#------------------------------------------------------------------------------
#$Date: 2022-09-28 04:57:05 +0300 (Wed, 28 Sep 2022) $
#$Revision: 278236 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/41/2244181.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_2244181
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   10.0322
_cell_length_b                   12.0784
_cell_length_c                   12.9412
_exptl_crystal_F_000             944.00
_reflns_d_resolution_high        0.8098
_cod_data_source_file            zl5036Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' gvsu217c_a.res in P2(1)2(1)2(1)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            351.14
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -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
2 0 0 18076.56 17301.56 481.39 o
4 0 0 13310.57 13590.50 407.67 o
6 0 0 30817.26 31242.02 898.19 o
8 0 0 3289.13 3126.43 216.94 o
10 0 0 4006.84 4480.61 298.72 o
12 0 0 1981.69 2108.69 215.59 o
1 1 0 38726.69 40007.11 924.75 o
2 1 0 183.90 172.32 16.67 o
3 1 0 6192.90 6378.58 133.32 o
4 1 0 15468.18 15752.26 304.01 o
5 1 0 35844.69 36313.06 720.91 o
6 1 0 100.32 22.31 13.79 o
7 1 0 6231.69 6046.03 188.52 o
8 1 0 1118.35 819.45 87.25 o
9 1 0 24.89 3.13 32.13 o
10 1 0 1826.45 1891.49 132.52 o
11 1 0 2851.38 2901.94 173.63 o
12 1 0 55.92 73.76 52.12 o
0 2 0 13897.94 14644.18 347.77 o
1 2 0 18936.37 19811.69 382.93 o
2 2 0 22612.63 24083.30 467.47 o
3 2 0 26240.81 27236.70 590.80 o
4 2 0 20057.47 21083.90 476.81 o
5 2 0 11822.95 11865.72 243.25 o
6 2 0 18277.77 18559.91 446.34 o
7 2 0 3053.60 2724.81 113.75 o
8 2 0 817.56 780.25 76.74 o
9 2 0 12337.23 12083.47 391.61 o
10 2 0 761.75 704.08 95.31 o
11 2 0 368.48 344.35 74.54 o
12 2 0 1797.88 2164.60 157.97 o
1 3 0 3506.71 3442.87 82.39 o
2 3 0 33104.36 34120.61 658.40 o
3 3 0 131.36 128.23 14.78 o
4 3 0 34127.41 33545.42 732.60 o
5 3 0 3310.41 3158.47 112.82 o
6 3 0 592.77 486.86 42.22 o
7 3 0 723.91 658.75 56.65 o
8 3 0 10734.18 10957.61 309.64 o
9 3 0 321.35 352.28 67.08 o
10 3 0 6885.51 6814.05 274.12 o
11 3 0 93.45 66.80 52.36 o
12 3 0 3.69 29.08 58.33 o
0 4 0 522.46 451.71 58.55 o
1 4 0 11817.22 12100.17 273.84 o
2 4 0 122.29 134.50 16.26 o
3 4 0 48441.73 49932.64 963.18 o
4 4 0 345.63 335.67 17.72 o
5 4 0 8063.78 8284.72 203.97 o
6 4 0 953.08 938.96 62.44 o
7 4 0 5750.89 5384.54 181.19 o
8 4 0 1715.67 1737.21 112.48 o
9 4 0 9377.92 9239.01 324.53 o
10 4 0 93.38 85.09 44.55 o
11 4 0 1233.13 1284.64 145.89 o
1 5 0 8021.47 8530.80 188.33 o
2 5 0 37456.75 38791.77 756.68 o
3 5 0 2882.22 2822.20 91.66 o
4 5 0 19417.93 18864.94 394.50 o
5 5 0 6103.20 6385.76 168.38 o
6 5 0 539.17 492.00 44.64 o
7 5 0 2480.64 2635.66 105.47 o
8 5 0 8079.16 8748.92 304.55 o
9 5 0 200.54 152.40 50.69 o
10 5 0 2914.63 2919.09 203.93 o
11 5 0 1957.07 1985.19 173.79 o
0 6 0 12022.39 11484.72 304.79 o
1 6 0 944.56 825.88 39.17 o
2 6 0 8232.47 7966.71 185.67 o
3 6 0 11825.41 12261.65 271.07 o
4 6 0 2126.60 2177.24 75.99 o
5 6 0 457.89 316.81 41.30 o
6 6 0 15934.42 15933.32 402.07 o
7 6 0 1357.17 1420.32 102.47 o
8 6 0 4556.18 4460.94 199.42 o
9 6 0 2365.78 2349.70 146.67 o
10 6 0 482.59 333.11 86.11 o
11 6 0 395.24 388.29 98.15 o
1 7 0 17716.57 18409.16 356.71 o
2 7 0 83.82 98.83 20.23 o
3 7 0 100.35 128.60 22.09 o
4 7 0 5.58 11.36 20.74 o
5 7 0 10751.83 9787.01 308.18 o
6 7 0 427.71 385.56 60.79 o
7 7 0 15231.45 15391.68 462.86 o
8 7 0 816.28 740.08 92.04 o
9 7 0 40.72 33.96 41.57 o
10 7 0 41.04 -16.44 48.80 o
0 8 0 15902.05 16614.19 505.54 o
1 8 0 1349.82 1297.32 53.51 o
2 8 0 7330.04 7009.19 182.13 o
3 8 0 2945.73 3122.71 117.37 o
4 8 0 5084.43 4776.56 183.38 o
5 8 0 15.81 1.78 23.78 o
6 8 0 12845.11 12752.82 396.09 o
7 8 0 103.76 49.63 37.18 o
8 8 0 2479.62 2187.76 141.11 o
9 8 0 325.52 197.57 63.43 o
10 8 0 640.86 512.80 91.62 o
1 9 0 11475.85 11054.79 262.27 o
2 9 0 10791.90 10820.09 286.64 o
3 9 0 6.01 10.02 19.78 o
4 9 0 4457.96 4510.80 182.88 o
5 9 0 1675.62 1646.00 106.77 o
6 9 0 328.92 241.94 55.22 o
7 9 0 3596.04 3845.64 190.49 o
8 9 0 2083.28 2142.52 145.70 o
9 9 0 131.72 51.57 46.46 o
0 10 0 1147.94 942.35 104.99 o
1 10 0 2055.21 2032.78 96.65 o
2 10 0 275.10 349.24 47.79 o
3 10 0 13269.10 14123.55 368.77 o
4 10 0 300.40 208.08 49.85 o
5 10 0 1759.80 1767.76 114.99 o
6 10 0 1396.76 1373.81 108.56 o
7 10 0 1163.86 1141.54 107.47 o
8 10 0 233.93 190.27 61.82 o
9 10 0 2259.23 2391.81 191.79 o
1 11 0 285.16 256.43 52.44 o
2 11 0 11689.46 12358.31 373.47 o
3 11 0 105.94 101.41 43.98 o
4 11 0 4283.59 4219.23 166.30 o
5 11 0 119.11 79.06 42.18 o
6 11 0 0.40 -7.16 35.00 o
7 11 0 17.69 23.58 44.13 o
8 11 0 3889.59 4405.42 261.42 o
0 12 0 1447.46 1259.38 136.87 o
1 12 0 1875.90 1684.58 110.89 o
2 12 0 1515.61 1845.95 114.64 o
3 12 0 6106.82 5855.08 228.23 o
4 12 0 645.45 666.95 82.39 o
5 12 0 490.68 359.83 69.38 o
6 12 0 1185.38 1107.08 95.89 o
7 12 0 1213.55 1286.07 142.61 o
1 13 0 2298.90 2379.51 139.39 o
2 13 0 2016.07 1986.73 146.16 o
3 13 0 210.15 144.88 51.52 o
4 13 0 3218.90 3181.42 169.06 o
5 13 0 1590.92 1658.65 128.13 o
6 13 0 343.51 226.77 81.80 o
0 14 0 7396.68 7800.24 413.19 o
1 14 0 370.65 430.10 86.72 o
2 14 0 1596.34 1373.10 152.46 o
3 14 0 19.59 2.68 42.17 o
4 14 0 592.39 520.96 86.81 o
1 0 1 41623.18 43229.56 999.66 o
2 0 1 98.08 76.64 11.73 o
3 0 1 41378.57 41936.53 749.71 o
4 0 1 503.06 468.33 26.84 o
5 0 1 14111.41 13760.72 278.56 o
6 0 1 8.11 11.45 13.87 o
7 0 1 5209.12 5169.31 199.06 o
8 0 1 44.23 26.09 30.56 o
9 0 1 19356.32 20291.45 584.01 o
10 0 1 2.00 4.61 35.75 o
11 0 1 1188.91 964.45 109.23 o
12 0 1 10.48 3.98 45.35 o
-12 1 1 61.17 7.75 46.20 o
-11 1 1 1638.43 1822.33 133.84 o
-10 1 1 8291.57 8744.46 322.44 o
-9 1 1 359.39 339.69 66.49 o
-8 1 1 9175.43 8875.03 300.04 o
-7 1 1 2653.50 2471.97 106.57 o
-6 1 1 9.89 23.63 14.97 o
-5 1 1 13331.86 13765.21 300.52 o
-4 1 1 38835.92 39611.61 768.18 o
-3 1 1 2243.46 2318.35 64.65 o
-2 1 1 22993.39 23557.96 641.61 o
-1 1 1 5640.58 5877.20 129.08 o
0 1 1 114.15 82.16 15.64 o
1 1 1 5004.89 5393.44 105.98 o
2 1 1 32720.37 31872.02 746.33 o
3 1 1 2036.87 2068.71 67.92 o
4 1 1 38733.59 39040.40 711.54 o
5 1 1 13447.86 13886.78 279.44 o
6 1 1 17.69 30.01 13.98 o
7 1 1 2815.17 2665.97 109.24 o
8 1 1 8910.31 8710.25 298.72 o
9 1 1 306.14 234.92 73.87 o
10 1 1 8700.76 8928.22 324.67 o
11 1 1 1402.22 1297.01 117.38 o
12 1 1 65.75 32.62 46.02 o
-12 2 1 1349.93 1088.30 121.49 o
-11 2 1 733.12 818.48 104.24 o
-10 2 1 2043.60 1960.99 134.24 o
-9 2 1 7175.58 7335.80 274.21 o
-8 2 1 2466.89 2514.72 137.23 o
-7 2 1 1078.41 1020.35 67.18 o
-6 2 1 16843.99 17065.60 408.05 o
-5 2 1 13746.06 13966.35 343.97 o
-4 2 1 3934.55 4126.97 129.95 o
-3 2 1 30538.64 31767.41 796.86 o
-2 2 1 635.48 584.42 32.93 o
-1 2 1 2371.97 2305.31 99.16 o
0 2 1 48090.20 49494.01 863.55 o
1 2 1 2135.20 1919.17 50.07 o
2 2 1 398.58 384.16 18.17 o
3 2 1 33052.85 34059.79 644.91 o
4 2 1 4726.96 4774.18 117.05 o
5 2 1 14237.77 14343.87 308.42 o
6 2 1 15886.46 16281.66 369.29 o
7 2 1 1051.53 1099.34 63.39 o
8 2 1 2724.45 2668.83 139.87 o
9 2 1 7064.94 7135.17 272.03 o
10 2 1 2014.44 1912.29 219.57 o
11 2 1 720.76 626.52 92.71 o
12 2 1 1438.30 1298.18 124.56 o
-12 3 1 5.47 25.48 48.67 o
-11 3 1 3285.03 3505.39 194.65 o
-10 3 1 640.85 588.90 88.88 o
-9 3 1 295.93 183.99 53.15 o
-8 3 1 2140.32 2132.81 107.28 o
-7 3 1 12611.32 12674.19 328.42 o
-6 3 1 1317.74 1163.24 74.82 o
-5 3 1 28867.79 29599.30 652.99 o
-4 3 1 273.57 316.44 31.10 o
-3 3 1 2024.88 2061.52 62.11 o
-2 3 1 494.13 442.90 29.73 o
-1 3 1 86817.85 87435.49 2009.95 o
0 3 1 55.50 49.56 20.08 o
1 3 1 87106.52 87179.51 1800.53 o
2 3 1 177.95 234.63 19.76 o
3 3 1 1979.25 2038.59 59.29 o
5 3 1 27699.56 28653.93 542.42 o
6 3 1 1491.98 1409.44 74.15 o
7 3 1 11632.91 11757.64 325.76 o
8 3 1 2189.00 2272.29 175.58 o
9 3 1 289.78 243.15 57.44 o
10 3 1 631.32 589.39 88.69 o
11 3 1 3593.59 3937.81 239.30 o
12 3 1 16.71 1.22 55.35 o
-11 4 1 26.11 35.42 44.80 o
-10 4 1 2189.77 2179.79 153.03 o
-9 4 1 63.08 69.12 41.64 o
-8 4 1 2793.71 2654.06 122.14 o
-7 4 1 74.91 7.66 22.55 o
-6 4 1 25189.59 25305.36 579.65 o
-5 4 1 27.62 34.36 19.45 o
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0 4 1 60919.11 61980.32 1019.15 o
1 4 1 4141.26 4241.99 151.56 o
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5 4 1 66.36 97.32 21.55 o
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7 4 1 99.57 88.92 26.25 o
8 4 1 2501.81 2388.60 117.44 o
9 4 1 106.40 66.69 49.14 o
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3 5 1 1105.02 1130.86 52.82 o
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5 5 1 15622.17 15420.48 337.57 o
6 5 1 1160.00 1097.93 60.54 o
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8 5 1 2060.72 1896.79 106.46 o
9 5 1 73.74 15.81 35.91 o
10 5 1 1504.26 1514.85 150.34 o
11 5 1 1715.52 1690.37 165.21 o
-11 6 1 752.20 660.07 122.96 o
-10 6 1 253.96 145.65 71.21 o
-9 6 1 5139.39 5149.37 224.75 o
-8 6 1 97.79 80.62 42.40 o
-7 6 1 3553.56 3450.66 140.77 o
-6 6 1 3627.41 3394.14 153.87 o
-5 6 1 3298.66 2960.67 135.73 o
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-1 6 1 10290.52 10395.37 212.95 o
0 6 1 12711.71 12987.14 256.51 o
1 6 1 10457.16 10428.66 229.93 o
2 6 1 8289.24 8526.09 195.90 o
3 6 1 29979.59 30603.88 606.69 o
4 6 1 4028.91 4315.20 123.23 o
5 6 1 3594.97 3377.36 121.80 o
6 6 1 3428.60 3429.59 132.72 o
7 6 1 3309.53 3427.62 144.40 o
8 6 1 39.21 45.74 35.58 o
9 6 1 4981.15 4967.41 223.62 o
10 6 1 254.56 253.73 82.70 o
11 6 1 724.30 581.80 189.88 o
-10 7 1 2109.55 1853.12 140.04 o
-9 7 1 244.42 222.39 61.89 o
-8 7 1 8737.64 9130.73 322.67 o
-7 7 1 248.40 220.61 54.42 o
-6 7 1 25.97 72.94 32.96 o
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-4 7 1 14040.80 14550.84 361.40 o
-3 7 1 1371.49 1392.90 70.63 o
-2 7 1 30563.85 31776.73 632.14 o
-1 7 1 725.32 624.13 34.01 o
0 7 1 228.90 158.20 21.00 o
1 7 1 700.17 651.93 41.48 o
2 7 1 30001.60 31165.24 585.24 o
3 7 1 1372.18 1446.23 83.35 o
4 7 1 14203.14 14551.27 360.07 o
5 7 1 44.15 43.32 22.69 o
6 7 1 26.84 42.15 30.19 o
7 7 1 254.80 199.15 51.37 o
8 7 1 8996.02 8986.57 322.36 o
9 7 1 182.68 124.18 54.85 o
10 7 1 1991.58 1819.63 206.44 o
-10 8 1 79.73 13.11 56.01 o
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-7 8 1 3571.41 3418.43 175.62 o
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2 8 1 1722.10 1777.76 65.71 o
3 8 1 29236.43 29826.22 616.33 o
4 8 1 88.79 91.17 32.09 o
5 8 1 1843.50 1709.08 102.98 o
6 8 1 997.50 912.56 83.73 o
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8 8 1 253.23 248.00 62.78 o
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10 8 1 96.76 75.24 59.99 o
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3 13 1 68.86 126.03 46.80 o
4 13 1 1944.09 1883.15 156.25 o
5 13 1 2336.30 2261.58 232.97 o
6 13 1 166.93 216.78 125.10 o
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3 0 2 2772.21 2411.20 77.86 o
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10 0 2 2767.17 3101.23 171.00 o
11 0 2 23.56 21.23 45.38 o
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