#------------------------------------------------------------------------------
#$Date: 2020-07-25 08:25:00 +0300 (Sat, 25 Jul 2020) $
#$Revision: 254583 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/35/2243510.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_2243510
_cell_angle_alpha                90.000
_cell_angle_beta                 101.202
_cell_angle_gamma                90.000
_cell_length_a                   7.1664
_cell_length_b                   15.5088
_cell_length_c                   11.6516
_exptl_crystal_F_000             888.00
_reflns_d_resolution_high        0.7700
_cod_data_source_file            cq2038Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' mg18017_a.res in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            327.35
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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 70725.99 73756.55 880.99 o
4 0 0 8231.73 8507.04 144.78 o
6 0 0 3389.04 3495.13 113.00 o
8 0 0 10935.46 11435.58 399.76 o
2 1 0 7402.50 7604.41 88.36 o
3 1 0 35082.01 36659.11 418.79 o
4 1 0 7656.90 7680.56 95.37 o
5 1 0 48.26 55.70 10.27 o
6 1 0 5899.04 5850.85 79.57 o
7 1 0 3741.97 3835.91 63.30 o
8 1 0 1886.68 1852.10 59.89 o
9 1 0 5861.04 6408.06 167.27 o
1 2 0 3485.93 3563.61 62.06 o
2 2 0 15483.24 15662.14 161.62 o
3 2 0 31498.48 31277.04 316.70 o
4 2 0 3724.97 3921.59 55.64 o
5 2 0 22182.08 22270.60 204.26 o
6 2 0 817.85 796.56 23.25 o
7 2 0 7544.03 7417.45 101.18 o
8 2 0 6663.72 6652.18 124.68 o
9 2 0 1421.54 1513.16 95.93 o
1 3 0 21883.61 23142.18 331.91 o
2 3 0 12741.33 12317.84 138.22 o
3 3 0 36.27 66.40 6.89 o
4 3 0 51773.38 52221.72 584.53 o
5 3 0 8.11 4.87 8.68 o
6 3 0 22729.36 22430.85 233.29 o
7 3 0 2203.87 2099.34 58.67 o
8 3 0 10574.18 10687.67 193.83 o
9 3 0 332.31 400.45 65.95 o
0 4 0 8320.79 8879.63 214.62 o
1 4 0 4671.18 4805.62 81.94 o
2 4 0 424.36 461.59 13.44 o
3 4 0 17981.96 17453.44 224.29 o
4 4 0 229.11 235.20 14.33 o
5 4 0 23315.86 23111.97 260.45 o
6 4 0 59.42 54.53 12.91 o
7 4 0 15878.98 15968.57 181.06 o
8 4 0 1175.89 918.23 74.26 o
1 5 0 13424.85 13774.75 210.01 o
2 5 0 7525.21 7753.90 109.45 o
3 5 0 6906.19 6860.33 124.67 o
4 5 0 39937.11 40787.09 468.23 o
5 5 0 4.67 25.30 11.80 o
6 5 0 11942.03 11744.02 139.44 o
7 5 0 889.93 807.39 33.31 o
8 5 0 3329.31 3349.37 91.40 o
0 6 0 73962.20 79448.78 1675.57 o
1 6 0 531.90 573.92 29.81 o
2 6 0 34322.84 36392.57 725.12 o
3 6 0 10849.00 11277.05 132.37 o
4 6 0 4853.36 4881.81 63.19 o
5 6 0 4921.43 4978.67 94.57 o
6 6 0 757.25 688.19 23.04 o
7 6 0 6014.18 5833.75 123.43 o
8 6 0 6256.96 6269.04 154.20 o
1 7 0 54273.59 54509.44 668.22 o
2 7 0 2.55 27.35 13.87 o
3 7 0 18827.28 18674.43 231.70 o
4 7 0 234.38 267.96 14.78 o
5 7 0 101.07 150.66 26.89 o
6 7 0 84.77 36.67 20.25 o
7 7 0 5216.84 4999.77 240.30 o
8 7 0 221.49 206.83 43.98 o
0 8 0 72909.17 79268.05 1660.31 o
1 8 0 752.62 698.42 27.24 o
2 8 0 30358.54 30836.38 426.74 o
3 8 0 971.98 968.93 28.93 o
4 8 0 3202.43 3080.52 71.93 o
5 8 0 1309.60 1269.00 34.05 o
6 8 0 819.29 811.16 35.35 o
7 8 0 1601.76 1565.34 53.49 o
8 8 0 5960.71 6054.58 153.86 o
1 9 0 39692.06 41565.33 566.67 o
2 9 0 8114.31 8189.64 122.25 o
3 9 0 8306.03 8578.11 129.80 o
4 9 0 16749.76 16546.33 180.80 o
5 9 0 27.24 39.65 20.40 o
6 9 0 8733.99 8692.54 160.59 o
7 9 0 2725.53 2524.66 122.97 o
8 9 0 3021.55 2906.88 136.38 o
0 10 0 9224.16 9495.82 243.23 o
1 10 0 6399.69 6595.77 127.05 o
2 10 0 1145.55 1111.98 29.49 o
3 10 0 14733.13 14805.21 279.74 o
4 10 0 1110.63 1093.58 29.00 o
5 10 0 20539.66 19857.60 308.02 o
6 10 0 128.11 79.35 27.31 o
7 10 0 12204.16 10706.45 410.04 o
1 11 0 491.39 498.40 31.87 o
2 11 0 5127.49 5280.94 80.24 o
3 11 0 138.98 158.42 18.05 o
4 11 0 21323.31 21290.37 270.23 o
5 11 0 138.01 134.78 25.59 o
6 11 0 13195.99 12964.46 233.51 o
7 11 0 29.66 45.85 42.00 o
0 12 0 8804.70 8563.17 208.99 o
1 12 0 1600.81 1676.38 53.79 o
2 12 0 11900.46 11716.66 167.09 o
3 12 0 9022.05 9135.88 133.85 o
4 12 0 1240.21 1232.23 49.42 o
5 12 0 9196.69 9302.60 142.94 o
6 12 0 24.27 29.10 41.66 o
7 12 0 6651.34 5937.89 260.53 o
1 13 0 12948.38 13288.74 210.52 o
2 13 0 594.32 648.60 28.63 o
3 13 0 8563.23 8819.16 147.29 o
4 13 0 3078.08 3042.02 69.52 o
5 13 0 19.61 14.64 22.80 o
6 13 0 2746.08 2718.13 107.73 o
0 14 0 19914.39 20761.06 470.27 o
1 14 0 8.89 19.02 18.55 o
2 14 0 7821.93 8346.11 137.53 o
3 14 0 96.90 85.45 26.70 o
4 14 0 2610.82 2616.99 71.51 o
5 14 0 369.44 304.03 37.36 o
6 14 0 465.83 537.63 60.83 o
1 15 0 22614.02 23341.86 298.61 o
2 15 0 588.55 637.42 33.31 o
3 15 0 8595.04 8670.39 220.22 o
4 15 0 1621.95 1572.26 46.97 o
5 15 0 166.88 126.54 41.39 o
6 15 0 2858.45 3047.73 120.45 o
0 16 0 10980.84 11447.06 292.66 o
1 16 0 1640.61 1732.59 45.99 o
2 16 0 6572.13 6459.81 115.90 o
3 16 0 3778.71 3778.52 125.41 o
4 16 0 833.59 722.41 111.69 o
5 16 0 5955.18 5961.43 178.90 o
1 17 0 1826.31 1948.46 54.61 o
2 17 0 5270.61 5502.77 100.76 o
3 17 0 928.81 697.02 92.18 o
4 17 0 9386.12 9778.75 299.78 o
0 18 0 12.46 36.73 42.11 o
1 18 0 2233.85 2305.38 74.87 o
2 18 0 63.05 77.33 31.60 o
3 18 0 6387.52 6427.44 174.48 o
4 18 0 62.32 90.93 54.61 o
1 19 0 2933.05 3155.02 114.50 o
2 19 0 1367.71 1257.11 65.45 o
3 19 0 1303.90 1297.28 100.32 o
0 20 0 6533.09 6648.43 228.97 o
1 20 0 238.71 278.48 58.78 o
-9 0 1 1133.73 1030.48 99.91 o
-7 0 1 27555.95 27736.32 531.01 o
-5 0 1 51237.12 53376.91 809.44 o
-3 0 1 70551.06 72803.54 1244.69 o
1 0 1 2243.64 2291.91 72.83 o
3 0 1 47091.60 47977.76 792.13 o
5 0 1 35316.18 36048.22 611.19 o
7 0 1 16789.33 17251.44 302.79 o
-9 1 1 1837.32 1719.69 86.08 o
-8 1 1 4217.44 4354.27 79.03 o
-7 1 1 3879.36 3805.22 85.10 o
-6 1 1 16527.23 16362.70 227.66 o
-5 1 1 262.12 275.67 14.50 o
-4 1 1 67779.26 70930.34 796.89 o
-3 1 1 4586.13 4732.98 63.37 o
-2 1 1 29092.07 30558.11 288.52 o
-1 1 1 24539.71 27821.46 825.55 o
1 1 1 3911.58 3855.91 64.16 o
2 1 1 10104.23 10377.62 145.92 o
3 1 1 9626.64 9627.86 103.96 o
4 1 1 40134.57 41410.61 447.82 o
5 1 1 511.41 539.10 16.60 o
6 1 1 17221.59 17308.75 200.07 o
7 1 1 290.31 263.59 18.73 o
8 1 1 7473.84 7543.75 175.43 o
-9 2 1 281.41 223.76 60.70 o
-8 2 1 5289.68 5349.54 82.89 o
-7 2 1 2905.29 2941.67 50.59 o
-6 2 1 814.67 824.04 29.54 o
-5 2 1 14696.71 14948.77 169.12 o
-4 2 1 4359.65 4683.50 65.65 o
-3 2 1 27095.04 27611.46 318.65 o
-2 2 1 30986.58 31313.34 294.88 o
-1 2 1 7626.31 7632.91 114.92 o
1 2 1 3865.44 4083.31 132.30 o
2 2 1 21465.34 21619.05 250.53 o
3 2 1 25552.72 25975.57 410.41 o
4 2 1 5973.07 5944.92 96.19 o
5 2 1 10835.00 10904.13 219.01 o
6 2 1 271.08 272.95 13.70 o
7 2 1 8806.90 8908.71 151.90 o
8 2 1 3859.55 3973.09 154.37 o
-9 3 1 6881.09 6933.01 280.59 o
-8 3 1 1020.28 1042.65 47.34 o
-7 3 1 5857.08 5915.00 83.88 o
-6 3 1 1345.00 1339.93 27.76 o
-5 3 1 13.50 12.31 10.19 o
-4 3 1 3099.88 2998.98 45.00 o
-3 3 1 12850.51 12887.72 178.10 o
-2 3 1 1051.44 996.78 33.32 o
-1 3 1 61080.37 60569.80 792.87 o
0 3 1 425.06 426.39 14.36 o
1 3 1 104687.53 107477.32 1180.07 o
2 3 1 1583.49 1667.71 32.82 o
3 3 1 37914.62 38818.25 561.15 o
4 3 1 6308.27 6402.50 92.16 o
5 3 1 1252.50 1375.24 32.98 o
6 3 1 579.85 525.51 37.59 o
7 3 1 3182.45 3172.27 81.57 o
8 3 1 49.16 101.37 37.17 o
-9 4 1 2.70 -19.36 56.23 o
-8 4 1 13205.95 12965.09 319.43 o
-7 4 1 230.63 244.93 22.57 o
-6 4 1 1346.26 1328.52 27.82 o
-5 4 1 792.22 801.47 24.04 o
-4 4 1 2903.58 2904.43 46.94 o
-3 4 1 499.29 451.37 16.31 o
-2 4 1 16206.50 16083.11 179.05 o
-1 4 1 1211.27 1317.48 25.71 o
0 4 1 75596.66 77306.48 2130.21 o
1 4 1 68.31 64.22 7.06 o
2 4 1 16132.65 15562.88 246.45 o
3 4 1 899.71 1066.91 40.11 o
4 4 1 10951.64 11043.30 170.44 o
5 4 1 1318.79 1216.45 55.79 o
6 4 1 174.16 145.10 19.61 o
7 4 1 1684.66 1648.92 58.65 o
8 4 1 3379.71 3364.59 113.99 o
-8 5 1 1904.38 1829.84 82.18 o
-7 5 1 4383.19 4424.19 91.51 o
-6 5 1 6219.82 6022.75 84.05 o
-5 5 1 2.66 17.29 12.29 o
-4 5 1 9347.06 9080.62 123.50 o
-3 5 1 15196.55 15852.14 179.34 o
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-1 5 1 28826.37 29377.06 362.57 o
0 5 1 2150.22 2228.60 53.81 o
1 5 1 22481.94 22120.97 364.40 o
2 5 1 345.93 331.58 18.45 o
3 5 1 8672.31 8178.42 149.03 o
4 5 1 12786.43 12655.69 194.66 o
5 5 1 328.91 326.06 20.03 o
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7 5 1 1522.30 1446.73 61.06 o
8 5 1 1016.64 1048.56 68.15 o
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3 7 1 137.78 156.74 12.86 o
4 7 1 27525.71 26355.17 310.76 o
5 7 1 299.68 225.63 24.34 o
6 7 1 20880.79 19087.57 680.49 o
7 7 1 42.64 29.58 39.22 o
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0 8 1 5546.36 5793.63 197.48 o
1 8 1 3109.34 3159.10 99.55 o
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3 8 1 21805.04 21923.06 322.60 o
4 8 1 1388.98 1358.23 34.34 o
5 8 1 25986.17 25523.37 327.53 o
6 8 1 29.78 25.43 21.01 o
7 8 1 12796.03 12420.64 269.41 o
8 8 1 389.88 389.91 49.06 o
-8 9 1 2115.60 1946.07 158.84 o
-7 9 1 1969.58 2065.95 98.70 o
-6 9 1 9565.83 9442.77 146.42 o
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-3 9 1 8059.45 8062.80 131.04 o
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0 9 1 488.10 500.93 41.46 o
1 9 1 31260.44 32124.98 573.39 o
2 9 1 4764.10 4735.14 74.76 o
3 9 1 21757.33 21902.85 293.40 o
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7 9 1 550.35 420.42 69.79 o
8 9 1 3759.82 3675.27 136.21 o
-8 10 1 7552.12 6626.89 299.87 o
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-6 10 1 1495.84 1519.45 59.32 o
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1 10 1 66.95 77.00 29.71 o
2 10 1 20028.70 21067.62 300.73 o
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5 10 1 1318.92 1277.76 42.23 o
6 10 1 46.37 36.48 24.84 o
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-7 11 1 3649.42 3267.12 113.94 o
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0 11 1 175.88 161.91 18.72 o
1 11 1 22819.61 23367.63 379.50 o
2 11 1 506.48 575.18 25.12 o
3 11 1 11683.75 11950.59 191.74 o
4 11 1 26.28 31.55 15.18 o
5 11 1 802.12 830.63 36.06 o
6 11 1 519.69 514.81 36.24 o
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0 0 2 34446.39 36009.26 612.71 o
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