#------------------------------------------------------------------------------
#$Date: 2016-04-06 14:21:12 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181861 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/1/54/28/1542881.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_1542881
_cell_angle_alpha                92.925
_cell_angle_beta                 90.620
_cell_angle_gamma                94.710
_cell_length_a                   3.9283
_cell_length_b                   5.9578
_cell_length_c                   15.1246
_exptl_crystal_F_000             212.00
_reflns_d_resolution_high        0.8537
_cod_data_source_file            hb4022Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' feb_suchetan_m2_0m_a.res in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            82.03
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_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 0 127.20 124.38 27.50 o
2 0 0 29.88 23.85 23.13 o
3 0 0 631.46 614.57 15.25 o
4 0 0 771.68 717.71 35.29 o
-4 1 0 0.19 0.59 0.61 o
-3 1 0 55.12 51.80 2.10 o
-1 1 0 2237.28 2255.66 189.69 o
0 1 0 259.16 310.76 14.94 o
1 1 0 206.79 238.76 19.09 o
2 1 0 5642.43 4913.12 236.96 o
3 1 0 100.77 98.13 4.26 o
4 1 0 38.43 38.66 2.17 o
-4 2 0 352.95 352.69 10.46 o
-3 2 0 169.02 190.88 5.17 o
-2 2 0 1.59 0.80 0.35 o
-1 2 0 341.35 293.35 21.31 o
0 2 0 2536.47 3193.34 137.92 o
1 2 0 210.89 201.87 27.83 o
2 2 0 1.74 4.69 0.81 o
3 2 0 513.45 545.70 16.19 o
4 2 0 247.14 201.91 11.32 o
-4 3 0 0.52 2.01 0.66 o
-3 3 0 654.83 700.66 15.70 o
-2 3 0 951.32 923.87 22.70 o
-1 3 0 104.84 122.95 4.57 o
0 3 0 340.41 298.64 34.58 o
1 3 0 825.74 733.33 17.92 o
2 3 0 392.57 422.52 10.91 o
3 3 0 27.66 27.04 1.66 o
-3 4 0 17.32 20.90 1.14 o
-2 4 0 634.48 689.18 15.41 o
-1 4 0 903.07 840.55 20.75 o
0 4 0 937.35 859.86 22.89 o
1 4 0 157.60 167.24 4.25 o
2 4 0 616.74 681.69 17.27 o
3 4 0 217.01 226.58 9.84 o
-3 5 0 291.54 286.72 8.67 o
-2 5 0 264.36 288.03 8.91 o
-1 5 0 0.48 0.73 0.51 o
0 5 0 1417.26 1440.51 35.23 o
1 5 0 501.11 521.11 11.92 o
2 5 0 91.82 97.88 3.16 o
-2 6 0 473.76 453.67 20.33 o
-1 6 0 525.36 542.01 15.76 o
0 6 0 52.22 53.73 1.98 o
1 6 0 38.35 37.63 1.84 o
2 6 0 325.55 237.50 13.18 o
-2 -6 1 202.20 169.14 9.23 o
-1 -6 1 593.14 558.87 14.16 o
0 -6 1 13.51 13.64 1.21 o
1 -6 1 204.51 211.49 6.60 o
2 -6 1 285.85 285.47 8.79 o
-2 -5 1 48.42 47.91 1.92 o
-1 -5 1 506.20 527.80 13.47 o
0 -5 1 584.96 605.37 15.28 o
1 -5 1 331.07 349.99 9.38 o
2 -5 1 63.91 66.97 2.70 o
3 -5 1 276.44 265.66 6.54 o
-3 -4 1 219.59 238.70 9.21 o
-2 -4 1 275.08 300.94 8.12 o
-1 -4 1 65.49 61.94 1.98 o
0 -4 1 6.23 10.10 0.82 o
1 -4 1 1154.95 1121.81 31.79 o
2 -4 1 834.02 812.70 18.03 o
3 -4 1 15.68 16.40 1.01 o
-3 -3 1 10.35 10.45 1.80 o
-2 -3 1 194.19 193.09 5.39 o
-1 -3 1 1967.05 1837.47 39.08 o
0 -3 1 266.43 238.94 32.60 o
1 -3 1 9.41 11.21 0.90 o
2 -3 1 429.39 432.79 10.90 o
3 -3 1 757.25 823.88 20.47 o
4 -3 1 402.20 395.68 11.61 o
-4 -2 1 28.09 29.36 3.06 o
-3 -2 1 2521.88 2448.66 76.52 o
-2 -2 1 188.30 159.75 4.46 o
-1 -2 1 10.26 14.40 4.86 o
0 -2 1 2621.13 2963.21 133.17 o
1 -2 1 6728.59 5594.28 191.87 o
2 -2 1 70.29 55.26 1.75 o
3 -2 1 2.01 3.24 0.54 o
4 -2 1 250.27 264.15 8.50 o
-4 -1 1 231.27 201.91 11.15 o
-3 -1 1 31.01 32.83 1.99 o
-2 -1 1 144.66 124.20 5.15 o
0 -1 1 137.61 152.70 10.52 o
1 -1 1 3.28 1.72 3.77 o
3 -1 1 1604.78 1714.24 48.11 o
4 -1 1 4.70 5.67 0.83 o
-4 0 1 25.39 26.18 2.22 o
-3 0 1 1548.35 1480.79 36.02 o
-2 0 1 786.80 705.13 113.00 o
-1 0 1 209.86 271.17 45.77 o
2 0 1 224.76 169.74 48.95 o
3 0 1 203.96 214.32 5.79 o
4 0 1 370.18 322.71 11.95 o
-4 1 1 35.98 39.58 2.05 o
-3 1 1 35.09 37.40 1.69 o
-1 1 1 1543.69 1905.28 79.55 o
0 1 1 74.49 85.71 7.30 o
1 1 1 12.10 7.73 4.91 o
2 1 1 1322.08 1187.17 34.08 o
4 1 1 1.82 1.50 0.84 o
-4 2 1 381.42 398.62 11.72 o
-3 2 1 534.71 560.24 13.99 o
-2 2 1 149.47 168.31 4.45 o
-1 2 1 970.22 746.63 43.82 o
0 2 1 1882.88 2175.83 99.82 o
1 2 1 551.66 599.41 66.38 o
2 2 1 127.44 118.51 3.49 o
3 2 1 231.38 249.38 7.95 o
4 2 1 334.43 274.34 14.80 o
-4 3 1 1.69 2.62 0.70 o
-3 3 1 658.54 696.85 17.40 o
-2 3 1 964.54 952.92 23.42 o
-1 3 1 1234.48 1067.28 62.09 o
0 3 1 325.01 341.39 36.62 o
1 3 1 1955.78 1825.41 41.28 o
2 3 1 621.09 646.44 19.01 o
3 3 1 103.96 110.51 7.90 o
-3 4 1 210.85 241.31 6.52 o
-2 4 1 5.90 6.77 0.66 o
-1 4 1 2235.81 2164.46 52.57 o
0 4 1 822.56 746.12 18.51 o
1 4 1 157.62 162.76 4.68 o
2 4 1 47.97 53.56 2.19 o
3 4 1 451.58 461.05 13.65 o
-3 5 1 431.59 405.60 17.97 o
-2 5 1 650.73 686.42 20.00 o
-1 5 1 29.92 30.63 1.48 o
0 5 1 126.34 128.79 4.51 o
1 5 1 793.17 835.97 20.94 o
2 5 1 234.43 240.18 6.61 o
-2 6 1 255.07 247.92 7.53 o
-1 6 1 422.76 451.75 13.27 o
0 6 1 483.32 490.44 13.64 o
1 6 1 52.06 55.07 2.83 o
-2 -6 2 215.10 173.81 10.37 o
-1 -6 2 294.41 288.18 7.55 o
0 -6 2 93.41 91.95 2.89 o
1 -6 2 120.81 122.66 5.17 o
2 -6 2 342.60 324.51 12.90 o
-2 -5 2 7.83 8.29 0.89 o
-1 -5 2 10.22 13.58 1.10 o
0 -5 2 902.99 912.32 22.62 o
1 -5 2 789.03 745.61 16.85 o
2 -5 2 70.34 67.66 2.53 o
3 -5 2 222.66 214.93 6.01 o
-3 -4 2 103.46 105.53 4.02 o
-2 -4 2 1030.59 1101.28 38.57 o
-1 -4 2 170.24 155.71 3.66 o
0 -4 2 10.26 11.47 0.88 o
1 -4 2 599.91 592.71 14.84 o
2 -4 2 1036.65 1025.84 22.60 o
3 -4 2 635.42 641.83 16.10 o
-3 -3 2 78.51 87.84 4.31 o
-2 -3 2 0.04 1.12 0.47 o
-1 -3 2 1425.29 1258.75 26.86 o
0 -3 2 4671.01 4319.86 202.61 o
1 -3 2 74.74 51.33 2.40 o
2 -3 2 4.30 3.94 0.45 o
3 -3 2 489.27 558.45 14.12 o
4 -3 2 309.68 312.64 9.29 o
-4 -2 2 19.71 17.50 2.40 o
-3 -2 2 101.10 109.40 7.07 o
-2 -2 2 5808.51 5381.99 169.52 o
-1 -2 2 131.64 110.99 12.21 o
0 -2 2 4.49 4.35 5.57 o
1 -2 2 1409.75 1260.52 59.08 o
2 -2 2 2226.62 2104.38 45.43 o
3 -2 2 5.07 5.83 0.89 o
4 -2 2 73.33 71.02 2.72 o
-4 -1 2 443.17 419.58 21.57 o
-3 -1 2 177.02 184.89 10.61 o
-2 -1 2 1.53 4.96 0.89 o
-1 -1 2 392.29 384.95 28.11 o
0 -1 2 6426.74 5312.11 320.87 o
1 -1 2 279.32 252.57 14.37 o
2 -1 2 808.52 762.96 23.06 o
3 -1 2 680.46 738.77 18.29 o
4 -1 2 125.87 119.60 4.07 o
-3 0 2 377.25 353.94 9.00 o
-1 0 2 4.72 3.30 3.42 o
0 0 2 377.96 434.26 15.94 o
1 0 2 2939.52 3031.48 339.11 o
2 0 2 193.51 148.83 43.80 o
3 0 2 0.37 1.04 0.77 o
4 0 2 308.45 286.47 12.19 o
-4 1 2 216.78 212.07 6.52 o
-3 1 2 87.37 97.94 2.87 o
-2 1 2 1117.71 1046.81 36.09 o
-1 1 2 2505.44 2907.11 113.86 o
0 1 2 647.89 742.24 26.91 o
1 1 2 339.82 324.50 27.20 o
2 1 2 1110.36 974.91 29.30 o
3 1 2 889.33 866.74 21.48 o
4 1 2 19.96 19.83 1.98 o
-4 2 2 401.85 422.10 12.33 o
-3 2 2 657.32 713.18 20.44 o
-2 2 2 915.16 863.62 21.34 o
-1 2 2 334.21 371.31 37.12 o
0 2 2 3933.76 4363.66 246.79 o
1 2 2 1139.55 1209.61 118.30 o
2 2 2 293.06 284.83 8.39 o
3 2 2 149.12 151.39 5.26 o
4 2 2 283.81 228.75 12.52 o
-4 3 2 95.39 98.74 3.40 o
-3 3 2 25.88 27.67 1.53 o
-2 3 2 2057.03 2019.25 48.99 o
-1 3 2 846.54 802.72 36.50 o
0 3 2 120.80 108.98 19.41 o
1 3 2 70.48 63.78 2.08 o
2 3 2 1242.82 1372.03 47.20 o
3 3 2 112.16 129.46 4.60 o
-3 4 2 558.80 598.07 15.08 o
-2 4 2 0.09 0.38 0.47 o
-1 4 2 280.57 279.52 8.63 o
0 4 2 1427.22 1338.40 37.85 o
1 4 2 431.43 439.90 11.38 o
2 4 2 214.08 239.31 6.70 o
3 4 2 117.51 120.06 5.06 o
-3 5 2 302.44 291.76 8.71 o
-2 5 2 510.20 538.67 15.93 o
-1 5 2 749.67 766.48 19.23 o
0 5 2 260.57 277.61 8.67 o
1 5 2 726.01 762.73 17.19 o
2 5 2 436.74 462.62 10.71 o
-2 6 2 30.13 30.82 1.56 o
-1 6 2 436.71 449.21 11.46 o
0 6 2 710.04 724.24 18.02 o
1 6 2 307.86 300.28 11.18 o
-1 -6 3 470.61 458.33 11.61 o
0 -6 3 543.75 531.36 15.46 o
1 -6 3 99.08 101.14 4.43 o
2 -6 3 246.61 241.50 10.07 o
-2 -5 3 51.07 56.29 4.38 o
-1 -5 3 4.06 4.53 0.71 o
0 -5 3 470.00 494.30 12.58 o
1 -5 3 863.04 870.22 19.48 o
2 -5 3 681.22 673.10 17.27 o
3 -5 3 124.75 112.46 4.21 o
-3 -4 3 0.05 0.67 0.69 o
-2 -4 3 621.32 623.70 15.90 o
-1 -4 3 1862.73 1870.62 45.50 o
0 -4 3 52.54 44.41 1.66 o
1 -4 3 12.46 11.64 0.88 o
2 -4 3 619.92 670.26 16.79 o
3 -4 3 395.06 405.95 9.59 o
-3 -3 3 1546.37 1612.10 55.90 o
-2 -3 3 46.95 44.04 2.16 o
-1 -3 3 53.98 47.13 1.52 o
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2 -3 3 0.08 0.78 0.36 o
3 -3 3 226.14 237.52 6.43 o
4 -3 3 171.53 170.95 5.35 o
-4 -2 3 27.14 29.06 2.70 o
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0 -2 3 122.80 145.26 22.08 o
1 -2 3 1921.23 1768.28 157.96 o
2 -2 3 985.85 982.62 21.50 o
3 -2 3 157.57 165.67 4.62 o
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-3 -1 3 187.83 193.28 10.91 o
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0 -1 3 3530.46 3513.09 101.45 o
1 -1 3 88.82 87.42 9.44 o
2 -1 3 1.54 1.58 0.36 o
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4 -1 3 386.31 371.77 12.33 o
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-2 0 3 1607.35 1396.53 68.00 o
-1 0 3 536.01 594.27 31.02 o
0 0 3 403.85 436.42 18.54 o
1 0 3 2998.36 2664.63 116.30 o
2 0 3 1826.05 1674.01 46.77 o
3 0 3 35.95 37.33 1.81 o
4 0 3 92.49 90.18 7.55 o
-4 1 3 298.17 289.81 10.68 o
-3 1 3 349.73 357.59 9.11 o
-2 1 3 207.65 210.76 8.42 o
-1 1 3 3757.79 3692.83 279.65 o
0 1 3 1218.60 1311.32 53.39 o
1 1 3 628.56 590.25 40.48 o
2 1 3 414.69 360.91 8.48 o
3 1 3 811.40 796.38 20.45 o
4 1 3 83.14 84.66 5.03 o
-4 2 3 43.42 42.06 1.89 o
-3 2 3 1156.80 1280.08 36.15 o
-2 2 3 572.33 548.37 15.71 o
-1 2 3 0.79 0.03 2.82 o
0 2 3 116.12 117.39 16.02 o
1 2 3 2552.61 2431.58 314.97 o
2 2 3 132.46 132.02 4.26 o
3 2 3 1.84 2.83 0.82 o
-4 3 3 360.61 354.58 10.38 o
-3 3 3 33.73 41.10 1.93 o
-2 3 3 448.95 418.21 10.57 o
-1 3 3 1824.65 1643.13 43.33 o
0 3 3 608.42 539.17 17.51 o
1 3 3 1114.00 1087.34 30.75 o
2 3 3 394.86 421.26 12.90 o
3 3 3 368.82 424.33 12.88 o
-3 4 3 459.46 486.36 12.42 o
-2 4 3 843.54 813.08 23.38 o
-1 4 3 692.49 685.10 17.20 o
0 4 3 1513.33 1379.95 39.03 o
1 4 3 1084.94 1177.52 29.10 o
2 4 3 136.66 153.03 4.64 o
3 4 3 357.86 373.55 13.66 o
-3 5 3 71.26 74.23 2.74 o
-2 5 3 445.02 449.25 17.94 o
-1 5 3 1216.36 1229.64 30.37 o
0 5 3 480.68 496.77 12.76 o
1 5 3 547.75 584.79 14.99 o
2 5 3 462.21 479.95 11.06 o
-2 6 3 113.63 106.74 5.97 o
-1 6 3 404.32 427.90 12.70 o
0 6 3 45.61 47.13 2.57 o
1 6 3 670.20 670.36 23.70 o
-1 -6 4 234.80 227.35 7.00 o
0 -6 4 454.98 460.43 13.49 o
1 -6 4 458.68 452.33 23.79 o
2 -6 4 127.72 113.54 4.16 o
-2 -5 4 569.64 608.65 17.72 o
-1 -5 4 13.75 15.76 1.11 o
0 -5 4 30.41 29.97 1.62 o
1 -5 4 531.31 585.56 15.03 o
2 -5 4 324.26 330.77 8.92 o
3 -5 4 48.03 40.61 1.83 o
-3 -4 4 7.42 7.17 1.08 o
-2 -4 4 71.28 79.14 3.00 o
-1 -4 4 640.81 670.99 20.83 o
0 -4 4 811.91 797.63 19.93 o
1 -4 4 7.11 7.65 0.80 o
2 -4 4 444.62 438.76 9.45 o
3 -4 4 292.22 300.29 7.28 o
-3 -3 4 233.44 235.70 12.70 o
-2 -3 4 460.00 446.37 36.13 o
-1 -3 4 14.53 16.55 1.00 o
0 -3 4 2066.77 1797.77 60.35 o
1 -3 4 1057.54 974.47 21.08 o
2 -3 4 154.29 160.05 4.03 o
3 -3 4 8.95 9.98 0.75 o
4 -3 4 380.50 351.49 12.41 o
-4 -2 4 43.91 41.28 3.12 o
-3 -2 4 2.90 3.89 1.26 o
-2 -2 4 960.04 920.69 26.27 o
-1 -2 4 1973.01 1736.37 154.13 o
0 -2 4 71.29 81.12 17.01 o
1 -2 4 14.57 12.98 9.26 o
2 -2 4 1838.15 1782.31 38.69 o
3 -2 4 685.60 735.90 18.35 o
4 -2 4 5.91 6.39 0.80 o
-4 -1 4 265.17 241.03 12.88 o
-3 -1 4 657.24 679.61 34.27 o
-2 -1 4 258.31 250.93 8.05 o
-1 -1 4 273.05 303.94 38.88 o
0 -1 4 3594.86 3624.52 108.80 o
1 -1 4 2346.60 2132.12 154.09 o
2 -1 4 44.02 40.93 1.28 o
3 -1 4 311.31 336.65 8.75 o
4 -1 4 168.56 167.78 6.42 o
-4 0 4 67.63 66.56 4.49 o
-3 0 4 123.17 132.80 5.42 o
-2 0 4 1877.83 1679.89 40.80 o
-1 0 4 645.30 678.98 71.12 o
0 0 4 634.21 692.49 28.07 o
1 0 4 1104.46 1009.10 56.93 o
2 0 4 1506.26 1402.20 34.33 o
3 0 4 143.45 146.44 5.12 o
4 0 4 5.27 5.50 1.50 o
-4 1 4 472.00 462.65 16.50 o
-3 1 4 293.80 289.58 7.50 o
-2 1 4 92.89 96.55 2.85 o
-1 1 4 251.78 251.66 18.75 o
0 1 4 3726.74 4117.67 162.88 o
1 1 4 63.93 70.56 10.30 o
2 1 4 64.54 49.56 1.66 o
3 1 4 737.55 717.70 19.83 o
4 1 4 291.79 281.29 14.44 o
-4 2 4 75.69 76.11 3.49 o
-3 2 4 450.21 476.57 12.13 o
-2 2 4 1587.12 1597.16 38.73 o
-1 2 4 665.86 685.33 51.98 o
0 2 4 3482.20 3801.80 160.86 o
1 2 4 979.92 886.30 73.16 o
2 2 4 918.19 898.86 22.86 o
3 2 4 94.31 102.20 5.30 o
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-3 3 4 668.13 745.34 21.40 o
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-1 3 4 2048.47 1741.10 48.85 o
0 3 4 2104.11 1857.69 53.77 o
1 3 4 319.58 312.82 8.82 o
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3 3 4 524.96 617.21 18.26 o
-3 4 4 266.54 271.14 7.53 o
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-1 -5 5 291.30 304.29 9.34 o
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-3 -4 5 116.35 113.00 4.69 o
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-1 -4 5 1162.58 1201.31 34.13 o
0 -4 5 729.08 750.68 18.82 o
1 -4 5 129.63 136.67 4.16 o
2 -4 5 18.99 18.45 1.19 o
3 -4 5 622.06 587.86 15.02 o
-3 -3 5 415.83 411.21 15.08 o
-2 -3 5 739.82 741.87 18.60 o
-1 -3 5 55.31 54.96 2.26 o
0 -3 5 54.08 45.54 1.90 o
1 -3 5 1815.94 1677.88 48.06 o
2 -3 5 790.45 786.06 16.18 o
3 -3 5 2.48 2.70 0.52 o
4 -3 5 22.29 21.85 1.29 o
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-3 -2 5 75.68 76.27 5.09 o
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1 -2 5 15.11 12.46 15.58 o
2 -2 5 746.40 753.93 16.71 o
3 -2 5 219.21 229.21 5.75 o
4 -2 5 63.96 58.75 2.61 o
-4 -1 5 61.02 60.03 4.19 o
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-2 -1 5 254.96 230.80 10.32 o
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0 -1 5 1909.98 2036.01 99.03 o
1 -1 5 1862.60 1829.60 102.30 o
2 -1 5 160.37 142.39 3.68 o
3 -1 5 58.36 65.49 2.28 o
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