#------------------------------------------------------------------------------
#$Date: 2017-08-25 09:52:08 +0300 (Fri, 25 Aug 2017) $
#$Revision: 199943 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/22/2242292.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_2242292
_cell_angle_alpha                90
_cell_angle_beta                 97.7087(19)
_cell_angle_gamma                90
_cell_length_a                   8.0770(5)
_cell_length_b                   11.2234(6)
_cell_length_c                   9.4377(6)
_exptl_crystal_F_000             328
_reflns_d_resolution_high        0.7097
_cod_data_source_file            su0009Isup2.hkl
_cod_data_source_block           I
_shelx_title                     '   '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            111.41
_shelx_f_squared_multiplier      1.000
loop_
_symmetry_equiv_pos_as_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
0 0 2 5381.03 5291.39 38.80 o
0 0 4 14.11 22.22 0.78 o
0 0 6 316.89 277.98 4.52 o
0 0 8 364.20 351.69 5.13 o
0 0 10 102.16 109.85 2.74 o
0 0 12 27.57 24.44 2.74 o
0 1 1 1604.55 1575.62 7.39 o
0 1 2 930.17 974.45 5.10 o
0 1 3 133.46 140.02 1.11 o
0 1 4 1036.10 1093.01 6.20 o
0 1 5 81.73 89.93 1.39 o
0 1 6 6.84 4.20 0.57 o
0 1 7 188.65 196.38 2.19 o
0 1 8 5.22 3.31 0.73 o
0 1 9 4.69 0.87 0.80 <
0 1 10 13.98 13.52 1.17 o
0 1 11 53.86 51.79 2.01 o
0 1 12 6.17 4.28 1.61 <
0 1 13 93.10 102.46 3.33 o
0 2 0 6906.41 6659.01 53.03 o
0 2 1 174.42 184.07 1.13 o
0 2 2 1383.96 1331.67 6.36 o
0 2 3 2012.57 2105.70 10.91 o
0 2 4 1099.27 1065.00 6.06 o
0 2 5 440.93 448.10 3.39 o
0 2 6 1188.05 1206.63 8.49 o
0 2 7 87.34 82.71 1.52 o
0 2 8 830.33 826.90 6.40 o
0 2 9 39.56 32.82 1.38 o
0 2 10 168.66 177.37 3.07 o
0 2 11 10.00 7.58 1.69 o
0 2 12 9.17 11.36 1.73 o
0 2 13 61.79 57.51 2.87 o
0 3 1 108.54 106.00 0.88 o
0 3 2 332.43 346.96 1.96 o
0 3 3 15.08 13.81 0.39 o
0 3 4 66.57 65.87 1.04 o
0 3 5 80.20 93.94 1.35 o
0 3 6 3.68 5.70 0.70 o
0 3 7 69.15 66.93 1.54 o
0 3 8 615.03 578.91 5.21 o
0 3 9 43.18 41.00 1.49 o
0 3 10 89.05 86.45 2.38 o
0 3 11 42.45 44.02 2.13 o
0 3 12 21.73 21.39 1.95 o
0 4 0 69.92 73.55 1.13 o
0 4 1 79.47 81.13 0.82 o
0 4 2 2541.66 2677.95 14.00 o
0 4 3 86.49 108.36 1.15 o
0 4 4 876.08 813.24 5.20 o
0 4 5 118.75 94.31 1.40 o
0 4 6 9.48 11.63 0.83 o
0 4 7 81.48 79.08 1.67 o
0 4 8 281.80 295.36 3.33 o
0 4 9 349.61 321.39 4.05 o
0 4 10 630.41 630.03 6.54 o
0 4 11 189.41 193.31 3.47 o
0 4 12 253.41 262.64 5.10 o
0 5 1 166.73 179.74 1.40 o
0 5 2 23.34 19.46 0.56 o
0 5 3 0.08 -0.36 0.39 <
0 5 4 0.01 -0.14 0.42 <
0 5 5 273.36 265.65 2.80 o
0 5 6 35.35 35.83 1.30 o
0 5 7 317.14 310.87 3.68 o
0 5 8 120.89 116.40 2.40 o
0 5 9 315.40 303.89 4.01 o
0 5 10 13.78 17.70 1.52 o
0 5 11 67.36 67.40 2.56 o
0 5 12 6.03 2.15 1.72 <
0 6 0 324.97 395.58 4.06 o
0 6 1 325.76 320.03 2.37 o
0 6 2 304.87 318.41 2.52 o
0 6 3 1079.11 1027.13 6.83 o
0 6 4 299.24 299.67 2.54 o
0 6 5 89.33 68.75 1.38 o
0 6 6 244.43 241.03 3.30 o
0 6 7 32.82 28.22 1.43 o
0 6 8 579.47 594.01 6.01 o
0 6 9 43.54 43.61 1.85 o
0 6 10 681.08 689.23 7.76 o
0 6 11 31.77 38.34 2.19 o
0 6 12 225.27 220.77 4.84 o
0 7 1 5.55 6.65 0.56 o
0 7 2 97.87 99.14 1.31 o
0 7 3 12.70 11.71 0.65 o
0 7 4 100.96 93.89 1.36 o
0 7 5 0.07 -0.08 0.60 <
0 7 6 19.18 16.55 1.22 o
0 7 7 31.17 28.37 1.50 o
0 7 8 45.49 42.34 1.89 o
0 7 9 165.62 166.54 3.73 o
0 7 10 8.93 11.31 1.78 o
0 7 11 153.39 152.34 4.56 o
0 8 0 406.08 372.77 4.69 o
0 8 1 899.20 874.87 6.69 o
0 8 2 201.58 174.54 2.01 o
0 8 3 599.51 599.65 4.64 o
0 8 4 279.25 284.39 2.60 o
0 8 5 10.69 10.09 0.85 o
0 8 6 506.64 516.75 5.64 o
0 8 7 290.56 287.58 4.51 o
0 8 8 188.10 191.51 3.84 o
0 8 9 132.43 138.04 4.01 o
0 8 10 18.94 19.00 2.32 o
0 8 11 3.75 3.86 2.03 <
0 9 1 15.00 16.78 0.83 o
0 9 2 304.18 296.46 2.94 o
0 9 3 34.95 29.76 1.04 o
0 9 4 12.18 12.74 0.97 o
0 9 5 4.51 3.92 1.01 o
0 9 6 268.45 254.32 4.14 o
0 9 7 8.83 9.29 1.76 o
0 9 8 0.48 2.34 1.71 <
0 9 9 0.00 -3.71 1.67 <
0 9 10 11.46 3.35 1.99 <
0 10 0 1679.27 1751.19 21.32 o
0 10 1 1750.49 1791.16 19.34 o
0 10 2 173.38 157.06 3.36 o
0 10 3 117.69 114.22 2.97 o
0 10 4 55.71 56.37 2.10 o
0 10 5 4.02 1.90 1.43 <
0 10 6 158.79 159.77 3.94 o
0 10 7 91.12 90.83 3.49 o
0 10 8 76.19 73.73 3.30 o
0 10 9 70.00 65.90 3.33 o
0 10 10 20.13 15.95 2.47 o
0 11 1 134.26 133.66 3.30 o
0 11 2 10.55 9.84 1.49 o
0 11 3 87.99 95.28 2.94 o
0 11 4 73.54 73.57 2.47 o
0 11 5 35.36 37.89 2.29 o
0 11 6 66.05 61.95 2.92 o
0 11 7 8.95 9.15 1.99 o
0 11 8 16.58 18.91 2.33 o
0 11 9 5.18 4.73 2.05 <
0 12 0 329.93 315.29 7.48 o
0 12 1 129.57 136.30 3.44 o
0 12 2 131.45 129.88 3.41 o
0 12 3 1.09 1.22 1.38 <
0 12 4 119.37 124.48 3.69 o
0 12 5 270.45 273.31 5.33 o
0 12 6 63.67 57.13 2.97 o
0 12 7 199.65 200.40 5.01 o
0 12 8 4.95 6.15 2.15 <
0 13 1 39.09 39.66 2.29 o
0 13 2 3.41 4.10 1.63 <
0 13 3 85.33 93.10 3.26 o
0 13 4 34.16 34.92 2.38 o
0 13 5 40.64 37.70 2.62 o
0 13 6 10.51 10.98 2.04 o
0 13 7 5.92 8.59 2.14 o
0 14 0 9.75 7.08 2.41 <
0 14 1 152.40 148.80 3.96 o
0 14 2 85.86 83.87 3.20 o
0 14 3 53.50 67.14 3.44 o
0 14 4 40.52 40.07 2.59 o
0 14 5 33.79 33.46 2.57 o
0 14 6 1.38 1.35 1.95 <
0 15 1 17.00 13.96 2.01 o
0 15 2 11.26 12.01 2.29 o
0 15 3 2.14 1.41 2.09 <
0 15 4 0.06 0.66 1.91 <
1 0 -13 137.25 165.84 5.50 o
1 0 -11 23.22 22.87 2.42 o
1 0 -9 100.46 103.36 2.90 o
1 0 -7 2523.36 2479.11 25.10 o
1 0 -5 313.99 285.72 3.81 o
1 0 -3 933.99 983.96 7.34 o
1 0 1 12809.50 12411.60 75.49 o
1 0 3 6483.99 6779.01 44.03 o
1 0 5 4470.11 4368.37 42.59 o
1 0 7 1361.30 1304.89 12.47 o
1 0 9 0.05 -0.69 1.01 <
1 0 11 160.54 197.97 4.46 o
1 1 -13 0.01 0.34 1.59 <
1 1 -12 370.53 378.30 5.40 o
1 1 -11 34.96 30.85 2.01 o
1 1 -10 7.25 6.63 1.04 o
1 1 -9 40.52 38.40 1.27 o
1 1 -8 59.19 57.04 1.52 o
1 1 -7 142.06 133.21 1.92 o
1 1 -6 45.18 38.21 1.18 o
1 1 -5 313.65 352.83 3.63 o
1 1 -4 34.09 34.49 0.71 o
1 1 -3 511.17 524.16 3.06 o
1 1 -2 911.55 909.39 4.45 o
1 1 -1 705.13 719.76 3.78 o
1 1 0 1232.55 1250.63 6.70 o
1 1 1 672.15 700.78 3.49 o
1 1 2 16.87 13.54 0.38 o
1 1 3 529.23 579.52 3.13 o
1 1 4 500.36 563.65 3.64 o
1 1 5 183.93 196.73 1.90 o
1 1 6 0.02 0.83 0.57 <
1 1 7 40.92 46.57 1.26 o
1 1 8 5.91 8.28 0.87 o
1 1 9 38.12 31.02 1.16 o
1 1 10 47.58 54.16 1.76 o
1 1 11 28.26 29.97 1.78 o
1 1 12 0.53 -0.39 1.57 <
1 2 -13 215.10 219.22 5.33 o
1 2 -12 26.06 28.71 1.99 o
1 2 -11 35.18 33.38 1.78 o
1 2 -10 0.30 -0.24 1.01 <
1 2 -9 7.23 7.25 0.88 o
1 2 -8 538.95 524.37 4.17 o
1 2 -7 245.85 220.70 2.37 o
1 2 -6 31.22 23.52 0.88 o
1 2 -5 641.17 629.80 4.69 o
1 2 -4 15.86 16.36 0.52 o
1 2 -3 1050.11 1061.40 6.12 o
1 2 -2 1068.16 1087.85 5.99 o
1 2 -1 3707.93 3706.41 20.49 o
1 2 0 14.44 10.21 0.48 o
1 2 1 6989.18 7117.24 36.43 o
1 2 2 4303.59 4484.75 21.35 o
1 2 3 2868.26 2954.37 14.23 o
1 2 4 1077.16 1177.44 7.70 o
1 2 5 520.33 461.46 3.73 o
1 2 6 600.19 544.96 4.36 o
1 2 7 254.07 241.44 2.56 o
1 2 8 2.50 2.62 0.93 <
1 2 9 237.59 241.03 3.13 o
1 2 10 0.48 -0.10 0.94 <
1 2 11 336.22 357.42 5.05 o
1 2 12 181.26 189.23 3.68 o
1 3 -13 5.49 3.26 1.82 <
1 3 -12 80.95 84.08 2.89 o
1 3 -11 18.67 15.99 1.45 o
1 3 -10 161.04 154.96 2.93 o
1 3 -9 0.01 2.12 1.08 <
1 3 -8 87.12 83.94 1.35 o
1 3 -7 989.60 963.64 7.63 o
1 3 -6 43.05 40.13 1.13 o
1 3 -5 526.08 510.90 4.01 o
1 3 -4 626.11 638.88 4.24 o
1 3 -3 527.24 542.98 3.30 o
1 3 -2 210.82 226.64 1.62 o
1 3 -1 275.91 304.34 2.18 o
1 3 0 60.48 61.54 0.79 o
1 3 1 1652.19 1727.23 10.18 o
1 3 2 22.26 28.16 0.52 o
1 3 3 313.01 320.60 2.12 o
1 3 4 24.38 24.81 0.74 o
1 3 5 169.40 178.74 1.97 o
1 3 6 14.16 14.51 0.87 o
1 3 7 109.07 102.16 1.85 o
1 3 8 109.92 109.02 2.19 o
1 3 9 3.84 2.59 0.98 <
1 3 10 13.26 13.01 1.40 o
1 3 11 116.64 117.01 3.10 o
1 3 12 0.36 3.01 1.57 <
1 4 -12 0.79 -2.90 1.44 <
1 4 -11 288.95 295.23 4.20 o
1 4 -10 0.10 -1.03 1.12 <
1 4 -9 632.52 622.01 6.22 o
1 4 -8 363.40 343.24 4.01 o
1 4 -7 448.80 438.49 4.38 o
1 4 -6 347.98 337.41 3.29 o
1 4 -5 2067.08 1995.81 13.43 o
1 4 -4 234.86 234.27 2.19 o
1 4 -3 499.04 467.68 3.22 o
1 4 -2 82.82 85.81 0.94 o
1 4 -1 185.82 221.20 1.71 o
1 4 0 40.90 42.12 0.75 o
1 4 1 21.51 31.51 0.62 o
1 4 2 154.83 166.43 1.31 o
1 4 3 2598.22 2644.92 14.26 o
1 4 4 0.20 1.47 0.48 o
1 4 5 664.88 644.50 4.94 o
1 4 6 48.40 33.04 1.12 o
1 4 7 93.40 102.39 1.90 o
1 4 8 71.08 68.32 1.75 o
1 4 9 562.45 580.63 6.56 o
1 4 10 7.07 6.87 1.34 o
1 4 11 163.57 159.98 3.61 o
1 4 12 304.35 312.01 5.05 o
1 5 -12 17.60 16.86 1.87 o
1 5 -11 23.61 21.80 1.68 o
1 5 -10 81.37 86.27 2.41 o
1 5 -9 41.02 42.38 1.75 o
1 5 -8 170.37 163.43 2.73 o
1 5 -7 32.10 30.53 1.33 o
1 5 -6 219.45 214.11 2.50 o
1 5 -5 19.41 15.72 0.80 o
1 5 -4 1079.22 1144.98 7.62 o
1 5 -3 29.65 30.43 0.74 o
1 5 -2 43.53 49.59 0.85 o
1 5 -1 0.02 0.22 0.38 <
1 5 0 190.42 199.37 1.90 o
1 5 1 22.23 25.97 0.65 o
1 5 2 72.66 99.38 1.08 o
1 5 3 9.85 9.39 0.51 o
1 5 4 0.73 0.82 0.51 <
1 5 5 157.47 149.45 1.72 o
1 5 6 118.31 123.82 1.95 o
1 5 7 9.41 10.15 0.97 o
1 5 8 85.80 88.84 2.01 o
1 5 9 85.05 75.03 2.46 o
1 5 10 249.69 237.33 4.09 o
1 5 11 98.57 102.91 3.06 o
1 5 12 217.23 218.15 4.80 o
1 6 -12 10.55 6.82 2.12 o
1 6 -11 95.91 89.87 3.22 o
1 6 -10 72.27 78.52 2.42 o
1 6 -9 426.65 423.85 5.31 o
1 6 -8 3.12 3.13 1.11 <
1 6 -7 296.45 313.55 4.04 o
1 6 -6 184.20 166.32 2.38 o
1 6 -5 1134.25 1096.79 8.38 o
1 6 -4 593.96 584.45 4.05 o
1 6 -3 1017.10 974.47 6.54 o
1 6 -2 0.94 4.08 0.43 o
1 6 -1 376.73 335.72 2.68 o
1 6 0 4.42 2.94 0.48 o
1 6 1 0.92 -0.03 0.39 <
1 6 2 462.54 450.27 3.27 o
1 6 3 297.84 318.66 2.47 o
1 6 4 667.83 573.99 4.18 o
1 6 5 158.09 157.58 1.89 o
1 6 6 2.21 1.22 0.80 <
1 6 7 10.21 15.66 1.10 o
1 6 8 239.50 239.75 3.47 o
1 6 9 178.93 184.13 3.57 o
1 6 10 167.07 165.85 3.63 o
1 6 11 152.46 137.05 3.55 o
1 7 -11 53.69 49.29 2.93 o
1 7 -10 57.65 48.49 2.79 o
1 7 -9 45.77 48.86 2.06 o
1 7 -8 295.04 275.31 4.00 o
1 7 -7 76.99 69.64 2.10 o
1 7 -6 406.35 408.02 4.26 o
1 7 -5 63.16 57.42 1.29 o
1 7 -4 239.95 247.01 2.19 o
1 7 -3 25.30 28.35 0.84 o
1 7 -2 57.46 49.70 1.01 o
1 7 -1 125.01 138.94 1.52 o
1 7 0 119.13 122.07 1.50 o
1 7 1 14.38 15.79 0.61 o
1 7 2 43.17 48.61 0.97 o
1 7 3 16.61 17.46 0.71 o
1 7 4 128.07 129.29 1.69 o
1 7 5 102.43 97.60 1.71 o
1 7 6 5.17 4.91 1.08 o
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1 7 8 6.43 6.13 1.40 o
1 7 9 0.00 -0.05 1.43 <
1 7 10 15.17 14.37 1.94 o
1 7 11 21.89 17.77 2.38 o
1 8 -11 24.51 15.44 2.34 o
1 8 -10 0.01 -1.34 1.73 <
1 8 -9 117.90 110.92 3.71 o
1 8 -8 53.06 44.76 2.45 o
1 8 -7 298.98 297.54 4.08 o
1 8 -6 156.48 144.28 2.69 o
1 8 -5 109.03 112.92 1.73 o
1 8 -4 313.33 315.40 2.80 o
1 8 -3 537.81 505.00 4.05 o
1 8 -2 78.84 72.08 1.35 o
1 8 -1 719.31 691.08 5.45 o
1 8 0 773.06 708.21 5.54 o
1 8 1 178.11 156.59 1.85 o
1 8 2 1717.12 1692.01 12.19 o
1 8 3 0.26 0.99 0.64 <
1 8 4 996.65 933.40 7.35 o
1 8 5 303.30 317.39 3.57 o
1 8 6 17.64 16.63 1.53 o
1 8 7 479.77 477.98 6.28 o
1 8 8 104.98 107.57 3.12 o
1 8 9 100.27 94.58 3.17 o
1 8 10 92.94 93.01 3.72 o
1 8 11 105.20 115.75 4.34 o
1 9 -10 38.34 36.12 2.75 o
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1 9 -7 145.50 126.96 3.61 o
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1 9 -3 94.75 89.39 1.58 o
1 9 -2 1.41 1.18 0.64 <
1 9 -1 162.32 159.71 1.99 o
1 9 0 0.21 0.93 0.70 <
1 9 1 53.56 47.35 1.35 o
1 9 2 121.35 117.54 1.75 o
1 9 3 9.17 7.21 0.89 o
1 9 4 60.05 55.92 1.81 o
1 9 5 189.54 186.25 3.48 o
1 9 6 1.35 1.25 1.22 <
1 9 7 0.04 -1.30 1.30 <
1 9 8 3.12 0.96 1.71 <
1 9 9 26.14 24.81 2.42 o
1 9 10 29.06 31.43 2.70 o
1 10 -10 0.06 -1.80 1.80 <
1 10 -9 1.17 2.69 1.83 <
1 10 -8 225.88 266.27 5.47 o
1 10 -7 311.69 309.94 5.72 o
1 10 -6 379.86 380.43 6.20 o
1 10 -5 40.02 42.71 1.97 o
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1 11 -9 3.61 2.54 2.00 <
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1 11 -1 26.92 29.16 1.86 o
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1 11 6 1.97 -0.18 1.63 <
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1 12 -7 0.94 1.83 1.82 <
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1 12 4 3.16 3.57 1.69 <
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1 12 8 1.39 -2.41 1.78 <
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1 13 -6 66.21 64.28 3.17 o
1 13 -5 37.17 34.58 2.54 o
1 13 -4 8.97 9.00 1.90 o
1 13 -3 133.91 134.71 3.76 o
1 13 -2 0.16 -2.14 1.47 <
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1 13 0 42.76 49.93 2.54 o
1 13 1 21.72 22.60 1.99 o
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1 13 3 0.51 -3.29 1.49 <
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1 13 5 16.50 10.28 1.96 o
1 13 6 44.87 39.85 2.76 o
1 13 7 0.29 -2.48 1.85 <
1 14 -6 190.49 205.80 5.73 o
1 14 -5 40.32 43.47 2.75 o
1 14 -4 113.22 112.57 3.81 o
1 14 -3 5.37 6.17 2.05 o
1 14 -2 8.26 7.62 1.83 o
1 14 -1 15.07 14.18 1.90 o
1 14 0 3.82 2.60 1.64 <
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1 14 2 79.27 76.31 3.61 o
1 14 3 64.80 65.06 3.06 o
1 14 4 160.86 176.23 4.64 o
1 14 5 3.51 3.07 1.86 <
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1 15 -2 0.41 -2.98 1.82 <
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