#------------------------------------------------------------------------------
#$Date: 2020-04-08 08:38:47 +0300 (Wed, 08 Apr 2020) $
#$Revision: 250495 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/1/55/77/1557752.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_1557752
_cell_angle_alpha                90.000
_cell_angle_beta                 94.400
_cell_angle_gamma                90.000
_cell_length_a                   8.7612
_cell_length_b                   13.1852
_cell_length_c                   16.4458
_exptl_crystal_F_000             1320.00
_reflns_d_resolution_high        0.8263
_cod_data_source_file            wm4128Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' TA4CU1   STADI  RT'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            409.42
_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
2 0 0 18500.85 19475.43 143.86 o
3 0 0 20805.51 21165.42 185.02 o
4 0 0 27614.22 28178.82 248.50 o
5 0 0 26926.15 26006.07 269.81 o
6 0 0 1909.51 1946.14 87.23 o
7 0 0 3556.74 3545.16 124.06 o
8 0 0 694.10 624.52 70.49 o
9 0 0 3648.59 3602.13 155.14 o
10 0 0 2351.17 2160.63 132.08 o
1 1 0 38146.96 38036.68 167.94 o
2 1 0 4494.66 4669.79 74.09 o
3 1 0 358.28 410.17 37.31 o
4 1 0 31778.13 33901.88 272.73 o
5 1 0 1051.61 1121.09 62.95 o
6 1 0 8666.59 8948.35 178.01 o
7 1 0 3510.74 3406.70 123.86 o
8 1 0 6883.53 6798.95 186.28 o
9 1 0 1301.50 1157.82 92.68 o
10 1 0 444.68 285.91 74.68 o
0 2 0 8288.66 7284.13 71.90 o
1 2 0 14692.20 14617.26 113.31 o
2 2 0 14232.98 15018.86 138.55 o
3 2 0 15.91 107.03 26.42 o
4 2 0 31586.72 32027.21 269.13 o
5 2 0 8587.63 8463.55 157.53 o
6 2 0 1541.59 1564.62 81.20 o
7 2 0 3123.28 3316.50 122.79 o
8 2 0 65.70 24.62 48.02 o
9 2 0 1103.13 1217.51 96.33 o
10 2 0 847.56 746.92 91.70 o
1 3 0 177.53 244.37 27.00 o
2 3 0 1765.25 1836.09 57.02 o
3 3 0 1427.95 1521.28 58.48 o
4 3 0 7709.78 7558.47 136.85 o
5 3 0 39788.98 38915.05 340.60 o
6 3 0 12917.76 13742.34 223.21 o
7 3 0 7540.53 7795.83 185.50 o
8 3 0 376.56 429.53 63.44 o
9 3 0 1021.93 1114.61 93.21 o
10 3 0 2.09 149.74 59.16 o
0 4 0 42565.52 38880.07 235.32 o
1 4 0 3438.49 3218.72 71.71 o
2 4 0 6701.42 6906.17 111.51 o
3 4 0 29633.96 28626.79 246.61 o
4 4 0 18343.92 17783.73 214.59 o
5 4 0 852.12 974.16 62.22 o
6 4 0 158.62 116.56 40.67 o
7 4 0 90.33 185.79 45.88 o
8 4 0 6624.83 6062.93 184.72 o
9 4 0 3299.62 3208.01 149.31 o
10 4 0 658.49 571.78 88.01 o
1 5 0 1356.06 1350.66 53.66 o
2 5 0 27885.99 27619.74 237.75 o
3 5 0 7565.30 7637.28 137.19 o
4 5 0 7904.87 7958.18 153.39 o
5 5 0 42.80 57.36 35.66 o
6 5 0 1408.32 1428.45 87.47 o
7 5 0 2594.59 2493.50 116.56 o
8 5 0 460.29 571.00 75.50 o
9 5 0 2102.29 2025.83 124.25 o
10 5 0 32.82 -54.20 54.20 o
0 6 0 6432.49 6409.07 116.76 o
1 6 0 10816.36 9580.89 145.32 o
2 6 0 24378.55 24265.24 239.65 o
3 6 0 13512.26 13292.82 190.07 o
4 6 0 1533.41 1548.52 74.73 o
5 6 0 4279.51 4231.51 125.37 o
6 6 0 686.68 560.06 63.05 o
7 6 0 59.75 48.02 49.72 o
8 6 0 1732.65 1959.17 112.67 o
9 6 0 23.23 -51.03 51.03 o
1 7 0 8631.40 7909.87 143.37 o
2 7 0 47864.28 44493.32 351.20 o
3 7 0 68431.60 64010.78 443.35 o
4 7 0 6.41 -3.26 34.78 o
5 7 0 83.58 92.78 39.60 o
6 7 0 9952.69 9975.44 212.21 o
7 7 0 816.29 1021.69 80.17 o
8 7 0 52.68 93.50 57.31 o
9 7 0 1235.26 1317.92 107.42 o
0 8 0 13182.25 12509.56 190.66 o
1 8 0 21442.83 19524.22 240.23 o
2 8 0 16101.05 14270.92 212.55 o
3 8 0 4195.79 3992.59 119.78 o
4 8 0 8523.65 8325.24 179.13 o
5 8 0 7349.49 6985.52 175.33 o
6 8 0 460.05 516.90 62.56 o
7 8 0 7.14 159.77 48.46 o
8 8 0 7.31 45.49 52.78 o
9 8 0 57.60 187.79 66.12 o
1 9 0 183.07 304.79 45.93 o
2 9 0 7097.69 6498.68 153.54 o
3 9 0 738.85 702.65 63.44 o
4 9 0 2708.33 2622.81 110.87 o
5 9 0 2673.85 2637.94 117.54 o
6 9 0 1184.01 983.07 85.38 o
7 9 0 4291.10 4025.62 157.72 o
8 9 0 879.36 897.34 92.78 o
0 10 0 264.63 299.73 49.14 o
1 10 0 1914.59 1783.11 87.57 o
2 10 0 4153.24 4204.36 133.45 o
3 10 0 8178.84 7848.91 183.31 o
4 10 0 260.90 275.84 57.75 o
5 10 0 2897.64 2605.73 121.82 o
6 10 0 3.71 -47.04 47.04 o
7 10 0 414.76 422.67 70.25 o
8 10 0 2950.15 3000.77 155.97 o
1 11 0 17088.19 17699.22 275.02 o
2 11 0 440.12 468.45 59.89 o
3 11 0 6241.06 5938.77 171.44 o
4 11 0 887.43 834.25 76.87 o
5 11 0 245.40 324.06 61.64 o
6 11 0 6607.90 6356.43 201.75 o
7 11 0 3148.83 3188.80 155.19 o
0 12 0 6282.29 6585.77 179.81 o
1 12 0 35.96 124.06 41.79 o
2 12 0 160.60 55.07 48.99 o
3 12 0 1469.12 1603.20 99.29 o
4 12 0 1671.62 1666.25 103.82 o
5 12 0 3073.63 2957.52 141.81 o
6 12 0 5.71 -52.44 58.43 o
1 13 0 2257.06 2229.91 118.27 o
2 13 0 85.70 201.90 46.90 o
3 13 0 726.95 705.86 80.56 o
4 13 0 2611.71 2614.78 134.32 o
5 13 0 714.28 644.32 81.68 o
6 13 0 15.67 -35.17 58.33 o
0 14 0 20734.83 21320.08 360.49 o
1 14 0 1261.90 1491.12 106.01 o
2 14 0 489.83 429.87 71.03 o
3 14 0 2844.89 2804.66 141.38 o
4 14 0 42.70 139.97 55.90 o
5 14 0 2371.83 2775.71 145.51 o
1 15 0 3238.28 3367.68 154.85 o
2 15 0 180.57 357.38 68.45 o
3 15 0 314.81 351.98 71.95 o
-10 1 1 2.37 -5.98 58.23 o
-9 1 1 8799.19 8669.83 225.25 o
-8 1 1 1112.11 1088.49 82.12 o
-7 1 1 292.16 315.49 50.94 o
-6 1 1 5391.67 5689.64 140.99 o
-5 1 1 56907.66 56875.18 413.33 o
-4 1 1 3035.58 3191.38 85.57 o
-3 1 1 117.61 152.52 28.31 o
-2 1 1 76084.50 77091.05 385.11 o
-1 1 1 4287.42 4787.19 58.57 o
1 1 1 2422.04 2784.62 46.46 o
2 1 1 1626.16 1495.06 46.70 o
3 1 1 5148.50 5493.48 96.52 o
4 1 1 50318.54 51796.87 345.46 o
5 1 1 6983.30 7186.74 143.52 o
6 1 1 460.22 522.74 51.86 o
7 1 1 6699.29 6674.60 171.64 o
8 1 1 5386.84 5244.59 165.31 o
9 1 1 30.99 -44.32 44.32 o
10 1 1 3.85 21.21 52.06 o
-10 2 1 2934.91 2958.78 151.25 o
-9 2 1 5334.97 5301.51 181.12 o
-8 2 1 701.46 596.49 71.76 o
-7 2 1 15.73 -39.70 41.74 o
-6 2 1 6784.00 6540.96 155.05 o
-5 2 1 15782.84 15529.39 214.11 o
-4 2 1 61407.27 61722.20 389.59 o
-3 2 1 2.08 48.50 23.84 o
-2 2 1 15585.92 17443.96 156.55 o
-1 2 1 102194.56 100504.63 503.53 o
0 2 1 37622.05 36088.88 172.07 o
1 2 1 425.39 517.83 29.63 o
2 2 1 27634.92 29101.32 196.16 o
3 2 1 14919.76 14561.80 161.18 o
4 2 1 70.77 94.28 32.84 o
5 2 1 297.04 352.47 44.56 o
6 2 1 2086.36 2113.10 90.73 o
7 2 1 305.76 323.96 55.12 o
8 2 1 3160.86 3093.25 132.72 o
9 2 1 733.74 837.70 81.59 o
10 2 1 159.29 179.18 63.63 o
-10 3 1 274.90 295.30 75.55 o
-9 3 1 1321.61 1134.03 98.56 o
-8 3 1 3342.72 3455.79 138.02 o
-7 3 1 6523.97 6333.13 169.45 o
-6 3 1 623.28 697.15 57.60 o
-5 3 1 12599.34 13160.49 198.64 o
-4 3 1 2957.68 2964.33 88.88 o
-3 3 1 6.98 49.14 29.14 o
-2 3 1 78525.79 81325.87 414.25 o
-1 3 1 26.53 55.22 27.34 o
0 3 1 10947.00 9737.40 102.99 o
1 3 1 13268.76 13305.37 127.37 o
2 3 1 2577.60 2662.36 67.38 o
3 3 1 24695.49 25443.59 223.11 o
4 3 1 10473.74 10713.07 162.39 o
5 3 1 526.38 405.01 47.43 o
6 3 1 1092.52 1046.60 75.31 o
7 3 1 9779.83 9450.61 207.15 o
8 3 1 93.58 131.21 48.46 o
9 3 1 2277.50 2046.01 122.06 o
10 3 1 741.34 949.35 92.39 o
-10 4 1 71.31 32.94 60.91 o
-9 4 1 1019.03 850.35 92.09 o
-8 4 1 580.82 583.85 72.63 o
-7 4 1 801.68 934.08 77.84 o
-6 4 1 6059.16 5986.79 157.24 o
-5 4 1 1257.30 1410.79 75.41 o
-4 4 1 1549.96 1659.64 72.97 o
-3 4 1 4403.30 4566.75 101.78 o
-2 4 1 5607.38 6091.73 106.64 o
-1 4 1 1592.58 1568.71 53.42 o
0 4 1 54052.97 49614.39 269.86 o
1 4 1 18998.87 18092.85 165.36 o
2 4 1 369.61 489.90 38.82 o
3 4 1 623.62 642.71 46.51 o
4 4 1 24187.10 24861.54 256.43 o
5 4 1 324.05 569.93 53.66 o
6 4 1 7866.97 7438.31 171.64 o
7 4 1 50.01 5.94 42.62 o
8 4 1 1809.66 1852.53 107.37 o
9 4 1 6808.08 6420.65 203.26 o
10 4 1 1171.39 1259.15 110.14 o
-10 5 1 2422.06 2789.29 148.33 o
-9 5 1 1710.90 1700.55 113.45 o
-8 5 1 12.40 20.14 51.18 o
-7 5 1 14740.39 14523.27 269.62 o
-6 5 1 14741.20 14626.80 243.78 o
-5 5 1 4001.80 4172.98 122.89 o
-4 5 1 15874.59 16228.98 218.00 o
-3 5 1 3155.92 2934.80 89.56 o
-2 5 1 889.63 866.40 47.19 o
-1 5 1 1060.38 1124.00 50.55 o
0 5 1 22.60 199.32 28.65 o
1 5 1 19375.93 19079.61 188.03 o
2 5 1 2744.64 2478.61 77.01 o
3 5 1 347.52 279.10 38.68 o
4 5 1 9127.15 9414.26 164.63 o
5 5 1 17331.03 17497.76 244.56 o
6 5 1 5270.96 5060.16 146.87 o
7 5 1 119.87 274.19 51.33 o
8 5 1 6708.60 6777.16 197.23 o
9 5 1 4633.18 4630.34 176.11 o
-9 6 1 442.07 402.43 69.67 o
-8 6 1 3177.46 3193.32 140.65 o
-7 6 1 1762.92 1596.49 98.61 o
-6 6 1 4004.85 4205.97 137.34 o
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-2 6 1 22347.34 22705.87 233.13 o
-1 6 1 111.89 159.57 33.37 o
0 6 1 2.31 -10.17 29.09 o
1 6 1 64731.77 60774.75 369.74 o
2 6 1 6999.30 6916.29 131.16 o
3 6 1 705.87 877.59 57.80 o
4 6 1 93.25 233.91 41.69 o
5 6 1 7064.74 7098.34 162.78 o
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7 6 1 1380.79 1369.25 93.16 o
8 6 1 2306.96 1870.00 120.36 o
9 6 1 23.72 -50.35 59.79 o
-9 7 1 818.95 1110.77 97.15 o
-8 7 1 11.55 24.03 53.61 o
-7 7 1 249.94 330.58 61.06 o
-6 7 1 1.36 22.48 46.31 o
-5 7 1 1003.73 1032.25 73.90 o
-4 7 1 122.60 233.71 40.62 o
-3 7 1 133.38 17.27 38.68 o
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-1 7 1 1046.90 817.66 54.24 o
0 7 1 2560.06 2546.52 83.14 o
1 7 1 3596.08 3509.01 97.69 o
2 7 1 148.47 166.82 37.02 o
3 7 1 311.02 330.53 42.76 o
4 7 1 2006.96 2224.51 94.82 o
5 7 1 695.48 596.88 61.49 o
6 7 1 81.72 21.11 50.35 o
7 7 1 127.77 166.04 53.47 o
8 7 1 1068.34 1094.86 95.84 o
9 7 1 137.99 55.36 54.68 o
-9 8 1 33.95 179.57 56.73 o
-8 8 1 3224.91 3403.20 151.88 o
-7 8 1 327.72 288.54 63.05 o
-6 8 1 2063.86 2177.13 111.46 o
-5 8 1 605.11 668.20 65.58 o
-4 8 1 1339.46 1226.90 77.74 o
-3 8 1 21313.51 21049.59 269.03 o
-2 8 1 8674.19 8475.33 163.61 o
-1 8 1 299.31 367.60 42.62 o
0 8 1 5443.80 5177.45 125.37 o
1 8 1 46652.63 42570.39 354.90 o
2 8 1 3145.34 3115.39 102.07 o
3 8 1 8.82 -33.28 33.28 o
4 8 1 1632.43 1451.85 84.16 o
5 8 1 6683.30 6693.96 171.93 o
6 8 1 2117.72 1775.57 100.12 o
7 8 1 1241.84 1150.57 95.16 o
8 8 1 113.76 136.66 61.25 o
9 8 1 51.20 150.52 60.81 o
-8 9 1 659.46 622.43 84.16 o
-7 9 1 11391.95 11113.46 261.69 o
-6 9 1 3564.77 3640.32 146.87 o
-5 9 1 1325.20 1220.23 85.77 o
-4 9 1 17737.27 18261.03 279.88 o
-3 9 1 9019.06 8251.97 179.76 o
-2 9 1 4479.79 4411.37 128.34 o
-1 9 1 3751.15 3739.80 115.69 o
0 9 1 4140.67 3986.95 117.10 o
1 9 1 2548.90 2514.07 95.55 o
2 9 1 10579.23 9511.42 186.77 o
3 9 1 1021.39 968.91 69.37 o
4 9 1 5.73 67.28 42.03 o
5 9 1 4310.27 3963.30 140.26 o
6 9 1 4438.99 4299.13 154.71 o
7 9 1 6.92 39.41 54.10 o
8 9 1 1172.63 1125.95 98.71 o
-8 10 1 1279.46 1283.28 115.11 o
-7 10 1 74.03 240.57 58.28 o
-6 10 1 5790.38 5942.08 190.03 o
-5 10 1 1938.38 2094.23 109.85 o
-4 10 1 8431.42 8217.58 197.47 o
-3 10 1 6350.12 6486.57 168.77 o
-2 10 1 865.39 838.28 69.08 o
-1 10 1 5736.39 5557.26 148.58 o
0 10 1 2222.20 2281.67 98.81 o
1 10 1 13297.73 12269.57 218.10 o
2 10 1 36.11 88.45 39.41 o
3 10 1 1958.22 1887.85 98.08 o
4 10 1 1797.05 1882.16 100.12 o
5 10 1 1530.49 1524.15 98.37 o
6 10 1 2586.92 2441.44 128.05 o
7 10 1 991.12 982.68 95.35 o
8 10 1 299.59 380.05 72.39 o
-7 11 1 910.98 820.53 94.19 o
-6 11 1 358.61 510.48 73.90 o
-5 11 1 3249.98 3206.60 142.25 o
-4 11 1 423.84 383.90 59.55 o
-3 11 1 85.28 124.35 50.11 o
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-1 11 1 355.66 389.10 55.90 o
0 11 1 588.84 645.87 63.34 o
1 11 1 435.51 552.32 65.34 o
2 11 1 141.00 218.10 46.66 o
3 11 1 5678.99 5788.93 168.72 o
4 11 1 3477.46 3421.78 140.26 o
5 11 1 19.52 61.98 46.56 o
6 11 1 1478.54 1626.26 107.37 o
7 11 1 2897.44 2998.82 155.48 o
-6 12 1 23.05 -54.44 54.44 o
-5 12 1 425.02 375.67 72.93 o
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0 12 1 75.68 156.17 47.73 o
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3 12 1 82.25 92.53 53.08 o
4 12 1 915.62 1023.35 88.93 o
5 12 1 3040.62 2756.69 135.93 o
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-6 13 1 15.25 -49.09 49.09 o
-5 13 1 1248.62 1186.08 100.80 o
-4 13 1 0.94 -40.67 40.67 o
-3 13 1 157.87 99.98 56.68 o
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0 13 1 164.31 169.35 52.88 o
1 13 1 0.28 -44.27 44.27 o
2 13 1 534.07 404.23 68.50 o
3 13 1 575.66 623.45 77.74 o
4 13 1 557.33 680.51 76.48 o
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6 13 1 152.05 43.78 66.41 o
-5 14 1 42.22 -56.97 56.97 o
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2 14 1 358.68 347.80 69.47 o
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-3 15 1 56.55 171.69 57.21 o
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-3 1 2 42771.36 43385.62 286.45 o
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0 1 2 24963.46 27402.56 138.65 o
1 1 2 6392.32 7572.34 81.93 o
2 1 2 30920.31 33777.53 210.51 o
3 1 2 15753.13 16875.14 174.31 o
4 1 2 8038.03 8407.02 140.21 o
5 1 2 289.68 428.56 43.88 o
6 1 2 16818.15 16329.05 241.59 o
7 1 2 1560.25 1604.32 91.36 o
8 1 2 83.98 45.78 50.84 o
9 1 2 5778.75 5663.32 189.83 o
10 1 2 309.23 386.33 71.08 o
-10 2 2 182.23 348.14 64.85 o
-9 2 2 1935.98 1943.36 118.90 o
-8 2 2 471.30 366.77 60.13 o
-7 2 2 120.12 56.14 42.57 o
-6 2 2 1384.42 1454.34 78.28 o
-5 2 2 5796.60 5636.08 129.02 o
-4 2 2 11102.71 11030.46 162.39 o
-3 2 2 5036.38 5249.11 103.19 o
-2 2 2 3998.62 3875.00 77.45 o
-1 2 2 1031.31 1017.56 37.56 o
0 2 2 33931.60 34760.89 179.96 o
1 2 2 554.17 648.36 32.89 o
2 2 2 10419.84 10864.42 124.30 o
3 2 2 23710.18 24472.19 213.38 o
4 2 2 2110.73 2299.04 78.08 o
5 2 2 46018.25 45105.73 366.97 o
6 2 2 424.12 533.88 54.34 o
7 2 2 1980.71 1837.02 97.59 o
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9 2 2 501.82 352.76 76.67 o
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-10 3 2 160.08 310.73 64.61 o
-9 3 2 6871.59 6938.72 204.67 o
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