#------------------------------------------------------------------------------
#$Date: 2019-05-15 08:10:21 +0300 (Wed, 15 May 2019) $
#$Revision: 215176 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/1/55/10/1551059.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_1551059
_cell_angle_alpha                74.215
_cell_angle_beta                 78.085
_cell_angle_gamma                85.178
_cell_length_a                   7.3573
_cell_length_b                   11.2345
_cell_length_c                   12.9215
_exptl_crystal_F_000             682.00
_reflns_d_resolution_high        0.7995
_cod_data_source_file            tk4056Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' xq18031506_a.res in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            276.75
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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
1 0 0 4553.59 4697.51 53.59 o
2 0 0 16043.42 16968.78 146.93 o
3 0 0 1929.75 2144.67 65.76 o
4 0 0 912.61 919.75 52.17 o
5 0 0 576.02 506.25 53.04 o
6 0 0 765.14 837.05 37.74 o
7 0 0 82.94 65.32 11.52 o
8 0 0 72.89 62.62 17.91 o
9 0 0 30.10 22.55 7.31 o
-8 1 0 80.50 57.75 15.40 o
-7 1 0 546.14 580.41 36.99 o
-6 1 0 631.12 646.56 32.16 o
-5 1 0 247.97 211.95 21.38 o
-4 1 0 812.76 820.20 51.23 o
-3 1 0 241.18 423.65 30.88 o
-2 1 0 6305.85 6557.13 59.95 o
-1 1 0 2439.17 2387.61 33.86 o
0 1 0 4458.16 3853.74 44.39 o
1 1 0 11678.52 11170.23 178.51 o
2 1 0 2977.53 2634.43 93.85 o
3 1 0 3530.76 3648.83 84.31 o
4 1 0 2151.54 2120.94 77.86 o
5 1 0 1161.31 1196.48 67.96 o
6 1 0 17.77 23.95 8.57 o
7 1 0 11.93 23.59 8.41 o
8 1 0 2.30 1.10 9.90 o
-8 2 0 1099.62 1339.35 165.75 o
-7 2 0 160.54 219.45 33.94 o
-6 2 0 6151.37 6252.93 415.64 o
-5 2 0 27.28 37.04 7.98 o
-4 2 0 7534.78 7523.55 162.56 o
-3 2 0 2.27 7.38 3.77 o
-2 2 0 400.17 483.92 21.92 o
-1 2 0 926.85 842.36 29.15 o
0 2 0 247.24 273.58 17.13 o
1 2 0 3413.49 3295.81 51.70 o
2 2 0 450.25 441.79 16.25 o
3 2 0 10.88 12.30 3.64 o
4 2 0 701.16 809.67 48.24 o
5 2 0 44.21 35.78 9.42 o
6 2 0 346.81 366.31 28.19 o
7 2 0 82.13 80.93 23.02 o
8 2 0 227.94 172.31 27.81 o
-8 3 0 346.95 356.89 24.78 o
-7 3 0 10.40 21.69 13.83 o
-6 3 0 1477.85 1630.11 92.71 o
-5 3 0 335.33 373.36 30.72 o
-4 3 0 3510.36 3211.11 113.61 o
-3 3 0 3337.72 3293.14 75.74 o
-2 3 0 619.43 558.48 29.78 o
-1 3 0 5283.06 5718.46 93.26 o
0 3 0 199.63 110.16 14.46 o
1 3 0 70.74 44.16 9.27 o
2 3 0 41.40 47.62 6.52 o
3 3 0 3863.60 3825.75 142.06 o
4 3 0 149.27 144.33 20.98 o
5 3 0 1813.99 1922.47 64.95 o
6 3 0 90.86 91.09 30.96 o
7 3 0 1074.38 1216.67 81.24 o
8 3 0 17.53 8.07 7.14 o
-8 4 0 5.79 5.81 8.88 o
-7 4 0 268.31 282.57 26.85 o
-6 4 0 36.07 29.62 15.87 o
-5 4 0 445.79 430.86 38.93 o
-4 4 0 15.45 11.08 10.21 o
-3 4 0 6.16 5.74 7.54 o
-2 4 0 547.20 476.37 32.29 o
-1 4 0 427.82 444.08 31.51 o
0 4 0 429.37 560.92 34.57 o
1 4 0 414.97 344.45 27.66 o
2 4 0 539.91 533.41 23.21 o
3 4 0 1914.22 1836.79 45.97 o
4 4 0 208.79 219.84 26.71 o
5 4 0 1179.25 1283.24 55.12 o
6 4 0 9.86 21.21 14.69 o
7 4 0 112.38 140.25 29.46 o
8 4 0 0.40 11.77 7.35 o
-8 5 0 475.72 504.35 34.57 o
-7 5 0 179.57 147.30 18.01 o
-6 5 0 189.40 174.13 22.64 o
-5 5 0 65.96 60.29 12.78 o
-4 5 0 279.52 297.39 45.49 o
-3 5 0 5993.59 5765.68 137.58 o
-2 5 0 428.66 408.80 34.89 o
-1 5 0 593.23 437.09 35.36 o
0 5 0 1171.91 1556.41 64.82 o
1 5 0 7108.93 7920.33 147.56 o
2 5 0 559.64 754.59 46.99 o
3 5 0 1672.84 1812.86 73.86 o
4 5 0 279.59 318.25 22.34 o
5 5 0 5.76 -1.17 22.67 o
6 5 0 13.88 18.23 13.28 o
7 5 0 25.39 24.39 10.70 o
8 5 0 0.07 0.51 9.86 o
-7 6 0 531.60 540.65 43.92 o
-6 6 0 80.10 98.84 25.46 o
-5 6 0 10.45 4.16 10.84 o
-4 6 0 622.88 599.10 33.19 o
-3 6 0 261.68 246.13 23.39 o
-2 6 0 36.31 43.53 16.03 o
-1 6 0 4087.31 4071.54 118.33 o
0 6 0 44.73 47.93 14.93 o
1 6 0 1522.96 1562.22 73.78 o
2 6 0 3447.21 3985.82 120.45 o
3 6 0 2665.09 2647.44 99.71 o
4 6 0 1525.60 1476.93 77.11 o
5 6 0 2079.13 2238.48 114.79 o
6 6 0 567.38 555.26 55.39 o
7 6 0 26.90 32.32 10.32 o
8 6 0 1.35 11.67 5.66 o
-7 7 0 150.67 160.05 22.00 o
-6 7 0 182.11 190.06 30.09 o
-5 7 0 1525.09 1513.70 50.72 o
-4 7 0 549.47 547.52 34.03 o
-3 7 0 1478.31 1327.76 56.70 o
-2 7 0 22.22 22.93 15.09 o
-1 7 0 779.29 722.22 55.55 o
0 7 0 28.76 48.95 15.95 o
1 7 0 87.49 90.28 21.06 o
2 7 0 0.72 -11.55 11.55 o
3 7 0 1109.04 1104.53 65.57 o
4 7 0 31.85 30.91 12.92 o
5 7 0 2267.81 2379.44 118.01 o
6 7 0 397.61 430.18 46.99 o
7 7 0 857.14 893.25 52.45 o
-6 8 0 44.86 40.15 13.36 o
-5 8 0 1043.17 1040.05 48.30 o
-4 8 0 1377.11 1418.56 60.42 o
-3 8 0 217.75 198.05 19.33 o
-2 8 0 3906.62 3723.54 79.28 o
-1 8 0 1983.06 1850.58 61.89 o
0 8 0 86.64 96.25 11.00 o
1 8 0 9.23 12.40 7.76 o
2 8 0 58.28 47.54 10.62 o
3 8 0 73.79 76.79 14.12 o
4 8 0 2476.69 2526.63 91.97 o
5 8 0 159.75 147.95 30.09 o
6 8 0 34.13 34.89 12.02 o
7 8 0 707.52 622.84 72.25 o
-6 9 0 55.10 50.05 11.47 o
-5 9 0 688.18 648.89 43.37 o
-4 9 0 523.10 477.79 34.29 o
-3 9 0 1330.09 1402.32 59.50 o
-2 9 0 1.33 -3.10 7.67 o
-1 9 0 4037.21 3947.93 84.00 o
0 9 0 370.38 355.62 26.03 o
1 9 0 2203.20 2211.50 65.49 o
2 9 0 197.28 228.54 21.83 o
3 9 0 2501.39 2888.21 77.22 o
4 9 0 57.31 45.90 13.74 o
5 9 0 338.04 396.63 44.63 o
6 9 0 411.85 458.70 38.89 o
-5 10 0 23.21 28.84 9.27 o
-4 10 0 123.38 105.46 15.17 o
-3 10 0 20.37 11.35 9.16 o
-2 10 0 453.83 456.05 34.34 o
-1 10 0 247.74 243.54 25.22 o
0 10 0 544.69 557.15 40.03 o
1 10 0 2217.20 2503.15 85.14 o
2 10 0 862.74 933.86 42.62 o
3 10 0 376.12 448.05 35.39 o
4 10 0 64.35 85.25 21.53 o
5 10 0 111.06 132.47 23.49 o
6 10 0 84.94 67.33 17.05 o
-4 11 0 22.41 3.46 8.01 o
-3 11 0 694.75 630.92 52.17 o
-2 11 0 319.54 284.03 38.97 o
-1 11 0 4.04 8.17 12.89 o
0 11 0 1525.49 1753.94 99.71 o
1 11 0 280.30 268.67 22.94 o
2 11 0 638.67 705.16 34.32 o
3 11 0 2.63 12.95 10.21 o
4 11 0 28.16 26.32 12.34 o
5 11 0 8.14 23.41 7.94 o
-3 12 0 1592.16 1491.90 63.80 o
-2 12 0 571.30 527.92 44.24 o
-1 12 0 454.79 493.97 45.73 o
0 12 0 65.34 69.19 12.64 o
1 12 0 108.58 102.68 15.29 o
2 12 0 405.71 399.79 25.81 o
3 12 0 758.10 733.93 44.39 o
4 12 0 39.09 26.09 8.64 o
-2 13 0 461.74 421.69 29.31 o
-1 13 0 5.06 4.16 6.91 o
0 13 0 297.98 305.56 30.25 o
1 -13 1 364.30 310.67 26.56 o
-2 -12 1 101.47 108.19 19.41 o
-1 -12 1 1205.08 1276.97 48.58 o
0 -12 1 61.37 70.42 12.68 o
1 -12 1 1072.32 1236.15 68.75 o
2 -12 1 11.31 8.64 8.41 o
3 -12 1 148.00 145.12 19.64 o
-4 -11 1 67.83 55.24 14.61 o
-3 -11 1 911.18 999.27 68.47 o
-2 -11 1 33.90 25.81 15.52 o
-1 -11 1 585.89 674.95 63.68 o
0 -11 1 214.71 261.80 40.23 o
1 -11 1 550.24 609.87 56.57 o
2 -11 1 111.59 132.47 26.79 o
3 -11 1 69.31 63.51 17.64 o
4 -11 1 444.55 328.27 29.39 o
-5 -10 1 163.60 178.91 24.20 o
-4 -10 1 293.10 335.73 37.95 o
-3 -10 1 596.81 617.13 68.95 o
-2 -10 1 78.69 66.40 12.93 o
-1 -10 1 0.48 -10.25 10.33 o
0 -10 1 217.95 212.38 36.77 o
1 -10 1 56.60 30.09 15.40 o
2 -10 1 110.08 144.14 33.43 o
3 -10 1 0.72 13.93 8.33 o
4 -10 1 198.97 165.26 18.29 o
5 -10 1 939.59 906.39 46.20 o
-6 -9 1 0.24 7.39 7.94 o
-5 -9 1 326.74 343.90 38.50 o
-4 -9 1 89.38 86.52 26.04 o
-3 -9 1 91.57 103.25 19.72 o
-2 -9 1 148.59 145.83 18.03 o
-1 -9 1 2268.35 2126.53 79.67 o
0 -9 1 1182.76 1153.42 58.72 o
1 -9 1 306.87 299.53 23.70 o
2 -9 1 4025.30 4059.77 103.34 o
3 -9 1 72.96 76.86 15.57 o
4 -9 1 491.27 468.68 89.41 o
5 -9 1 5.47 -0.71 10.53 o
6 -9 1 28.52 34.49 10.69 o
-7 -8 1 15.39 18.15 8.01 o
-6 -8 1 7.31 11.71 8.01 o
-5 -8 1 181.81 167.59 31.90 o
-4 -8 1 46.04 25.48 12.46 o
-3 -8 1 421.33 441.02 31.35 o
-2 -8 1 1731.65 1791.98 59.26 o
-1 -8 1 1532.83 1552.95 75.50 o
0 -8 1 287.02 248.19 21.61 o
1 -8 1 735.44 718.83 35.50 o
2 -8 1 3842.93 3638.43 79.11 o
3 -8 1 1773.81 1738.99 67.65 o
4 -8 1 2364.14 2574.21 81.16 o
5 -8 1 1301.25 1391.65 78.57 o
6 -8 1 958.49 1073.83 59.56 o
7 -8 1 29.74 41.72 9.51 o
-7 -7 1 218.07 179.74 16.44 o
-6 -7 1 7.81 -1.34 10.45 o
-5 -7 1 131.61 134.09 19.76 o
-4 -7 1 958.89 853.19 95.50 o
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-1 -7 1 170.73 214.26 32.61 o
0 -7 1 306.69 294.01 36.77 o
1 -7 1 2429.50 2519.14 105.76 o
2 -7 1 830.44 782.34 35.10 o
3 -7 1 15.69 6.60 8.72 o
4 -7 1 1237.34 1179.69 55.13 o
5 -7 1 736.45 781.07 62.78 o
6 -7 1 777.17 900.66 61.44 o
7 -7 1 870.05 964.54 50.91 o
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-5 -6 1 285.53 214.75 25.68 o
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1 -6 1 5530.09 6248.03 151.09 o
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3 -6 1 25.56 2.38 9.64 o
4 -6 1 33.34 23.07 8.15 o
5 -6 1 0.33 1.34 10.84 o
6 -6 1 41.10 41.88 17.36 o
7 -6 1 4.41 7.78 10.53 o
-8 -5 1 234.73 206.50 32.96 o
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-4 -5 1 13.49 21.82 9.28 o
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0 -5 1 1857.91 1771.61 71.97 o
1 -5 1 13671.18 15542.80 213.08 o
2 -5 1 8690.15 9075.64 165.47 o
3 -5 1 526.72 424.35 24.92 o
4 -5 1 615.06 505.98 36.36 o
5 -5 1 224.55 171.28 18.60 o
6 -5 1 672.56 651.02 40.89 o
7 -5 1 199.93 176.86 27.11 o
8 -5 1 117.89 144.33 19.56 o
-8 -4 1 712.90 698.44 32.81 o
-7 -4 1 288.47 293.78 39.13 o
-6 -4 1 776.96 837.92 49.70 o
-5 -4 1 196.07 190.50 18.76 o
-4 -4 1 121.97 81.71 16.74 o
-3 -4 1 63.38 64.31 14.61 o
-2 -4 1 302.19 397.88 32.37 o
-1 -4 1 0.14 10.76 8.49 o
0 -4 1 230.25 316.48 27.74 o
1 -4 1 0.83 6.70 4.24 o
2 -4 1 4828.26 5304.32 111.96 o
3 -4 1 451.97 522.18 35.83 o
4 -4 1 5445.61 5066.56 151.48 o
5 -4 1 560.24 534.66 38.53 o
6 -4 1 529.18 530.41 37.94 o
7 -4 1 11.27 20.01 9.62 o
8 -4 1 21.29 20.08 7.46 o
-8 -3 1 224.97 219.71 75.59 o
-7 -3 1 454.55 486.66 69.06 o
-6 -3 1 3332.04 3786.84 100.66 o
-5 -3 1 7196.49 6916.81 131.13 o
-4 -3 1 5442.92 5772.44 131.37 o
-3 -3 1 368.89 258.21 19.29 o
-2 -3 1 3771.66 3595.17 116.48 o
-1 -3 1 4204.05 4413.72 88.47 o
0 -3 1 0.35 4.09 7.15 o
1 -3 1 5054.61 5316.47 340.76 o
2 -3 1 66.79 55.94 11.55 o
3 -3 1 4726.45 4194.66 83.44 o
4 -3 1 4.14 2.83 8.88 o
5 -3 1 458.64 471.40 34.61 o
6 -3 1 234.37 204.76 33.71 o
7 -3 1 341.15 368.49 31.05 o
8 -3 1 88.35 72.36 18.62 o
-8 -2 1 0.77 9.90 13.44 o
-7 -2 1 54.68 46.01 13.74 o
-6 -2 1 215.66 201.67 19.34 o
-5 -2 1 983.58 1126.54 41.24 o
-4 -2 1 1173.76 1121.52 57.44 o
-3 -2 1 556.15 660.33 23.32 o
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-1 -2 1 1961.09 2149.31 82.70 o
0 -2 1 9318.96 9676.31 102.14 o
1 -2 1 3443.64 3604.36 65.29 o
2 -2 1 507.80 489.81 24.20 o
3 -2 1 535.34 499.32 35.12 o
4 -2 1 562.07 545.05 44.16 o
5 -2 1 2671.75 2440.43 176.59 o
6 -2 1 739.15 716.08 54.76 o
7 -2 1 651.52 678.14 58.14 o
8 -2 1 913.19 1025.35 66.79 o
-8 -1 1 22.68 12.57 13.75 o
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0 -1 1 622.85 654.81 20.11 o
1 -1 1 1125.67 926.74 24.28 o
2 -1 1 590.48 661.79 46.95 o
3 -1 1 118.86 148.58 18.39 o
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5 -1 1 42.60 32.02 9.11 o
6 -1 1 27.51 11.79 5.89 o
7 -1 1 127.12 143.83 19.22 o
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0 0 1 2435.34 2738.74 31.43 o
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2 0 1 23879.50 25997.20 179.85 o
3 0 1 1185.23 1123.64 47.14 o
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5 0 1 830.76 789.01 56.49 o
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8 0 1 319.87 336.99 35.20 o
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1 1 1 3247.11 3121.83 42.98 o
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6 3 1 14.86 23.29 8.16 o
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4 4 1 41.29 44.94 13.51 o
5 4 1 14.26 -4.40 17.87 o
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7 4 1 113.41 113.15 19.14 o
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4 2 15 114.75 117.15 20.35 o
0 3 15 16.33 7.70 7.86 o
1 3 15 20.63 8.41 8.80 o
2 3 15 290.60 347.91 37.48 o
3 3 15 86.22 97.51 21.29 o
0 4 15 147.60 129.01 19.64 o
1 4 15 5.34 -9.11 9.66 o
2 4 15 28.22 33.47 14.30 o
3 4 15 227.05 244.51 29.70 o
0 5 15 901.37 642.87 40.07 o
1 5 15 239.71 187.08 17.00 o
2 5 15 370.46 420.35 36.77 o
3 5 15 248.84 237.44 28.29 o
0 6 15 1003.07 925.80 48.32 o
1 6 15 434.42 389.48 34.26 o
2 6 15 1405.36 1193.96 58.69 o
3 6 15 242.27 96.25 16.42 o
0 7 15 5.80 2.20 4.09 o
1 7 15 32.59 21.53 11.31 o
2 7 15 7.93 9.90 9.51 o
3 7 15 447.37 345.40 28.84 o
1 8 15 12.33 6.91 5.50 o
2 8 15 5.18 10.29 6.44 o
2 2 16 81.57 75.82 13.91 o
2 3 16 2.78 -7.15 7.15 o