 1 4624.58 6082.23 801.60 o
-6 14 1 15719.61 16910.39 1033.32 o
-4 14 1 12823.10 13118.08 808.42 o
-2 14 1 12648.04 11730.07 354.53 o
0 14 1 5923.22 5124.11 859.20 o
2 14 1 19563.00 19863.82 494.86 o
4 14 1 16754.54 17057.50 619.70 o
6 14 1 15283.89 14860.55 508.09 o
8 14 1 4725.73 5244.80 666.27 o
-7 15 1 279.64 132.21 1048.28 o
-5 15 1 34285.03 33552.72 1041.33 o
-3 15 1 81350.59 82497.73 1442.73 o
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1 15 1 33601.19 34635.29 975.04 o
3 15 1 81818.93 86309.06 1455.56 o
5 15 1 30590.89 30151.27 912.67 o
7 15 1 631.31 277.87 603.36 o
-8 16 1 710.07 1710.62 814.49 o
-6 16 1 1289.18 1117.84 204.40 o
-4 16 1 13783.39 12787.96 440.02 o
-2 16 1 30084.93 29477.17 689.55 o
0 16 1 1199.50 4860.69 1543.46 o
2 16 1 28834.04 27991.70 682.54 o
4 16 1 13899.81 13188.86 413.68 o
6 16 1 1188.46 855.80 438.14 o
8 16 1 903.48 1061.54 578.52 o
-7 17 1 1697.75 943.77 671.67 o
-5 17 1 23156.30 23065.72 723.73 o
-3 17 1 56683.03 58307.65 1192.70 o
-1 17 1 40038.53 40987.69 926.60 o
1 17 1 37092.76 39183.23 1011.39 o
3 17 1 67165.36 71363.27 1303.85 o
5 17 1 22138.24 23063.34 732.21 o
7 17 1 1322.91 259.97 634.68 o
-8 18 1 4626.38 5589.20 1904.05 o
-6 18 1 9253.41 9983.64 1001.48 o
-4 18 1 7057.16 7380.48 381.81 o
-2 18 1 20268.31 19867.68 604.51 o
0 18 1 67546.70 70225.26 1851.57 o
2 18 1 21139.32 21183.93 699.35 o
4 18 1 6146.97 6044.65 340.78 o
6 18 1 8961.58 9122.36 749.13 o
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5 19 1 4914.08 4803.09 435.87 o
7 19 1 5137.28 5519.45 902.62 o
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-1 21 1 17181.33 17885.53 689.21 o
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3 21 1 11793.53 12885.44 691.84 o
5 21 1 5286.78 4968.12 551.27 o
7 21 1 7732.95 8474.94 1192.27 o
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-4 22 1 5256.27 5444.04 720.60 o
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6 28 1 7103.16 7583.02 1974.57 o
-5 29 1 4560.93 4822.35 1595.01 o
-3 29 1 3344.95 3348.63 938.50 o
-1 29 1 6454.51 6877.01 1698.71 o
1 29 1 7263.45 6945.66 1429.08 o
3 29 1 3327.95 2842.99 886.42 o
5 29 1 4041.32 5747.14 2670.44 o
-4 30 1 4675.97 4662.85 1161.51 o
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0 30 1 8274.48 9150.58 1857.38 o
2 30 1 3967.32 3316.64 1040.18 o
4 30 1 4925.31 3912.60 988.47 o
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-1 31 1 3969.33 2543.02 798.91 o
1 31 1 4357.19 4048.38 1329.52 o
3 31 1 13528.52 11772.99 1526.52 o
-4 32 1 4823.54 5664.05 1705.97 o
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