#------------------------------------------------------------------------------
#$Date: 2024-12-03 04:59:07 +0200 (Tue, 03 Dec 2024) $
#$Revision: 296196 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/31/27/2312709.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_2312709
_cell_angle_alpha                90.000
_cell_angle_beta                 97.412
_cell_angle_gamma                90.000
_cell_length_a                   5.7600
_cell_length_b                   7.9063
_cell_length_c                   17.6186
_exptl_crystal_F_000             384.00
_reflns_d_resolution_high        0.8205
_cod_data_source_file            aw5097hmbi-sni4sup2.hkl
_cod_data_source_block           hmbi-sni4
_shelx_title                     ' hmbi-sni4_a.res in P2(1)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            191.80
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -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 -9 0 774.18 714.05 35.51 o
2 -9 0 1798.19 1633.62 57.76 o
0 -8 0 3070.87 2908.63 102.78 o
1 -8 0 190.66 183.56 20.66 o
2 -8 0 352.74 334.44 14.56 o
3 -8 0 1368.46 1290.63 52.12 o
1 -7 0 2364.28 2371.15 63.29 o
2 -7 0 1495.57 1460.76 45.55 o
3 -7 0 49.70 58.86 11.86 o
4 -7 0 743.31 780.93 26.95 o
0 -6 0 4023.63 4348.46 97.86 o
1 -6 0 366.17 373.33 15.79 o
2 -6 0 442.02 424.60 27.75 o
3 -6 0 2678.37 2811.59 104.25 o
4 -6 0 718.09 745.91 35.50 o
5 -6 0 208.83 229.05 16.41 o
1 -5 0 3690.95 3775.74 68.19 o
2 -5 0 1766.16 1818.06 60.34 o
3 -5 0 16.11 2.94 12.70 o
4 -5 0 1446.38 1659.19 102.71 o
5 -5 0 813.73 1076.46 81.42 o
0 -4 0 4146.81 3801.71 160.13 o
1 -4 0 2133.46 2244.89 120.59 o
2 -4 0 389.64 374.22 37.54 o
3 -4 0 3860.54 3568.72 146.51 o
4 -4 0 1529.91 1772.12 105.00 o
5 -4 0 171.96 203.16 38.86 o
6 -4 0 1385.63 1620.94 98.64 o
1 -3 0 1708.11 1636.46 89.28 o
2 -3 0 4291.51 4172.59 130.02 o
3 -3 0 18.39 36.16 11.48 o
4 -3 0 2533.99 2651.78 245.36 o
5 -3 0 1346.24 1600.09 107.80 o
6 -3 0 47.12 62.14 26.83 o
0 -2 0 29607.43 29019.40 536.38 o
1 -2 0 5143.20 5334.81 179.34 o
2 -2 0 756.94 766.16 42.97 o
3 -2 0 4083.34 4013.22 187.34 o
4 -2 0 2090.95 2435.62 122.55 o
5 -2 0 105.32 123.10 25.70 o
6 -2 0 1353.42 1313.22 55.51 o
1 -1 0 757.71 757.47 22.14 o
2 -1 0 6661.75 6503.16 158.87 o
4 -1 0 3130.09 3191.75 84.39 o
5 -1 0 1161.01 1261.23 75.02 o
6 -1 0 218.04 237.45 27.63 o
1 0 0 90.34 104.50 6.52 o
2 0 0 1516.69 1364.05 78.24 o
3 0 0 3105.20 2991.07 158.22 o
4 0 0 1949.29 2009.24 60.54 o
5 0 0 12.74 13.02 11.07 o
6 0 0 1013.69 1043.27 63.30 o
1 1 0 772.17 784.39 22.74 o
2 1 0 6369.57 6103.65 355.11 o
3 1 0 32.81 29.89 11.30 o
4 1 0 3143.74 3074.01 96.72 o
5 1 0 1079.86 1074.34 66.38 o
6 1 0 240.08 231.75 28.49 o
1 2 0 3730.24 3321.59 125.41 o
2 2 0 573.79 520.09 35.38 o
3 2 0 4625.23 4558.79 206.68 o
4 2 0 2085.95 2019.68 157.26 o
6 2 0 1268.31 1175.78 63.88 o
1 3 0 1098.85 963.19 64.63 o
2 3 0 4350.13 3988.67 172.27 o
3 3 0 9.82 22.59 13.71 o
4 3 0 2463.22 2209.31 171.24 o
6 3 0 62.95 63.06 14.49 o
1 4 0 1763.67 1707.31 103.67 o
4 4 0 1603.34 1349.83 136.41 o
-2 -9 1 942.83 856.78 36.95 o
-1 -9 1 293.12 249.79 19.86 o
0 -9 1 819.01 769.98 26.33 o
1 -9 1 1589.15 1502.34 57.80 o
2 -9 1 97.73 96.59 11.18 o
-3 -8 1 776.64 776.31 26.48 o
-2 -8 1 132.11 123.79 9.00 o
-1 -8 1 1853.45 1810.64 74.55 o
0 -8 1 1386.55 1333.90 57.32 o
1 -8 1 181.31 172.35 13.36 o
2 -8 1 1267.29 1248.85 38.43 o
3 -8 1 933.08 849.47 39.00 o
-4 -7 1 111.32 103.19 12.99 o
-3 -7 1 692.99 681.12 27.72 o
-2 -7 1 2226.24 2248.14 61.42 o
-1 -7 1 372.08 368.35 16.61 o
0 -7 1 706.68 646.10 39.82 o
1 -7 1 3854.76 3902.43 91.79 o
2 -7 1 206.96 203.52 12.01 o
3 -7 1 575.93 558.44 26.78 o
4 -7 1 1480.82 1467.66 40.26 o
-5 -6 1 266.41 279.41 13.18 o
-4 -6 1 1680.03 1978.80 108.90 o
-3 -6 1 1234.18 1267.54 47.45 o
-2 -6 1 180.80 197.73 19.01 o
-1 -6 1 1981.57 2028.13 44.93 o
0 -6 1 3471.30 3652.21 59.87 o
1 -6 1 95.79 84.09 9.20 o
2 -6 1 2503.80 2571.16 66.13 o
3 -6 1 1079.16 1093.58 55.37 o
4 -6 1 0.33 0.55 3.98 o
5 -6 1 829.54 833.17 105.14 o
-5 -5 1 1169.07 1475.85 95.22 o
-4 -5 1 63.79 72.36 23.45 o
-3 -5 1 1135.63 1114.19 54.62 o
-2 -5 1 4741.35 4717.69 109.65 o
-1 -5 1 351.40 356.70 15.55 o
1 -5 1 4917.92 5229.33 89.57 o
2 -5 1 966.77 965.43 67.95 o
3 -5 1 676.88 696.17 49.53 o
4 -5 1 2018.44 2536.27 133.54 o
5 -5 1 573.57 625.87 62.21 o
-6 -4 1 333.86 389.14 48.09 o
-5 -4 1 63.31 39.27 21.23 o
-4 -4 1 2622.56 2770.13 136.17 o
-3 -4 1 2155.83 2200.70 123.70 o
-2 -4 1 366.74 419.03 39.81 o
-1 -4 1 3061.28 3074.83 105.69 o
0 -4 1 4094.38 3833.01 114.14 o
1 -4 1 889.98 1069.76 78.82 o
2 -4 1 1696.17 1618.51 80.89 o
3 -4 1 2354.62 2683.16 152.37 o
4 -4 1 36.05 40.78 21.05 o
5 -4 1 1370.66 1589.15 107.73 o
6 -4 1 658.01 671.26 28.20 o
-6 -3 1 694.84 764.74 71.23 o
-5 -3 1 1441.30 1767.84 112.25 o
-4 -3 1 245.38 274.40 38.55 o
-3 -3 1 3290.50 3422.04 93.27 o
-2 -3 1 7775.83 8128.65 415.61 o
-1 -3 1 323.87 328.79 26.59 o
0 -3 1 3644.70 3508.01 77.94 o
1 -3 1 7767.00 8098.01 211.56 o
2 -3 1 2605.01 2640.32 97.54 o
3 -3 1 824.15 770.17 34.04 o
4 -3 1 2960.40 3417.42 193.05 o
5 -3 1 680.73 757.83 75.57 o
6 -3 1 87.44 102.92 30.69 o
-6 -2 1 545.85 543.83 32.47 o
-5 -2 1 228.39 245.28 26.13 o
-4 -2 1 1938.95 1841.51 59.57 o
-3 -2 1 2802.60 2871.58 153.13 o
-2 -2 1 108.92 103.14 11.66 o
-1 -2 1 5171.62 5325.73 98.67 o
0 -2 1 2263.29 2244.62 78.48 o
1 -2 1 6994.42 7014.07 175.02 o
2 -2 1 1763.60 1643.19 66.83 o
4 -2 1 93.74 82.16 15.26 o
5 -2 1 1862.46 2040.64 81.18 o
6 -2 1 1149.17 1131.93 50.00 o
-6 -1 1 801.75 823.22 55.92 o
-5 -1 1 1830.01 1900.52 102.59 o
-4 -1 1 70.80 66.10 8.15 o
-2 -1 1 6849.94 6762.78 117.55 o
-1 -1 1 360.32 389.91 11.97 o
0 -1 1 419.42 449.55 13.46 o
1 -1 1 35781.54 32900.91 492.71 o
2 -1 1 2357.86 2377.83 62.23 o
3 -1 1 1188.74 1374.40 105.14 o
4 -1 1 3486.39 3383.98 90.60 o
5 -1 1 397.93 418.74 41.90 o
6 -1 1 12.56 9.16 5.75 o
-6 0 1 886.09 895.44 58.24 o
-5 0 1 620.59 657.75 33.92 o
-4 0 1 1134.70 1052.59 37.99 o
-3 0 1 2542.23 2486.95 137.16 o
-2 0 1 7.72 17.63 14.20 o
-1 0 1 2744.95 2883.24 54.73 o
0 0 1 1203.09 1179.30 27.36 o
1 0 1 613.15 630.76 17.47 o
2 0 1 9342.67 9074.44 203.21 o
3 0 1 2610.21 2686.36 151.14 o
4 0 1 104.35 102.39 11.99 o
5 0 1 2061.92 2057.83 98.92 o
6 0 1 1017.03 1133.85 41.40 o
-6 1 1 841.99 779.40 52.88 o
-5 1 1 1774.88 1915.04 63.54 o
-4 1 1 98.87 103.21 28.13 o
-3 1 1 4675.05 4414.25 199.06 o
-2 1 1 7582.05 7154.13 173.04 o
-1 1 1 380.56 397.51 21.99 o
0 1 1 376.65 401.10 16.03 o
1 1 1 36787.38 33584.07 505.18 o
2 1 1 1718.85 1594.28 72.25 o
3 1 1 1015.76 979.08 87.19 o
4 1 1 3503.86 3411.81 146.94 o
5 1 1 445.60 436.03 40.57 o
6 1 1 34.64 30.22 7.18 o
-6 2 1 568.60 511.26 40.61 o
-4 2 1 1863.36 1750.58 143.97 o
-3 2 1 2987.85 3043.71 161.70 o
-2 2 1 193.69 211.22 19.48 o
-1 2 1 4863.91 4446.85 150.08 o
1 2 1 6724.47 6495.07 214.65 o
2 2 1 1849.14 1673.26 68.10 o
3 2 1 3168.83 2763.04 147.52 o
4 2 1 79.05 49.39 26.25 o
5 2 1 1924.96 1835.08 89.21 o
6 2 1 980.96 879.51 52.88 o
-6 3 1 705.98 640.94 42.62 o
-4 3 1 325.70 311.96 58.34 o
-3 3 1 3191.90 3065.62 168.88 o
-1 3 1 385.54 366.51 36.74 o
1 3 1 8434.22 8280.62 277.23 o
2 3 1 1920.92 1819.65 76.76 o
3 3 1 536.13 469.87 59.75 o
4 3 1 3205.89 2971.31 204.57 o
6 3 1 90.67 68.70 13.95 o
-6 4 1 338.95 299.35 25.33 o
-3 4 1 2207.14 1817.68 132.28 o
1 4 1 840.12 935.36 76.49 o
4 4 1 22.00 -7.96 19.72 o
0 5 1 1137.88 1086.68 91.81 o
-2 -9 2 889.09 770.92 34.52 o
-1 -9 2 102.90 98.27 12.68 o
0 -9 2 1271.93 1202.50 34.91 o
1 -9 2 1033.93 1015.17 43.75 o
2 -9 2 33.05 39.65 7.45 o
-3 -8 2 16.93 16.55 4.33 o
-2 -8 2 1027.31 992.34 27.52 o
-1 -8 2 1540.70 1489.52 65.59 o
0 -8 2 202.81 217.49 21.40 o
1 -8 2 1394.72 1389.30 60.91 o
2 -8 2 2166.62 2061.89 54.02 o
3 -8 2 238.54 246.13 18.53 o
-4 -7 2 339.56 351.86 20.48 o
-3 -7 2 1903.73 2012.66 79.02 o
-2 -7 2 1300.47 1343.57 35.32 o
-1 -7 2 392.21 404.73 21.93 o
0 -7 2 2052.63 1977.46 57.29 o
1 -7 2 1158.93 1189.78 32.53 o
2 -7 2 111.68 100.77 10.69 o
3 -7 2 1612.47 1625.98 47.23 o
4 -7 2 667.07 659.96 23.38 o
-5 -6 2 1139.27 1270.97 43.25 o
-4 -6 2 1384.32 1612.70 95.60 o
-3 -6 2 31.71 36.30 9.55 o
-2 -6 2 1389.38 1427.71 44.38 o
-1 -6 2 2688.25 2733.87 84.58 o
0 -6 2 395.72 414.78 14.35 o
1 -6 2 1060.79 1098.91 35.71 o
2 -6 2 6004.94 5877.66 98.55 o
3 -6 2 322.65 293.61 18.04 o
4 -6 2 598.06 595.33 24.57 o
5 -6 2 885.20 883.59 110.30 o
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-3 -5 2 3129.26 3272.53 87.83 o
-2 -5 2 2163.42 2131.43 98.49 o
-1 -5 2 709.87 772.59 25.86 o
0 -5 2 3620.17 3759.87 83.00 o
1 -5 2 1725.93 1863.11 34.30 o
2 -5 2 132.30 93.38 30.76 o
3 -5 2 1477.39 1548.59 101.46 o
4 -5 2 1939.12 2192.39 124.76 o
5 -5 2 74.38 88.37 11.82 o
-6 -4 2 7.30 -8.51 17.23 o
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-4 -4 2 1525.07 1764.02 102.37 o
-3 -4 2 104.52 118.69 11.25 o
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-1 -4 2 5505.86 5659.03 159.60 o
0 -4 2 875.93 809.34 46.15 o
1 -4 2 2619.75 2659.24 208.15 o
2 -4 2 8010.08 7743.80 304.23 o
3 -4 2 218.76 257.82 29.25 o
4 -4 2 610.57 720.17 68.46 o
5 -4 2 1537.57 1934.81 122.84 o
6 -4 2 402.42 455.82 52.19 o
-5 -3 2 414.19 543.70 59.27 o
-4 -3 2 114.90 106.95 14.36 o
-3 -3 2 3183.75 2984.19 91.92 o
-2 -3 2 4281.19 4510.99 137.30 o
-1 -3 2 1327.77 1392.41 58.77 o
0 -3 2 6023.71 6202.18 147.28 o
1 -3 2 2763.10 2848.12 91.99 o
2 -3 2 2111.26 2308.67 129.54 o
3 -3 2 914.50 812.34 49.37 o
4 -3 2 2535.99 3114.66 153.88 o
5 -3 2 5.29 8.92 21.43 o
6 -3 2 731.41 848.82 79.19 o
-5 -2 2 1551.11 1526.30 72.84 o
-4 -2 2 2719.98 2830.64 162.20 o
-3 -2 2 342.90 305.87 45.66 o
-2 -2 2 5394.31 5518.87 114.89 o
-1 -2 2 8916.37 8856.25 115.22 o
0 -2 2 1341.47 1333.58 40.54 o
1 -2 2 3265.90 3261.78 62.16 o
2 -2 2 7915.98 7556.41 242.35 o
4 -2 2 676.76 742.27 62.69 o
5 -2 2 2726.86 2757.71 79.04 o
6 -2 2 297.28 278.40 46.33 o
-6 -1 2 1695.64 1776.56 87.09 o
-5 -1 2 796.26 821.23 38.63 o
-4 -1 2 561.11 574.60 22.85 o
-3 -1 2 1980.30 1791.94 100.66 o
-2 -1 2 2838.65 2840.69 82.39 o
-1 -1 2 905.42 898.95 21.54 o
0 -1 2 1923.13 2128.04 47.43 o
1 -1 2 4180.43 4198.02 173.92 o
2 -1 2 1152.64 1245.05 49.45 o
3 -1 2 5715.80 5679.65 222.13 o
4 -1 2 1794.96 1957.71 114.01 o
5 -1 2 3.81 -2.13 10.11 o
6 -1 2 808.91 783.66 32.50 o
-7 0 2 897.31 832.72 34.49 o
-6 0 2 84.87 82.71 19.17 o
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-3 0 2 3.94 8.09 6.55 o
-2 0 2 6355.47 6233.10 119.11 o
-1 0 2 7743.20 8248.64 215.59 o
0 0 2 562.08 545.37 18.52 o
1 0 2 672.49 681.08 22.51 o
2 0 2 7395.98 7475.35 177.20 o
3 0 2 579.63 561.31 42.46 o
4 0 2 1020.99 1051.05 88.63 o
5 0 2 3212.38 3096.79 129.78 o
6 0 2 185.49 212.43 16.42 o
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-5 1 2 736.05 719.11 47.71 o
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-3 1 2 1725.67 1501.63 68.55 o
-2 1 2 3281.58 3381.98 95.50 o
-1 1 2 1026.52 927.13 40.84 o
0 1 2 1873.71 1946.02 62.31 o
1 1 2 3626.31 3289.78 168.47 o
2 1 2 927.45 936.12 32.68 o
3 1 2 5960.16 5638.65 164.50 o
4 1 2 1616.29 1501.79 135.83 o
5 1 2 4.82 -6.19 10.83 o
6 1 2 899.88 875.65 34.31 o
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-4 2 2 2819.03 2481.79 167.07 o
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1 2 2 4239.71 4160.48 105.22 o
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3 2 2 261.84 223.90 31.45 o
4 2 2 490.48 409.51 72.02 o
5 2 2 2620.28 2468.05 70.04 o
6 2 2 373.57 389.41 33.43 o
-6 3 2 1134.08 1091.19 58.55 o
-4 3 2 185.63 153.16 41.22 o
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3 3 2 690.49 637.59 55.80 o
4 3 2 2348.84 2084.18 170.35 o
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1 4 2 3270.63 3282.01 163.14 o
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0 5 2 3182.80 3079.12 168.71 o
1 5 2 1899.49 1774.71 127.66 o
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-2 -9 3 16.44 16.24 5.47 o
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-3 -8 3 295.23 305.44 15.65 o
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1 -5 3 304.86 339.47 16.93 o
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-1 -4 3 2946.03 3049.39 107.67 o
0 -4 3 533.36 508.58 62.55 o
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3 -4 3 1043.23 1056.56 127.68 o
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5 -4 3 1615.53 2110.84 131.49 o
6 -4 3 14.38 9.67 16.92 o
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0 -3 3 4825.25 5004.26 185.97 o
1 -3 3 809.80 870.11 46.61 o
3 -3 3 6609.41 7816.70 264.93 o
4 -3 3 161.76 192.77 37.46 o
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