#------------------------------------------------------------------------------
#$Date: 2016-04-06 17:11:09 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181909 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/09/2240970.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2240970
_cell_angle_alpha                104.592
_cell_angle_beta                 106.849
_cell_angle_gamma                102.174
_cell_length_a                   8.3606
_cell_length_b                   10.9186
_cell_length_c                   11.0971
_exptl_crystal_F_000             400.00
_reflns_d_resolution_high        0.7819
_cod_data_source_file            su5182Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' EL15_D568_DRX4_BM37b_a.res in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            158.91
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
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 1415.25 1361.18 26.29 o
2 0 0 1503.69 1605.19 14.27 o
3 0 0 181.27 194.33 2.16 o
4 0 0 191.15 235.10 3.17 o
5 0 0 21.19 19.93 0.79 o
6 0 0 49.17 52.62 0.98 o
7 0 0 251.73 256.01 3.98 o
8 0 0 68.01 61.96 2.37 o
9 0 0 15.15 12.08 3.19 o
-9 1 0 11.13 9.15 1.84 o
-8 1 0 81.19 79.09 2.56 o
-7 1 0 109.02 105.23 1.78 o
-6 1 0 174.63 173.95 2.20 o
-5 1 0 116.71 115.18 1.68 o
-4 1 0 830.37 889.79 9.30 o
-3 1 0 1.51 2.16 0.15 o
-2 1 0 1001.71 1137.64 10.54 o
-1 1 0 406.75 439.58 3.82 o
1 1 0 28.18 23.61 0.34 o
2 1 0 3425.89 3463.06 35.15 o
3 1 0 470.35 493.54 4.72 o
4 1 0 87.33 110.11 1.29 o
5 1 0 149.00 168.62 1.97 o
6 1 0 158.86 155.85 2.14 o
7 1 0 87.95 86.49 2.21 o
8 1 0 38.00 35.70 1.95 o
9 1 0 0.20 -1.12 1.12 o
-10 2 0 8.52 9.14 1.74 o
-9 2 0 0.29 -0.40 0.94 o
-8 2 0 9.61 10.27 1.26 o
-7 2 0 52.81 52.35 0.99 o
-6 2 0 13.62 12.39 0.54 o
-5 2 0 0.53 1.06 0.19 o
-4 2 0 459.34 495.27 5.92 o
-3 2 0 412.66 435.25 4.36 o
-2 2 0 2912.17 3079.26 29.25 o
-1 2 0 3213.21 3245.11 31.45 o
0 2 0 121.24 125.31 1.80 o
1 2 0 528.42 506.79 4.43 o
2 2 0 959.61 924.13 8.71 o
3 2 0 392.65 467.40 4.91 o
4 2 0 0.13 0.22 0.15 o
5 2 0 25.03 30.58 0.59 o
6 2 0 16.88 17.79 0.56 o
7 2 0 0.74 0.00 0.55 o
8 2 0 88.34 96.13 3.27 o
9 2 0 0.07 0.43 1.29 o
-10 3 0 21.98 18.35 1.70 o
-9 3 0 2.42 1.76 1.12 o
-8 3 0 7.79 7.36 1.29 o
-7 3 0 112.65 119.37 1.85 o
-6 3 0 558.62 564.46 6.34 o
-5 3 0 370.25 384.35 4.15 o
-4 3 0 509.07 520.07 5.26 o
-3 3 0 24.68 25.73 0.42 o
-2 3 0 453.51 457.30 4.04 o
-1 3 0 169.92 209.46 2.09 o
0 3 0 1.43 0.36 0.13 o
1 3 0 1752.73 1814.55 15.55 o
2 3 0 645.12 593.61 6.30 o
3 3 0 858.33 918.79 8.67 o
4 3 0 6.80 6.52 0.32 o
5 3 0 422.67 425.90 4.42 o
6 3 0 0.05 0.20 0.28 o
7 3 0 63.65 62.01 3.07 o
8 3 0 23.76 26.23 2.20 o
-10 4 0 1.08 0.25 0.99 o
-9 4 0 67.62 70.89 2.93 o
-8 4 0 105.39 103.38 2.32 o
-7 4 0 68.86 68.38 1.29 o
-6 4 0 131.56 141.64 2.20 o
-5 4 0 168.44 163.57 2.25 o
-4 4 0 914.77 992.69 9.37 o
-3 4 0 696.10 758.97 7.53 o
-2 4 0 70.43 75.36 1.10 o
-1 4 0 3.64 4.41 0.23 o
0 4 0 52.52 43.93 0.72 o
1 4 0 4094.90 4237.34 46.90 o
2 4 0 361.32 332.33 3.32 o
3 4 0 913.87 920.26 9.57 o
4 4 0 50.85 56.69 1.03 o
5 4 0 45.72 44.75 1.14 o
6 4 0 0.18 -0.35 0.35 o
7 4 0 0.35 -0.61 1.10 o
8 4 0 46.49 48.83 6.50 o
-10 5 0 3.11 3.66 1.12 o
-9 5 0 60.44 62.01 2.74 o
-8 5 0 0.03 0.20 0.46 o
-7 5 0 9.42 9.62 0.72 o
-6 5 0 12.32 14.38 0.74 o
-5 5 0 108.42 101.46 1.41 o
-4 5 0 984.70 1078.74 11.77 o
-3 5 0 818.71 856.08 7.83 o
-2 5 0 138.15 149.49 1.65 o
-1 5 0 87.30 90.76 1.21 o
0 5 0 39.17 40.62 0.72 o
1 5 0 1510.36 1621.61 15.83 o
2 5 0 170.07 143.33 2.66 o
3 5 0 215.38 198.24 4.04 o
4 5 0 722.41 666.98 9.23 o
5 5 0 42.49 45.38 1.47 o
6 5 0 43.98 42.28 1.32 o
7 5 0 16.37 18.85 2.06 o
-10 6 0 62.24 59.11 2.93 o
-9 6 0 32.66 28.22 2.07 o
-8 6 0 39.40 35.47 1.35 o
-7 6 0 13.21 10.81 0.78 o
-6 6 0 19.15 20.18 0.82 o
-5 6 0 47.32 50.20 1.26 o
-4 6 0 10.52 12.34 1.05 o
-3 6 0 688.43 690.06 9.40 o
-2 6 0 419.99 408.02 4.45 o
-1 6 0 151.92 141.23 2.09 o
0 6 0 307.15 364.29 5.21 o
1 6 0 25.46 20.41 0.65 o
2 6 0 4.87 4.29 0.42 o
3 6 0 173.55 170.46 2.82 o
4 6 0 71.88 63.03 1.66 o
5 6 0 5.31 5.01 0.74 o
6 6 0 2.39 3.77 0.57 o
7 6 0 0.40 1.23 1.29 o
-9 7 0 308.40 294.01 7.18 o
-8 7 0 50.00 51.57 1.67 o
-7 7 0 111.27 111.96 2.51 o
-6 7 0 39.16 30.46 1.24 o
-5 7 0 2.45 3.81 0.47 o
-4 7 0 609.57 596.64 8.28 o
-3 7 0 547.87 513.48 6.24 o
-2 7 0 0.51 1.01 0.29 o
-1 7 0 1.96 1.42 0.32 o
0 7 0 153.38 165.73 2.57 o
1 7 0 42.50 37.48 1.01 o
2 7 0 44.51 36.52 1.16 o
3 7 0 54.76 57.53 1.65 o
4 7 0 137.43 143.30 3.16 o
5 7 0 93.82 93.59 2.65 o
6 7 0 0.47 0.81 1.12 o
-9 8 0 39.10 33.12 2.43 o
-8 8 0 133.94 134.40 3.01 o
-7 8 0 3.79 2.64 0.61 o
-6 8 0 10.87 9.31 0.83 o
-5 8 0 64.93 60.93 1.55 o
-4 8 0 0.03 0.02 0.29 o
-3 8 0 26.62 22.35 0.97 o
-2 8 0 413.62 405.07 5.50 o
-1 8 0 1091.43 1018.49 12.87 o
0 8 0 426.18 424.66 5.79 o
1 8 0 7.80 9.73 0.65 o
2 8 0 0.08 0.24 0.46 o
3 8 0 31.10 27.30 1.81 o
4 8 0 14.40 12.73 1.45 o
5 8 0 0.35 -0.59 0.59 o
-9 9 0 0.45 -0.04 1.22 o
-8 9 0 111.72 117.24 2.63 o
-7 9 0 142.39 146.64 2.63 o
-6 9 0 84.99 83.63 1.95 o
-5 9 0 33.83 28.17 1.76 o
-4 9 0 19.35 18.10 1.03 o
-3 9 0 0.13 0.12 0.38 o
-2 9 0 10.07 10.89 0.68 o
-1 9 0 179.90 178.87 2.90 o
0 9 0 0.02 -0.19 0.37 o
1 9 0 512.85 467.68 6.43 o
2 9 0 160.52 153.19 3.49 o
3 9 0 73.63 77.73 2.37 o
4 9 0 123.30 125.31 3.93 o
5 9 0 86.89 113.65 3.25 o
-8 10 0 0.03 -0.50 0.50 o
-7 10 0 20.37 19.23 1.00 o
-6 10 0 19.22 17.60 1.05 o
-5 10 0 0.09 -0.05 0.40 o
-4 10 0 16.15 16.62 0.87 o
-3 10 0 9.39 7.39 0.65 o
-2 10 0 407.84 415.89 6.31 o
-1 10 0 46.00 43.97 1.43 o
0 10 0 8.44 8.78 0.71 o
1 10 0 0.04 0.63 0.46 o
2 10 0 54.70 59.48 2.08 o
3 10 0 6.63 5.08 0.97 o
4 10 0 26.04 22.38 1.98 o
-8 11 0 44.50 53.09 1.68 o
-7 11 0 59.71 67.54 1.82 o
-6 11 0 161.00 162.93 3.19 o
-5 11 0 130.11 129.52 2.45 o
-4 11 0 64.01 65.81 1.70 o
-3 11 0 36.90 37.06 1.82 o
-2 11 0 0.89 0.50 0.49 o
-1 11 0 0.01 -0.40 0.49 o
0 11 0 3.60 4.24 0.69 o
1 11 0 0.16 0.99 0.59 o
2 11 0 0.46 -0.75 0.75 o
3 11 0 1.16 1.47 0.91 o
-7 12 0 27.29 28.22 1.36 o
-6 12 0 31.47 33.54 1.52 o
-5 12 0 171.29 193.94 3.70 o
-4 12 0 27.13 30.96 1.32 o
-3 12 0 17.62 13.82 1.00 o
-2 12 0 19.67 20.95 1.21 o
-1 12 0 62.76 62.51 1.91 o
0 12 0 156.61 155.42 3.76 o
1 12 0 55.96 56.28 2.27 o
-5 13 0 45.48 49.38 2.15 o
-4 13 0 92.08 97.87 2.32 o
-3 13 0 10.06 8.52 0.94 o
-2 13 0 0.01 -0.56 0.62 o
-1 13 0 0.36 -0.73 0.73 o
0 -13 1 35.81 39.75 1.68 o
1 -13 1 126.16 131.77 2.93 o
2 -13 1 6.51 7.94 0.90 o
3 -13 1 17.22 18.48 1.22 o
4 -13 1 14.89 11.38 1.07 o
5 -13 1 121.69 133.86 4.04 o
-2 -12 1 5.63 3.99 0.98 o
-1 -12 1 1.50 0.86 0.58 o
0 -12 1 3.04 4.73 0.68 o
1 -12 1 95.91 98.43 2.35 o
2 -12 1 48.84 50.71 1.72 o
3 -12 1 44.78 48.11 1.99 o
4 -12 1 355.82 387.32 5.69 o
5 -12 1 1.53 2.76 0.74 o
6 -12 1 37.80 43.61 1.70 o
7 -12 1 56.54 56.07 1.87 o
-3 -11 1 12.72 16.92 1.34 o
-2 -11 1 5.35 5.00 0.75 o
-1 -11 1 5.56 5.90 0.65 o
0 -11 1 0.74 0.94 0.49 o
1 -11 1 63.21 66.03 1.65 o
2 -11 1 188.15 187.90 3.19 o
3 -11 1 19.88 17.21 0.90 o
4 -11 1 171.95 174.61 3.01 o
5 -11 1 45.55 42.92 1.55 o
6 -11 1 3.46 2.88 0.68 o
7 -11 1 29.07 27.06 1.25 o
8 -11 1 39.97 36.61 1.47 o
-4 -10 1 10.02 9.25 1.15 o
-3 -10 1 13.17 12.85 1.03 o
-2 -10 1 3.09 3.61 0.65 o
-1 -10 1 82.22 82.96 1.83 o
0 -10 1 0.67 0.48 0.45 o
1 -10 1 0.89 0.46 0.45 o
2 -10 1 304.76 301.24 4.15 o
3 -10 1 143.27 138.63 2.44 o
4 -10 1 77.58 76.41 1.81 o
5 -10 1 0.30 0.07 0.47 o
6 -10 1 26.43 29.55 1.59 o
7 -10 1 13.72 13.64 1.36 o
8 -10 1 32.00 26.58 1.49 o
-5 -9 1 0.76 1.36 0.81 o
-4 -9 1 79.82 89.92 2.35 o
-3 -9 1 351.27 370.76 6.32 o
-2 -9 1 264.30 262.79 4.27 o
-1 -9 1 30.87 31.56 1.14 o
0 -9 1 134.54 133.04 2.19 o
1 -9 1 3.03 2.89 0.39 o
2 -9 1 0.27 0.17 0.36 o
3 -9 1 12.53 9.74 0.62 o
4 -9 1 7.56 6.44 0.70 o
5 -9 1 1.05 1.26 0.64 o
6 -9 1 67.45 65.68 2.14 o
7 -9 1 48.17 43.28 1.66 o
8 -9 1 3.43 2.39 0.68 o
9 -9 1 96.20 100.13 5.44 o
-6 -8 1 15.00 17.75 4.29 o
-5 -8 1 0.04 -0.78 0.78 o
-4 -8 1 0.71 1.44 0.55 o
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-2 -8 1 108.61 102.23 2.09 o
-1 -8 1 211.77 214.96 3.24 o
0 -8 1 121.20 115.22 1.84 o
1 -8 1 0.55 0.92 0.29 o
2 -8 1 561.64 547.11 7.73 o
3 -8 1 37.49 33.40 1.11 o
4 -8 1 266.97 262.41 3.99 o
5 -8 1 1049.60 1068.97 17.98 o
6 -8 1 25.99 26.59 1.36 o
7 -8 1 13.38 13.77 0.98 o
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9 -8 1 79.76 77.52 3.20 o
-7 -7 1 2.88 2.96 1.84 o
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0 -7 1 181.36 172.76 2.29 o
1 -7 1 20.91 28.81 0.74 o
2 -7 1 141.22 142.46 2.60 o
3 -7 1 86.91 90.82 1.55 o
4 -7 1 2.81 3.46 0.46 o
5 -7 1 368.03 377.03 6.90 o
6 -7 1 96.69 94.65 2.19 o
7 -7 1 15.17 18.11 1.04 o
8 -7 1 6.09 5.05 0.72 o
9 -7 1 47.79 52.36 2.74 o
-7 -6 1 35.98 48.93 8.96 o
-6 -6 1 102.87 116.79 4.10 o
-5 -6 1 21.07 24.12 1.11 o
-4 -6 1 178.13 187.21 3.41 o
-3 -6 1 38.28 36.90 1.01 o
-2 -6 1 0.17 1.37 0.38 o
-1 -6 1 46.99 46.68 1.02 o
0 -6 1 78.62 81.91 1.22 o
1 -6 1 283.25 270.99 3.21 o
2 -6 1 589.92 644.92 7.63 o
3 -6 1 696.89 681.97 8.61 o
4 -6 1 71.73 60.53 1.39 o
5 -6 1 117.30 109.60 2.15 o
6 -6 1 276.54 281.74 4.34 o
7 -6 1 61.58 68.44 1.83 o
8 -6 1 42.24 41.50 1.49 o
9 -6 1 18.89 20.03 1.79 o
-8 -5 1 0.00 -0.42 1.18 o
-7 -5 1 74.64 84.27 6.38 o
-6 -5 1 145.84 145.07 2.83 o
-5 -5 1 278.52 277.76 4.63 o
-4 -5 1 32.64 34.19 1.02 o
-3 -5 1 0.03 0.37 0.21 o
-2 -5 1 899.80 875.04 9.13 o
-1 -5 1 748.30 721.66 9.31 o
0 -5 1 2318.15 2374.27 21.98 o
1 -5 1 562.31 565.76 5.69 o
2 -5 1 339.78 410.49 3.88 o
3 -5 1 306.61 347.54 3.47 o
4 -5 1 90.89 90.82 1.34 o
5 -5 1 376.26 399.78 5.76 o
6 -5 1 475.13 476.29 6.86 o
7 -5 1 40.97 42.14 1.39 o
8 -5 1 25.95 27.60 1.90 o
9 -5 1 10.87 12.37 1.46 o
-8 -4 1 11.76 12.70 1.95 o
-7 -4 1 110.81 102.79 4.12 o
-6 -4 1 142.78 146.60 2.29 o
-5 -4 1 891.34 882.20 11.07 o
-4 -4 1 41.66 36.81 0.79 o
-3 -4 1 14.75 17.99 0.52 o
-2 -4 1 114.78 133.37 1.47 o
-1 -4 1 30.13 37.29 0.58 o
0 -4 1 822.95 787.45 7.12 o
1 -4 1 432.67 373.46 3.37 o
2 -4 1 554.63 592.60 5.94 o
3 -4 1 8.38 12.22 0.56 o
4 -4 1 139.55 137.26 1.70 o
5 -4 1 437.60 459.73 4.98 o
6 -4 1 12.41 15.81 0.84 o
7 -4 1 40.46 38.97 1.21 o
8 -4 1 1.32 1.29 0.87 o
9 -4 1 0.00 -0.61 1.04 o
-9 -3 1 7.42 9.89 1.48 o
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-6 -3 1 21.76 19.47 0.78 o
-5 -3 1 28.10 26.87 0.65 o
-4 -3 1 91.01 82.27 1.35 o
-3 -3 1 52.43 50.34 0.93 o
-2 -3 1 11.02 12.99 0.33 o
-1 -3 1 2187.28 2096.44 19.03 o
0 -3 1 1042.88 977.06 12.58 o
1 -3 1 1502.38 1517.16 13.51 o
2 -3 1 180.81 192.85 1.83 o
3 -3 1 14.62 17.69 0.42 o
4 -3 1 11.32 13.83 0.68 o
5 -3 1 370.28 406.80 4.44 o
6 -3 1 3.58 2.43 0.26 o
7 -3 1 64.44 63.86 1.40 o
8 -3 1 136.63 135.55 4.20 o
9 -3 1 94.33 105.21 5.28 o
-9 -2 1 8.85 7.82 1.29 o
-8 -2 1 1.19 1.01 0.83 o
-7 -2 1 0.50 0.09 0.42 o
-6 -2 1 1660.76 1656.22 17.85 o
-5 -2 1 635.20 624.36 6.53 o
-4 -2 1 214.10 221.04 2.36 o
-3 -2 1 56.92 69.29 0.94 o
-2 -2 1 1146.36 1209.18 11.71 o
-1 -2 1 2464.35 2323.02 23.61 o
0 -2 1 161.10 170.07 1.54 o
1 -2 1 1569.75 1605.51 13.29 o
2 -2 1 3343.65 3436.54 34.90 o
3 -2 1 65.85 81.95 1.10 o
4 -2 1 254.51 266.75 2.60 o
5 -2 1 1050.22 1089.43 10.25 o
6 -2 1 124.83 129.11 1.56 o
7 -2 1 212.39 213.52 3.07 o
8 -2 1 20.31 19.71 3.31 o
9 -2 1 62.24 56.19 3.21 o
-9 -1 1 7.10 7.80 1.26 o
-8 -1 1 3.42 4.22 0.89 o
-7 -1 1 0.37 0.13 0.33 o
-6 -1 1 111.15 106.89 1.49 o
-5 -1 1 655.56 682.65 7.91 o
-4 -1 1 6444.85 6738.12 62.19 o
-3 -1 1 1182.29 1265.83 11.76 o
-2 -1 1 865.19 937.13 9.54 o
-1 -1 1 3003.04 3042.39 30.94 o
0 -1 1 1450.10 1289.87 32.19 o
1 -1 1 910.38 903.72 9.16 o
2 -1 1 40.99 29.93 0.40 o
3 -1 1 62.64 61.75 0.73 o
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5 -1 1 305.74 342.18 3.77 o
6 -1 1 343.75 352.07 4.13 o
7 -1 1 340.37 340.77 4.35 o
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9 -1 1 17.34 18.16 2.94 o
-9 0 1 82.64 85.89 5.40 o
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-3 1 1 974.08 1110.50 11.96 o
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0 1 1 578.63 551.92 7.31 o
1 1 1 2159.45 2022.01 22.96 o
2 1 1 261.49 281.54 3.20 o
3 1 1 5.43 5.03 0.25 o
4 1 1 148.16 151.07 1.81 o
5 1 1 0.17 0.40 0.22 o
6 1 1 326.86 323.01 4.40 o
7 1 1 17.40 15.54 1.19 o
8 1 1 93.20 99.90 3.25 o
9 1 1 55.48 59.45 3.73 o
-10 2 1 54.32 46.92 4.90 o
-9 2 1 224.46 222.53 7.03 o
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2 2 1 514.43 519.32 4.75 o
3 2 1 1543.59 1538.34 14.35 o
4 2 1 318.04 310.67 3.29 o
5 2 1 290.84 293.98 3.36 o
6 2 1 421.48 423.11 6.08 o
7 2 1 0.89 0.55 0.47 o
8 2 1 10.02 9.94 1.30 o
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