#------------------------------------------------------------------------------
#$Date: 2022-10-01 05:02:04 +0300 (Sat, 01 Oct 2022) $
#$Revision: 278296 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/41/2244189.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_2244189
_cell_angle_alpha                90.000
_cell_angle_beta                 106.477
_cell_angle_gamma                90.000
_cell_length_a                   7.0532
_cell_length_b                   21.3776
_cell_length_c                   11.1181
_exptl_crystal_F_000             832.00
_reflns_d_resolution_high        0.7392
_cod_data_source_file            zl50235sup6.hkl
_cod_data_source_block           5
_shelx_title                     ' ot329a_a.res in Cc'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            387.47
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, 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
3 1 -15 615.44 554.45 123.69 o
0 0 -14 577.09 727.40 178.05 o
2 0 -14 314.74 182.61 112.61 o
4 0 -14 1202.54 1326.82 238.92 o
1 1 -14 1758.79 1599.33 291.42 o
3 1 -14 247.94 218.04 90.88 o
5 1 -14 741.75 639.36 131.23 o
0 2 -14 181.85 144.17 83.70 o
2 2 -14 34.70 132.26 75.30 o
4 2 -14 140.26 66.21 78.53 o
1 3 -14 787.18 721.12 124.94 o
3 3 -14 392.73 262.85 93.54 o
5 3 -14 672.43 633.54 133.22 o
0 4 -14 1040.23 1300.95 234.35 o
2 4 -14 215.77 76.09 108.05 o
4 4 -14 456.70 453.51 113.52 o
1 5 -14 350.59 321.09 138.48 o
3 5 -14 175.85 178.05 126.31 o
5 5 -14 260.49 112.47 89.91 o
0 6 -14 997.84 1113.78 219.13 o
2 6 -14 244.20 47.17 111.09 o
4 6 -14 1588.52 1027.04 219.13 o
1 7 -14 1229.11 1257.48 364.46 o
3 7 -14 1060.51 751.75 187.18 o
2 8 -14 364.07 220.12 87.46 o
4 8 -14 688.92 677.18 210.00 o
1 9 -14 1088.07 1169.44 149.92 o
3 9 -14 164.68 175.81 96.63 o
2 10 -14 704.39 628.01 122.75 o
-1 1 -13 29.96 51.18 67.19 o
1 1 -13 1825.85 1822.09 280.77 o
3 1 -13 988.79 1057.95 138.24 o
5 1 -13 341.50 178.28 85.50 o
-2 2 -13 113.36 73.36 72.76 o
0 2 -13 1045.55 902.66 131.05 o
2 2 -13 1222.02 1190.61 143.01 o
4 2 -13 1600.48 1526.63 167.61 o
6 2 -13 1587.64 1141.18 157.64 o
-1 3 -13 145.25 55.95 69.92 o
1 3 -13 2126.33 2366.21 335.47 o
3 3 -13 1532.22 1324.11 153.27 o
5 3 -13 143.84 151.51 86.06 o
-2 4 -13 443.11 166.65 84.42 o
0 4 -13 685.86 515.88 149.13 o
2 4 -13 225.43 162.94 76.80 o
4 4 -13 941.82 879.33 181.01 o
6 4 -13 111.38 91.73 87.92 o
-1 5 -13 547.81 583.19 138.48 o
1 5 -13 1171.00 1165.51 192.50 o
3 5 -13 1494.78 1398.94 152.66 o
5 5 -13 812.34 751.95 129.38 o
0 6 -13 493.85 383.15 91.21 o
2 6 -13 166.44 164.81 91.74 o
4 6 -13 2103.25 1907.27 211.53 o
6 6 -13 938.27 1011.87 149.56 o
-1 7 -13 572.34 548.48 111.75 o
1 7 -13 92.28 124.78 70.18 o
3 7 -13 390.71 395.66 146.09 o
5 7 -13 244.27 77.61 127.83 o
0 8 -13 1426.86 1522.70 170.08 o
2 8 -13 1458.24 1533.11 142.70 o
4 8 -13 1670.43 1342.04 240.44 o
6 8 -13 565.60 321.09 164.35 o
-1 9 -13 652.63 596.06 115.82 o
1 9 -13 651.91 691.21 118.29 o
3 9 -13 1057.97 1008.78 206.96 o
5 9 -13 922.84 733.49 203.92 o
0 10 -13 818.70 776.17 100.10 o
2 10 -13 643.64 694.95 123.17 o
4 10 -13 771.03 439.79 173.48 o
1 11 -13 532.49 508.24 93.62 o
3 11 -13 451.67 341.04 96.83 o
5 11 -13 622.78 727.40 213.05 o
0 12 -13 949.81 1119.04 121.48 o
2 12 -13 2254.21 2252.69 204.68 o
4 12 -13 391.97 392.31 109.73 o
1 13 -13 782.72 940.16 114.01 o
3 13 -13 325.19 348.93 101.63 o
2 14 -13 667.20 795.77 108.41 o
-2 0 -12 1130.83 1149.08 146.09 o
0 0 -12 2877.38 3136.05 272.40 o
2 0 -12 3222.43 3160.40 267.83 o
4 0 -12 1768.83 1507.91 223.70 o
6 0 -12 1467.28 1460.74 237.39 o
-3 1 -12 1305.33 1119.42 102.79 o
-1 1 -12 119.12 105.98 50.77 o
1 1 -12 1552.22 1897.31 160.28 o
3 1 -12 789.08 743.34 111.80 o
5 1 -12 519.62 682.65 132.32 o
7 1 -12 1040.56 1024.33 157.51 o
-2 2 -12 68.56 60.74 45.89 o
0 2 -12 228.31 259.30 100.44 o
2 2 -12 498.11 399.23 88.16 o
4 2 -12 2053.25 2183.95 242.65 o
6 2 -12 661.62 526.34 119.69 o
-3 3 -12 832.28 824.49 103.99 o
-1 3 -12 599.63 728.05 92.76 o
1 3 -12 2429.23 2220.71 159.77 o
3 3 -12 2304.51 2619.15 177.97 o
5 3 -12 962.38 1082.76 146.85 o
7 3 -12 1070.15 928.74 148.68 o
-2 4 -12 1205.53 1363.59 246.53 o
0 4 -12 1945.52 1911.31 125.29 o
2 4 -12 1961.23 2148.69 158.14 o
4 4 -12 1316.18 1419.08 157.73 o
6 4 -12 1986.94 1924.84 187.86 o
-3 5 -12 59.63 102.82 57.96 o
-1 5 -12 84.33 27.24 55.41 o
1 5 -12 456.39 567.70 99.53 o
3 5 -12 704.15 674.41 105.39 o
5 5 -12 402.60 423.13 101.39 o
7 5 -12 265.15 216.03 104.91 o
-2 6 -12 1671.38 1621.78 172.64 o
0 6 -12 2965.64 3103.41 149.97 o
2 6 -12 210.76 229.79 103.48 o
4 6 -12 2991.15 2995.90 196.35 o
6 6 -12 477.35 587.10 118.37 o
-1 7 -12 1978.31 1958.09 295.98 o
1 7 -12 640.51 670.00 78.11 o
3 7 -12 3397.37 3776.71 313.48 o
5 7 -12 1351.86 1324.43 157.31 o
7 7 -12 755.34 605.39 134.39 o
-2 8 -12 513.57 411.36 101.80 o
0 8 -12 639.76 615.03 79.19 o
2 8 -12 74.99 2.58 49.03 o
4 8 -12 922.49 596.53 165.87 o
6 8 -12 752.63 663.97 128.60 o
-1 9 -12 808.31 845.58 127.43 o
1 9 -12 1073.47 1331.14 107.05 o
3 9 -12 722.84 998.12 194.79 o
5 9 -12 212.61 140.00 129.35 o
-2 10 -12 2643.10 2573.00 201.08 o
0 10 -12 2907.15 3235.69 130.17 o
2 10 -12 179.13 110.31 51.94 o
4 10 -12 1335.99 1580.96 258.70 o
6 10 -12 777.77 815.51 203.92 o
-1 11 -12 328.00 313.64 69.27 o
1 11 -12 588.14 498.41 134.41 o
3 11 -12 959.98 954.56 132.34 o
5 11 -12 91.32 100.44 136.96 o
0 12 -12 612.49 623.75 77.56 o
2 12 -12 1083.77 1206.81 115.66 o
4 12 -12 333.20 263.21 118.70 o
6 12 -12 354.05 319.57 168.92 o
-1 13 -12 147.60 229.14 59.15 o
1 13 -12 997.68 879.76 106.05 o
3 13 -12 902.88 885.86 126.48 o
5 13 -12 772.51 665.32 127.23 o
0 14 -12 989.75 987.53 96.56 o
2 14 -12 619.42 619.41 93.57 o
4 14 -12 858.98 738.35 128.87 o
1 15 -12 754.55 799.48 135.38 o
3 15 -12 626.53 586.74 153.33 o
0 16 -12 94.08 135.49 66.73 o
2 16 -12 1205.30 1166.96 125.89 o
4 16 -12 1071.25 1081.73 147.29 o
1 17 -12 2281.10 2378.62 370.18 o
3 17 -12 861.73 849.22 112.98 o
-3 1 -11 2719.01 2627.91 179.16 o
-1 1 -11 847.26 895.47 76.58 o
1 1 -11 2175.51 2074.71 147.93 o
3 1 -11 3523.82 3543.13 192.07 o
5 1 -11 202.11 224.01 77.45 o
7 1 -11 666.50 664.51 126.94 o
-4 2 -11 1142.88 1215.70 147.95 o
-2 2 -11 1755.57 1703.64 113.56 o
0 2 -11 4018.16 4124.66 165.97 o
2 2 -11 3275.26 3179.04 231.31 o
4 2 -11 214.01 313.79 82.97 o
6 2 -11 1902.80 2114.64 195.70 o
8 2 -11 500.43 454.87 124.36 o
-3 3 -11 1321.77 1413.48 150.84 o
-1 3 -11 301.28 285.04 49.11 o
1 3 -11 1882.91 1911.40 124.44 o
3 3 -11 3503.35 3528.75 192.97 o
5 3 -11 473.54 365.20 89.53 o
7 3 -11 916.19 729.26 131.56 o
-4 4 -11 295.27 257.22 68.98 o
-2 4 -11 331.75 260.90 61.11 o
0 4 -11 2331.58 2271.29 103.58 o
2 4 -11 767.57 674.39 98.84 o
4 4 -11 821.40 752.93 184.82 o
6 4 -11 942.36 1099.93 147.61 o
8 4 -11 143.74 118.37 203.92 o
-3 5 -11 1248.97 1254.72 114.68 o
-1 5 -11 2244.74 2177.86 156.56 o
1 5 -11 3211.40 2812.52 125.58 o
3 5 -11 4008.40 4213.01 527.21 o
5 5 -11 3515.75 3548.11 208.54 o
7 5 -11 467.08 360.39 110.90 o
-2 6 -11 1297.04 1144.15 99.77 o
0 6 -11 3898.31 3702.47 144.73 o
2 6 -11 737.65 753.74 103.03 o
4 6 -11 3408.29 3305.67 192.79 o
6 6 -11 808.15 1049.80 145.30 o
-3 7 -11 58.10 66.39 52.43 o
-1 7 -11 446.51 532.96 96.84 o
1 7 -11 768.56 792.26 76.47 o
3 7 -11 210.92 249.37 72.34 o
5 7 -11 996.67 884.18 125.45 o
7 7 -11 302.83 279.04 100.40 o
-2 8 -11 347.83 364.53 61.06 o
0 8 -11 2813.45 2895.04 113.77 o
2 8 -11 681.73 613.31 142.28 o
4 8 -11 3471.79 3379.56 208.55 o
6 8 -11 2094.88 1947.99 189.05 o
-3 9 -11 554.04 519.47 72.91 o
-1 9 -11 2104.09 2224.54 94.94 o
1 9 -11 714.93 827.66 80.67 o
3 9 -11 3134.16 3321.70 287.61 o
5 9 -11 2522.88 2405.60 298.27 o
7 9 -11 4.81 24.62 95.87 o
-2 10 -11 978.82 840.95 84.82 o
0 10 -11 1872.57 1860.26 99.73 o
2 10 -11 1059.56 969.73 89.27 o
4 10 -11 804.79 874.86 187.18 o
6 10 -11 374.18 336.31 158.26 o
-3 11 -11 840.69 750.90 102.00 o
-1 11 -11 430.64 422.81 54.44 o
1 11 -11 1439.52 1456.60 109.96 o
3 11 -11 1065.23 1177.04 109.44 o
5 11 -11 744.92 745.66 187.18 o
7 11 -11 695.61 520.44 194.79 o
-2 12 -11 573.28 475.76 70.62 o
0 12 -11 1556.46 1499.70 102.17 o
2 12 -11 1721.06 1912.75 171.76 o
4 12 -11 615.61 476.72 100.18 o
6 12 -11 2054.41 1766.61 278.48 o
-1 13 -11 467.08 443.06 59.51 o
1 13 -11 287.29 205.53 72.07 o
3 13 -11 1182.27 1280.88 110.93 o
5 13 -11 267.77 148.38 120.22 o
-2 14 -11 405.84 315.50 66.83 o
0 14 -11 104.80 227.27 54.60 o
2 14 -11 1364.09 1295.75 118.43 o
4 14 -11 599.10 485.74 106.30 o
6 14 -11 386.77 379.25 112.61 o
-1 15 -11 891.02 821.00 88.08 o
1 15 -11 2580.21 2785.51 158.41 o
3 15 -11 2819.13 2797.51 173.41 o
5 15 -11 458.98 421.09 117.18 o
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4 16 -11 634.92 542.96 90.84 o
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3 17 -11 376.30 415.13 85.62 o
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0 18 -11 1758.83 1860.05 209.30 o
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4 18 -11 495.13 265.64 84.28 o
1 19 -11 900.95 844.54 119.04 o
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-2 0 -10 3846.39 4047.43 272.40 o
0 0 -10 163.02 348.90 66.17 o
2 0 -10 5418.73 5313.54 337.83 o
4 0 -10 1000.05 1335.96 197.83 o
6 0 -10 2220.60 2147.06 248.05 o
8 0 -10 762.40 713.71 182.61 o
-5 1 -10 8.78 17.72 46.33 o
-3 1 -10 1594.15 1596.22 120.94 o
-1 1 -10 915.82 949.50 77.12 o
1 1 -10 1490.10 1478.48 95.08 o
3 1 -10 2356.30 2480.53 153.59 o
5 1 -10 6.19 2.06 51.52 o
7 1 -10 932.54 902.07 135.02 o
-4 2 -10 132.07 95.23 43.83 o
-2 2 -10 212.74 218.91 43.51 o
0 2 -10 302.56 363.31 45.96 o
2 2 -10 315.97 374.44 116.41 o
4 2 -10 248.79 352.67 84.46 o
6 2 -10 23.24 -57.00 57.00 o
8 2 -10 11.19 20.02 82.06 o
-3 3 -10 3063.43 3265.67 153.69 o
-1 3 -10 4399.02 4268.99 142.47 o
1 3 -10 1389.37 1239.75 99.28 o
3 3 -10 3707.29 3945.06 193.37 o
5 3 -10 504.16 556.16 171.20 o
7 3 -10 532.66 441.42 110.27 o
-4 4 -10 1335.44 1348.88 121.00 o
-2 4 -10 674.23 623.67 64.08 o
0 4 -10 6325.75 6162.15 163.47 o
2 4 -10 5108.65 5500.55 226.43 o
4 4 -10 229.14 137.30 61.97 o
6 4 -10 2793.75 2855.91 194.54 o
8 4 -10 809.10 763.17 140.35 o
-3 5 -10 813.86 731.67 86.51 o
-1 5 -10 275.16 262.06 33.11 o
1 5 -10 56.36 87.28 32.91 o
3 5 -10 83.01 101.76 54.33 o
5 5 -10 104.41 87.16 66.30 o
7 5 -10 126.49 110.13 81.44 o
-4 6 -10 212.37 220.45 66.97 o
-2 6 -10 1723.64 1729.13 95.14 o
0 6 -10 3617.33 3674.19 117.56 o
2 6 -10 814.95 790.99 101.03 o
4 6 -10 2801.36 2807.71 170.72 o
6 6 -10 1871.71 1926.94 265.55 o
8 6 -10 133.09 115.72 97.72 o
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-1 7 -10 4191.29 4025.03 117.51 o
1 7 -10 4122.92 4102.18 143.79 o
3 7 -10 2550.70 2628.08 158.98 o
5 7 -10 1034.44 1154.08 260.98 o
7 7 -10 677.58 490.55 127.07 o
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-2 8 -10 56.63 38.41 33.47 o
0 8 -10 4000.10 4038.55 191.51 o
2 8 -10 3554.60 3418.39 181.99 o
4 8 -10 2241.58 2119.75 154.38 o
6 8 -10 1007.66 1100.35 146.30 o
8 8 -10 97.13 57.35 94.31 o
-3 9 -10 488.97 451.69 62.35 o
-1 9 -10 246.83 256.01 40.61 o
1 9 -10 1089.22 1309.39 158.37 o
3 9 -10 1547.63 1645.37 150.23 o
5 9 -10 5.15 -53.48 59.80 o
7 9 -10 822.36 576.85 121.98 o
-4 10 -10 643.79 538.24 74.73 o
-2 10 -10 1056.26 999.95 92.68 o
0 10 -10 3171.23 3284.71 138.98 o
2 10 -10 1672.76 1678.03 167.37 o
4 10 -10 2459.58 2489.30 252.61 o
6 10 -10 804.03 709.28 123.03 o
-3 11 -10 1018.32 1092.83 107.64 o
-1 11 -10 1750.96 1789.78 100.04 o
1 11 -10 641.64 754.40 75.45 o
3 11 -10 461.88 427.97 72.66 o
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-2 12 -10 1404.30 1265.28 84.30 o
0 12 -10 350.75 420.10 63.19 o
2 12 -10 226.81 330.02 61.48 o
4 12 -10 65.87 46.14 69.92 o
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1 13 -10 2250.26 2153.08 119.98 o
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7 13 -10 1113.43 1281.17 249.57 o
-2 14 -10 1113.05 940.51 83.86 o
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2 14 -10 2807.13 2607.10 148.90 o
4 14 -10 1543.82 1573.37 126.58 o
6 14 -10 385.34 450.67 110.42 o
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-1 15 -10 264.03 225.90 56.15 o
1 15 -10 1111.12 1045.39 97.09 o
3 15 -10 2462.50 2338.54 134.57 o
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-2 16 -10 1397.69 1269.39 93.65 o
0 16 -10 96.00 198.15 62.07 o
2 16 -10 893.94 690.98 85.81 o
4 16 -10 1302.77 1360.17 125.21 o
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2 18 -10 1450.11 1580.00 135.28 o
4 18 -10 146.15 169.14 70.56 o
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1 19 -10 1774.23 1934.01 149.82 o
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3 5 -9 2586.36 2558.09 154.85 o
5 5 -9 5123.99 5052.60 308.08 o
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-4 6 -9 2114.45 2069.43 98.94 o
-2 6 -9 1061.59 1055.18 70.85 o
0 6 -9 632.03 613.24 53.85 o
2 6 -9 3170.53 3208.93 131.13 o
4 6 -9 1125.22 1153.35 212.29 o
6 6 -9 1828.62 2003.14 167.66 o
8 6 -9 148.66 145.32 119.46 o
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-3 7 -9 95.37 104.01 45.87 o
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1 7 -9 656.50 702.87 62.36 o
3 7 -9 641.39 609.38 69.90 o
5 7 -9 1182.03 1282.81 138.19 o
7 7 -9 130.09 203.03 87.74 o
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2 8 -9 6129.18 5871.33 190.06 o
4 8 -9 569.38 549.07 106.52 o
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