#------------------------------------------------------------------------------
#$Date: 2020-08-07 06:26:32 +0300 (Fri, 07 Aug 2020) $
#$Revision: 255165 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/1/55/88/1558816.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_1558816
_cell_angle_alpha                112.289
_cell_angle_beta                 92.827
_cell_angle_gamma                101.656
_cell_length_a                   7.1910
_cell_length_b                   8.6980
_cell_length_c                   10.9870
_exptl_crystal_F_000             330.00
_reflns_d_resolution_high        0.7951
_cod_data_source_file            wm4132Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' I'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            165.33
_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 1319.59 1282.08 5.48 o
2 0 0 262.05 242.70 2.96 o
3 0 0 929.40 991.79 33.88 o
4 0 0 191.26 166.10 5.36 o
5 0 0 347.75 284.01 10.58 o
6 0 0 339.10 332.65 12.55 o
7 0 0 82.92 86.29 4.09 o
8 0 0 82.78 79.61 12.24 o
-8 1 0 77.86 85.81 4.25 o
-7 1 0 58.21 60.60 4.96 o
-6 1 0 409.19 428.22 12.94 o
-5 1 0 743.31 708.60 16.54 o
-4 1 0 1297.54 1377.73 31.47 o
-3 1 0 153.04 149.47 8.33 o
-2 1 0 448.98 415.99 7.59 o
-1 1 0 1788.52 1626.30 40.22 o
0 1 0 1215.58 1306.43 6.01 o
1 1 0 1782.95 1705.71 11.34 o
2 1 0 1163.08 1179.48 12.97 o
3 1 0 2958.04 2986.77 26.89 o
4 1 0 385.67 320.18 10.09 o
5 1 0 157.51 178.05 6.94 o
6 1 0 22.20 25.81 4.47 o
7 1 0 43.57 38.88 3.18 o
8 1 0 2.93 0.09 2.95 o
-8 2 0 81.95 82.06 4.37 o
-7 2 0 108.76 110.58 5.73 o
-6 2 0 111.60 123.12 9.77 o
-5 2 0 22.26 28.03 5.77 o
-4 2 0 448.67 444.44 13.44 o
-3 2 0 1152.42 1194.97 12.33 o
-2 2 0 1104.00 1077.14 13.28 o
-1 2 0 3700.43 3764.62 18.39 o
0 2 0 365.42 366.57 5.83 o
1 2 0 189.02 174.37 2.13 o
2 2 0 240.78 241.52 5.19 o
3 2 0 1302.94 1219.12 33.90 o
4 2 0 518.71 457.82 26.72 o
5 2 0 58.45 59.60 12.25 o
6 2 0 103.06 104.86 14.64 o
7 2 0 66.94 62.87 6.33 o
8 2 0 9.35 4.16 2.45 o
-8 3 0 29.15 27.67 3.15 o
-7 3 0 42.31 48.48 4.86 o
-6 3 0 444.87 467.93 11.90 o
-5 3 0 464.00 507.13 16.09 o
-4 3 0 428.30 452.63 20.89 o
-3 3 0 1242.98 1284.06 14.00 o
-2 3 0 209.52 187.75 10.99 o
-1 3 0 666.49 622.14 12.32 o
0 3 0 2240.70 2317.24 24.35 o
1 3 0 1651.23 1646.02 15.60 o
2 3 0 404.41 397.89 13.28 o
3 3 0 1356.97 1359.22 16.64 o
4 3 0 398.96 409.92 35.41 o
5 3 0 150.92 153.95 10.21 o
6 3 0 32.51 25.19 6.32 o
7 3 0 39.16 38.24 4.32 o
-8 4 0 105.29 113.76 8.49 o
-7 4 0 41.86 40.48 4.27 o
-6 4 0 69.41 79.89 5.88 o
-5 4 0 1701.72 1910.00 22.28 o
-4 4 0 1073.49 1053.55 14.83 o
-3 4 0 1074.62 1108.09 14.24 o
-2 4 0 2933.09 3058.56 18.42 o
-1 4 0 1011.30 968.67 66.90 o
0 4 0 137.37 146.93 5.32 o
1 4 0 456.18 458.17 10.73 o
2 4 0 201.10 186.53 15.34 o
3 4 0 932.40 994.64 45.43 o
4 4 0 272.55 269.61 13.40 o
5 4 0 45.44 50.26 6.89 o
6 4 0 233.18 251.56 11.50 o
7 4 0 1.14 0.12 1.96 o
-8 5 0 90.01 84.96 3.64 o
-7 5 0 45.15 52.41 6.30 o
-6 5 0 94.39 102.49 14.24 o
-5 5 0 98.76 104.02 11.08 o
-4 5 0 265.75 256.29 8.34 o
-3 5 0 709.42 771.42 12.95 o
-2 5 0 745.99 778.59 32.84 o
-1 5 0 88.80 63.12 4.61 o
0 5 0 1139.60 1124.40 35.55 o
1 5 0 536.52 511.43 12.91 o
2 5 0 419.32 469.09 20.45 o
3 5 0 8.30 10.21 4.34 o
4 5 0 21.11 20.22 5.55 o
5 5 0 38.69 41.86 3.94 o
6 5 0 41.66 37.22 3.45 o
-8 6 0 47.06 45.54 5.05 o
-7 6 0 4.65 2.95 3.99 o
-6 6 0 85.73 87.37 6.94 o
-5 6 0 244.41 230.72 8.67 o
-4 6 0 200.71 202.54 14.98 o
-3 6 0 78.72 81.78 8.49 o
-2 6 0 82.43 91.44 11.66 o
-1 6 0 193.41 221.13 10.57 o
0 6 0 292.80 315.21 17.01 o
1 6 0 367.15 385.41 10.26 o
2 6 0 160.43 177.99 7.86 o
3 6 0 61.99 64.18 5.44 o
4 6 0 68.00 74.20 7.47 o
5 6 0 27.98 25.93 2.96 o
-7 7 0 24.55 22.50 2.70 o
-6 7 0 77.12 77.33 4.57 o
-5 7 0 208.39 214.18 9.63 o
-4 7 0 110.42 101.40 8.38 o
-3 7 0 17.03 21.53 7.10 o
-2 7 0 261.08 253.50 8.66 o
-1 7 0 435.99 438.17 11.35 o
0 7 0 480.81 498.09 32.48 o
1 7 0 74.35 67.00 5.22 o
2 7 0 37.47 42.48 4.91 o
3 7 0 48.27 50.01 3.60 o
4 7 0 75.39 80.78 4.02 o
-6 8 0 126.17 120.50 6.37 o
-5 8 0 150.51 139.30 8.82 o
-4 8 0 115.78 112.12 9.22 o
-3 8 0 34.14 43.68 6.88 o
-2 8 0 221.59 219.90 8.13 o
-1 8 0 179.28 188.00 35.75 o
0 8 0 26.53 29.33 6.17 o
1 8 0 275.35 301.53 9.10 o
2 8 0 35.57 33.95 4.51 o
-5 9 0 63.72 67.30 4.98 o
-4 9 0 38.93 44.21 5.55 o
-3 9 0 127.88 135.73 8.58 o
-2 9 0 55.15 56.73 11.45 o
-1 9 0 16.78 13.31 4.98 o
0 9 0 20.75 21.64 4.61 o
1 9 0 57.52 55.77 5.91 o
0 -10 1 12.52 15.18 3.88 o
1 -10 1 43.48 41.55 3.99 o
2 -10 1 63.79 39.95 4.14 o
3 -10 1 6.00 13.33 4.91 o
4 -10 1 21.41 16.73 3.44 o
-2 -9 1 69.74 57.98 5.03 o
-1 -9 1 3.26 -1.67 5.44 o
0 -9 1 47.37 53.87 6.59 o
1 -9 1 91.26 111.13 19.06 o
2 -9 1 107.10 109.36 5.62 o
3 -9 1 12.29 9.50 5.69 o
4 -9 1 57.91 48.91 6.06 o
5 -9 1 57.11 55.81 5.42 o
6 -9 1 79.95 64.65 3.75 o
-3 -8 1 30.71 30.13 3.62 o
-2 -8 1 149.07 154.31 7.10 o
-1 -8 1 51.07 44.59 4.62 o
0 -8 1 113.75 115.42 9.75 o
1 -8 1 299.88 309.32 29.44 o
2 -8 1 169.29 174.05 7.47 o
3 -8 1 146.88 136.95 9.99 o
4 -8 1 89.47 77.38 7.63 o
5 -8 1 70.69 74.73 4.72 o
6 -8 1 65.36 69.94 3.86 o
-4 -7 1 62.73 61.42 4.17 o
-3 -7 1 55.33 59.25 3.88 o
-2 -7 1 152.77 151.98 7.62 o
-1 -7 1 151.17 143.16 7.30 o
0 -7 1 129.60 123.15 6.02 o
1 -7 1 447.51 427.99 10.77 o
2 -7 1 386.72 421.39 11.15 o
3 -7 1 78.70 92.14 8.35 o
4 -7 1 430.66 368.03 15.26 o
5 -7 1 272.20 251.50 9.20 o
6 -7 1 21.79 23.78 3.84 o
7 -7 1 8.46 12.65 3.39 o
-6 -6 1 70.86 49.53 3.13 o
-5 -6 1 42.25 43.60 14.47 o
-4 -6 1 39.18 30.58 4.27 o
-3 -6 1 169.33 154.75 19.93 o
-2 -6 1 137.39 130.08 9.03 o
-1 -6 1 299.16 346.97 9.36 o
0 -6 1 335.14 303.66 10.05 o
1 -6 1 55.95 45.97 4.97 o
2 -6 1 109.14 115.95 3.89 o
3 -6 1 82.37 95.60 6.83 o
4 -6 1 172.49 180.99 10.43 o
5 -6 1 987.73 976.26 16.76 o
6 -6 1 29.16 31.39 5.85 o
7 -6 1 17.15 11.90 4.19 o
8 -6 1 13.74 13.22 2.29 o
-6 -5 1 3.05 1.73 2.85 o
-5 -5 1 7.57 4.99 4.02 o
-4 -5 1 111.51 111.41 9.24 o
-3 -5 1 535.49 578.26 60.76 o
-2 -5 1 232.94 236.25 9.93 o
-1 -5 1 347.38 331.42 10.31 o
0 -5 1 67.18 64.90 4.19 o
1 -5 1 2079.84 2125.73 21.75 o
2 -5 1 120.00 102.01 4.29 o
3 -5 1 74.99 74.41 4.26 o
4 -5 1 995.95 1018.59 16.02 o
5 -5 1 164.40 183.34 7.34 o
6 -5 1 14.03 12.34 6.06 o
7 -5 1 193.29 191.16 6.90 o
8 -5 1 143.06 157.86 7.04 o
-7 -4 1 76.38 74.46 4.81 o
-6 -4 1 6.89 6.64 3.61 o
-5 -4 1 46.61 59.88 6.90 o
-4 -4 1 418.20 426.27 15.88 o
-3 -4 1 339.89 332.28 8.35 o
-2 -4 1 949.77 911.87 25.89 o
-1 -4 1 1174.47 1061.12 18.92 o
0 -4 1 721.84 778.19 13.37 o
1 -4 1 1009.54 1036.23 57.31 o
2 -4 1 2855.55 2750.10 147.47 o
3 -4 1 700.16 700.58 40.74 o
4 -4 1 622.16 618.32 25.60 o
5 -4 1 117.31 128.93 6.87 o
6 -4 1 336.88 339.20 10.21 o
7 -4 1 133.79 139.89 6.58 o
8 -4 1 76.85 78.05 3.78 o
-7 -3 1 56.07 52.04 5.49 o
-6 -3 1 149.36 159.57 8.07 o
-5 -3 1 172.50 178.66 14.35 o
-4 -3 1 469.31 454.55 11.28 o
-3 -3 1 566.67 545.21 9.72 o
-2 -3 1 94.14 84.69 5.89 o
-1 -3 1 1722.00 1696.71 40.23 o
0 -3 1 4759.30 4811.81 29.60 o
1 -3 1 2389.26 2502.98 11.33 o
2 -3 1 1087.27 1136.74 57.32 o
3 -3 1 415.17 372.55 15.58 o
4 -3 1 418.56 440.60 24.03 o
5 -3 1 242.88 248.25 11.76 o
6 -3 1 57.06 64.93 8.21 o
7 -3 1 121.61 123.22 8.09 o
8 -3 1 59.96 61.79 3.77 o
-8 -2 1 14.80 5.18 2.60 o
-7 -2 1 74.44 85.33 5.91 o
-6 -2 1 121.45 121.73 10.57 o
-5 -2 1 263.61 260.56 19.80 o
-4 -2 1 243.65 226.63 6.72 o
-3 -2 1 230.76 210.05 8.54 o
-2 -2 1 544.29 517.53 10.57 o
-1 -2 1 93.87 102.80 3.95 o
0 -2 1 3722.14 3740.75 16.68 o
1 -2 1 2124.66 2291.80 11.80 o
2 -2 1 2311.15 1996.56 102.86 o
3 -2 1 56.10 53.80 2.28 o
4 -2 1 213.68 226.46 13.56 o
5 -2 1 490.53 504.60 14.48 o
6 -2 1 83.48 96.06 5.99 o
7 -2 1 15.90 19.04 6.29 o
8 -2 1 52.77 50.70 4.09 o
-8 -1 1 64.87 61.54 3.11 o
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-5 -1 1 6.23 7.14 8.02 o
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-3 -1 1 1074.00 1088.09 17.81 o
-2 -1 1 525.97 499.76 11.20 o
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0 -1 1 3590.40 3630.54 19.47 o
1 -1 1 536.95 494.34 15.06 o
2 -1 1 3570.43 3454.58 19.30 o
3 -1 1 3071.26 2979.64 17.47 o
4 -1 1 21.13 15.54 2.20 o
5 -1 1 939.34 932.22 18.15 o
6 -1 1 220.15 246.77 8.51 o
7 -1 1 148.18 139.16 6.38 o
8 -1 1 10.27 15.06 2.92 o
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-5 0 1 250.63 277.80 10.88 o
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-3 0 1 4055.07 3730.01 178.61 o
-2 0 1 1862.85 1725.98 71.51 o
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0 0 1 190.91 214.06 2.42 o
1 0 1 4668.87 4357.09 48.09 o
2 0 1 518.53 488.79 6.20 o
3 0 1 624.04 628.04 22.04 o
4 0 1 2033.32 1939.04 147.33 o
5 0 1 924.31 773.91 36.42 o
6 0 1 179.95 178.81 7.59 o
7 0 1 18.32 22.13 3.08 o
8 0 1 14.54 7.07 3.64 o
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-5 1 1 188.23 185.41 8.74 o
-4 1 1 624.92 602.76 13.06 o
-3 1 1 871.24 970.95 11.11 o
-2 1 1 1342.00 1281.42 44.32 o
-1 1 1 10017.44 9159.10 97.38 o
0 1 1 5810.14 6145.41 77.56 o
1 1 1 99.11 151.29 2.16 o
2 1 1 302.57 331.66 6.88 o
3 1 1 343.17 342.96 6.29 o
4 1 1 497.57 465.46 12.65 o
5 1 1 506.80 576.18 17.50 o
6 1 1 62.05 73.33 6.61 o
7 1 1 4.17 6.00 3.31 o
8 1 1 39.56 29.34 2.87 o
-8 2 1 46.68 51.23 3.91 o
-7 2 1 145.28 155.88 6.70 o
-6 2 1 12.31 14.60 4.06 o
-5 2 1 183.45 194.52 9.71 o
-4 2 1 819.70 832.30 17.93 o
-3 2 1 2297.12 2290.19 26.31 o
-2 2 1 39.25 42.61 3.88 o
-1 2 1 135.78 130.24 1.82 o
0 2 1 1854.42 1820.07 7.88 o
1 2 1 814.51 744.21 9.93 o
2 2 1 636.22 636.54 30.69 o
3 2 1 864.77 890.85 35.04 o
4 2 1 62.80 53.43 3.72 o
5 2 1 75.63 103.45 7.94 o
6 2 1 166.76 163.79 6.91 o
7 2 1 10.11 6.02 4.27 o
-8 3 1 100.99 110.31 6.25 o
-7 3 1 4.59 1.95 3.68 o
-6 3 1 48.02 49.55 10.16 o
-5 3 1 411.05 474.74 16.81 o
-4 3 1 271.67 284.29 15.28 o
-3 3 1 780.19 763.71 16.18 o
-2 3 1 3259.08 3488.10 79.40 o
-1 3 1 320.77 268.51 5.52 o
0 3 1 1792.92 1879.51 53.77 o
1 3 1 655.03 628.51 7.41 o
2 3 1 1670.75 1658.51 46.48 o
3 3 1 334.03 328.75 7.46 o
4 3 1 56.81 75.53 7.34 o
5 3 1 81.06 84.07 5.53 o
6 3 1 200.46 187.78 10.68 o
7 3 1 7.97 6.78 2.62 o
-8 4 1 43.45 48.17 3.44 o
-7 4 1 103.90 103.11 8.16 o
-6 4 1 1066.28 1195.40 42.84 o
-5 4 1 85.35 102.96 6.26 o
-4 4 1 492.00 497.58 15.17 o
-3 4 1 580.45 669.56 16.02 o
-2 4 1 18.93 18.03 1.52 o
-1 4 1 1336.72 1302.90 12.31 o
0 4 1 2028.09 2089.42 15.49 o
1 4 1 1066.75 1061.60 69.66 o
2 4 1 1033.16 1084.42 12.43 o
3 4 1 181.56 197.46 6.84 o
4 4 1 149.93 153.92 6.98 o
5 4 1 217.97 214.85 12.59 o
6 4 1 18.87 15.60 4.32 o
-8 5 1 21.67 22.22 2.54 o
-7 5 1 30.28 22.32 4.69 o
-6 5 1 238.31 250.41 8.59 o
-5 5 1 490.89 486.68 29.15 o
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-2 5 1 175.06 161.10 18.10 o
-1 5 1 47.16 38.97 4.06 o
0 5 1 466.21 458.37 10.80 o
1 5 1 307.86 288.12 7.18 o
2 5 1 77.18 76.36 5.70 o
3 5 1 218.23 245.83 9.23 o
4 5 1 65.43 54.98 4.53 o
5 5 1 58.11 54.88 3.98 o
6 5 1 27.84 19.70 6.09 o
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-2 6 1 223.10 225.87 7.91 o
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0 6 1 337.29 362.69 37.71 o
1 6 1 363.89 377.28 14.13 o
2 6 1 11.88 19.18 4.73 o
3 6 1 36.27 42.71 3.86 o
4 6 1 32.84 30.05 3.96 o
5 6 1 23.49 25.19 3.72 o
-7 7 1 69.90 57.58 2.61 o
-6 7 1 61.04 53.70 3.58 o
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-2 7 1 148.45 153.04 18.98 o
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0 7 1 95.33 90.58 7.14 o
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2 7 1 28.45 30.00 3.39 o
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-6 8 1 21.63 17.98 3.50 o
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-3 8 1 291.70 278.53 12.80 o
-2 8 1 169.79 168.24 7.08 o
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0 8 1 373.53 385.39 15.57 o
1 8 1 8.01 9.98 6.04 o
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0 -10 2 40.76 52.92 4.98 o
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1 -7 2 652.98 686.80 18.58 o
2 -7 2 393.34 394.74 42.81 o
3 -7 2 91.46 90.07 5.47 o
4 -7 2 30.86 33.32 6.61 o
5 -7 2 146.06 145.29 6.79 o
6 -7 2 140.65 152.51 12.27 o
7 -7 2 69.93 78.90 6.13 o
-6 -6 2 4.13 2.38 2.84 o
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-2 -6 2 172.30 193.59 5.88 o
-1 -6 2 11.32 15.16 4.19 o
0 -6 2 298.47 300.55 11.24 o
1 -6 2 1107.47 1085.53 35.69 o
2 -6 2 308.80 283.09 12.56 o
3 -6 2 427.80 438.11 9.54 o
4 -6 2 866.08 851.94 20.20 o
5 -6 2 145.65 148.32 9.31 o
6 -6 2 49.58 57.48 7.32 o
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3 -5 2 320.71 290.63 24.43 o
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6 -5 2 109.77 110.54 6.31 o
7 -5 2 41.35 43.35 3.98 o
8 -5 2 3.82 -0.40 2.40 o
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-2 -3 13 129.32 129.19 6.11 o
-1 -3 13 200.58 209.43 8.47 o
0 -3 13 22.92 32.20 3.99 o
1 -3 13 58.58 68.85 5.22 o
2 -3 13 20.83 20.30 3.50 o
-2 -2 13 74.44 63.90 3.88 o
-1 -2 13 51.84 39.55 3.70 o
0 -2 13 95.77 72.77 4.87 o
1 -2 13 23.10 17.76 3.68 o
-2 -1 13 44.18 41.64 3.31 o