#------------------------------------------------------------------------------
#$Date: 2021-09-22 04:45:40 +0300 (Wed, 22 Sep 2021) $
#$Revision: 269239 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/88/2108873.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_2108873
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   7.6031
_cell_length_b                   12.5040
_cell_length_c                   13.6302
_exptl_crystal_F_000             880.00
_reflns_d_resolution_high        0.8108
_cod_data_source_file            xk5082NNBiCl_2_295Ksup4.hkl
_cod_data_source_block           NNBiCl_2_295K
_shelx_title                     ' nnbicl_2_295k in P2(1)2(1)2(1)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            289.71
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -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
2 0 0 28249.86 28488.43 146.13 o
4 0 0 32.40 117.32 12.20 o
6 0 0 26410.70 25853.24 155.61 o
8 0 0 6631.76 6768.63 122.73 o
1 1 0 47645.74 48985.93 213.95 o
2 1 0 27495.87 26924.78 98.10 o
3 1 0 4948.64 4818.97 25.38 o
4 1 0 22022.89 21366.32 86.82 o
5 1 0 2014.07 2059.06 18.60 o
6 1 0 4804.91 4755.47 34.44 o
7 1 0 17643.86 17702.49 117.43 o
8 1 0 4.48 0.00 13.17 o
9 1 0 3211.03 3269.00 54.58 o
0 2 0 12537.91 12821.65 91.99 o
1 2 0 3063.74 3332.65 36.55 o
2 2 0 244.53 230.88 6.09 o
3 2 0 83932.48 83351.08 338.32 o
4 2 0 11089.10 11116.46 59.35 o
5 2 0 21985.69 22063.54 107.72 o
6 2 0 1069.29 1046.64 17.39 o
7 2 0 1053.93 1072.57 20.50 o
8 2 0 572.76 646.12 22.51 o
9 2 0 2007.14 2038.33 43.80 o
1 3 0 3596.48 3462.94 53.37 o
2 3 0 28168.34 27521.51 147.57 o
3 3 0 2663.52 2797.10 24.01 o
4 3 0 40995.66 39737.92 190.65 o
5 3 0 1476.96 1493.80 21.27 o
6 3 0 4441.22 4397.09 40.02 o
7 3 0 1132.68 1182.45 31.43 o
8 3 0 93.71 112.83 17.86 o
9 3 0 938.58 900.62 34.00 o
0 4 0 7297.97 6954.08 57.41 o
1 4 0 5119.13 5361.11 44.83 o
2 4 0 22462.01 22616.48 128.34 o
3 4 0 9537.79 9425.04 65.21 o
4 4 0 548.86 568.01 14.20 o
5 4 0 2922.54 2877.42 33.57 o
6 4 0 3991.52 4040.19 43.99 o
7 4 0 2983.20 2896.65 49.20 o
8 4 0 8666.46 8716.79 98.69 o
9 4 0 476.49 512.96 28.70 o
1 5 0 34472.21 34636.87 148.86 o
2 5 0 492.51 572.54 13.46 o
3 5 0 1699.80 1757.45 24.51 o
4 5 0 34.04 56.75 12.77 o
5 5 0 4498.83 4431.32 45.13 o
6 5 0 558.04 596.52 17.89 o
7 5 0 7665.24 7751.44 87.10 o
8 5 0 68.54 58.22 17.42 o
0 6 0 17304.15 17083.33 131.46 o
1 6 0 6468.25 6568.77 37.62 o
2 6 0 4586.36 4666.10 34.81 o
3 6 0 1679.54 1783.72 22.29 o
4 6 0 143.32 160.98 13.63 o
5 6 0 13220.42 13365.52 95.98 o
6 6 0 3348.32 3297.43 41.61 o
7 6 0 552.65 552.63 25.09 o
8 6 0 2941.62 2909.41 70.16 o
1 7 0 61.93 79.46 4.99 o
2 7 0 17058.54 16945.75 94.08 o
3 7 0 11.62 42.12 9.95 o
4 7 0 22188.72 22064.15 140.61 o
5 7 0 103.50 123.60 12.02 o
6 7 0 6796.19 6783.03 79.20 o
7 7 0 159.61 153.70 23.19 o
8 7 0 285.05 281.73 24.51 o
0 8 0 6671.61 6805.52 65.59 o
1 8 0 10641.31 10569.38 67.32 o
2 8 0 9640.57 9808.28 76.62 o
3 8 0 12990.74 13080.12 97.37 o
4 8 0 506.16 541.38 19.22 o
5 8 0 8448.16 8493.52 75.50 o
6 8 0 1503.97 1453.03 36.67 o
7 8 0 38.91 75.44 18.80 o
8 8 0 2391.53 2433.68 53.20 o
1 9 0 24370.83 24259.71 166.12 o
2 9 0 619.58 650.02 19.16 o
3 9 0 3073.52 3062.24 41.30 o
4 9 0 938.74 983.87 28.06 o
5 9 0 2783.21 2923.51 43.83 o
6 9 0 252.03 246.00 20.59 o
7 9 0 6526.32 6954.02 89.73 o
1 10 0 1297.67 1334.70 24.62 o
2 10 0 17237.79 16952.57 117.90 o
3 10 0 5631.27 5746.75 77.59 o
4 10 0 513.90 549.76 21.17 o
5 10 0 938.12 883.98 30.80 o
6 10 0 4321.25 4487.23 68.63 o
7 10 0 396.92 381.21 25.87 o
1 11 0 3976.37 3912.31 78.01 o
2 11 0 6803.19 6902.29 70.67 o
3 11 0 371.60 352.53 17.06 o
4 11 0 11398.34 11508.62 141.27 o
5 11 0 589.52 640.43 27.81 o
6 11 0 4171.67 4324.14 69.33 o
0 12 0 1156.50 1116.20 61.25 o
1 12 0 3032.06 2931.03 69.05 o
2 12 0 127.70 125.34 15.97 o
3 12 0 12520.91 12526.65 102.47 o
4 12 0 167.44 165.69 16.15 o
5 12 0 6746.13 6826.35 87.88 o
1 13 0 4820.65 4668.86 90.33 o
2 13 0 3663.27 3668.32 78.15 o
3 13 0 584.04 604.81 26.79 o
4 13 0 3443.30 3485.19 51.92 o
5 13 0 914.67 980.62 40.51 o
0 14 0 6807.33 6488.32 111.04 o
1 14 0 2.53 22.86 19.14 o
2 14 0 3154.68 3153.30 72.89 o
3 14 0 10.63 34.52 22.34 o
1 15 0 3438.16 3398.87 57.07 o
2 15 0 1084.69 937.80 43.24 o
1 0 1 1903.45 2040.33 12.93 o
2 0 1 26648.60 25579.81 93.69 o
3 0 1 11657.21 11417.71 48.86 o
4 0 1 42529.16 42280.09 157.99 o
5 0 1 2358.36 2405.09 20.10 o
6 0 1 15021.76 15099.26 87.60 o
7 0 1 26.66 50.56 9.23 o
8 0 1 8.81 17.57 9.76 o
9 0 1 560.80 575.51 28.43 o
-9 1 1 1372.77 1375.84 35.93 o
-8 1 1 2180.92 2145.47 44.92 o
-7 1 1 2883.58 2917.28 31.74 o
-6 1 1 6082.28 6035.28 39.87 o
-5 1 1 19574.69 19379.46 111.71 o
-4 1 1 3500.37 3467.06 23.55 o
-3 1 1 43562.31 43110.84 166.76 o
-2 1 1 22313.99 22133.65 87.38 o
-1 1 1 13649.63 13957.08 64.82 o
1 1 1 13316.00 13560.13 89.64 o
2 1 1 20777.00 20201.46 85.87 o
3 1 1 43546.36 42957.16 167.84 o
4 1 1 5263.98 5282.76 32.69 o
5 1 1 17941.42 17609.29 94.22 o
6 1 1 6623.24 6586.42 46.78 o
7 1 1 3141.29 3194.81 33.19 o
8 1 1 2558.45 2621.11 45.21 o
9 1 1 1270.17 1297.44 35.30 o
-9 2 1 5171.25 5120.57 63.51 o
-8 2 1 1295.55 1308.85 29.44 o
-7 2 1 10841.41 10812.20 98.53 o
-6 2 1 2458.54 2497.86 26.25 o
-5 2 1 3000.79 2942.73 23.87 o
-4 2 1 4272.20 4096.60 26.71 o
-3 2 1 12494.15 12439.37 56.17 o
-2 2 1 25993.46 26336.75 128.90 o
-1 2 1 53907.97 54435.96 419.91 o
0 2 1 20629.52 21441.24 110.50 o
1 2 1 54979.78 54619.53 273.05 o
2 2 1 23508.53 23530.40 101.97 o
3 2 1 10461.46 10295.21 69.44 o
4 2 1 4043.70 3887.06 27.19 o
5 2 1 4332.99 4427.92 39.47 o
6 2 1 2323.32 2356.43 26.04 o
7 2 1 10434.00 10509.55 89.84 o
8 2 1 1360.90 1351.51 33.24 o
9 2 1 5144.34 5268.20 91.63 o
-9 3 1 870.21 925.15 34.14 o
-8 3 1 7589.80 7571.48 82.55 o
-7 3 1 576.73 573.25 19.84 o
-6 3 1 8456.01 8272.61 69.43 o
-5 3 1 2831.38 2765.05 25.65 o
-4 3 1 3361.73 3149.07 27.18 o
-3 3 1 4310.84 4235.73 34.24 o
-2 3 1 30665.20 30957.18 189.91 o
-1 3 1 11203.79 11128.19 78.30 o
0 3 1 46153.57 46455.54 228.12 o
1 3 1 14264.80 14442.26 93.25 o
2 3 1 24816.39 24491.40 135.14 o
3 3 1 4926.04 4955.38 35.06 o
4 3 1 3654.32 3434.55 30.43 o
5 3 1 3243.59 3208.68 36.14 o
6 3 1 9004.70 8873.25 72.36 o
7 3 1 1218.20 1255.44 26.31 o
8 3 1 7712.27 7726.16 92.55 o
9 3 1 737.75 732.68 37.68 o
-9 4 1 626.24 626.48 93.63 o
-8 4 1 403.82 371.48 22.90 o
-7 4 1 2155.94 2126.60 41.35 o
-6 4 1 4024.44 4058.34 53.31 o
-5 4 1 8247.71 8109.51 78.87 o
-4 4 1 19267.39 18991.60 113.83 o
-3 4 1 5547.15 5627.17 44.13 o
-2 4 1 23725.25 23956.90 133.89 o
-1 4 1 22192.50 22653.24 126.85 o
0 4 1 2967.02 3148.07 30.19 o
1 4 1 21092.12 21420.26 109.61 o
2 4 1 23350.18 23453.08 133.82 o
3 4 1 6503.35 6622.06 52.01 o
4 4 1 16463.26 15978.22 96.44 o
5 4 1 7711.11 7553.81 62.65 o
6 4 1 3627.44 3607.14 42.59 o
7 4 1 2105.11 2211.34 35.08 o
8 4 1 619.39 682.14 29.29 o
9 4 1 682.22 654.50 35.45 o
-8 5 1 422.97 468.58 25.59 o
-7 5 1 1403.60 1446.90 35.35 o
-6 5 1 3910.38 3828.59 60.04 o
-5 5 1 20067.32 19823.82 124.15 o
-4 5 1 4940.00 4972.10 44.67 o
-3 5 1 11679.68 11685.33 78.44 o
-2 5 1 1675.00 1734.00 23.28 o
-1 5 1 6365.80 6348.95 38.53 o
0 5 1 322.88 406.47 7.70 o
1 5 1 6861.81 6756.98 38.25 o
2 5 1 1802.39 1852.60 16.46 o
3 5 1 12688.44 12870.53 87.15 o
4 5 1 4257.94 4195.58 42.70 o
5 5 1 20618.12 20405.19 130.79 o
6 5 1 3537.76 3528.71 53.77 o
7 5 1 1159.59 1128.59 33.01 o
8 5 1 360.27 415.03 25.80 o
-8 6 1 1310.29 1328.75 49.49 o
-7 6 1 4007.54 4173.88 61.33 o
-6 6 1 2247.86 2316.46 41.81 o
-5 6 1 5481.15 5490.29 52.07 o
-4 6 1 5629.29 5667.82 64.83 o
-3 6 1 1754.08 1757.51 25.75 o
-2 6 1 10870.88 10979.60 77.57 o
-1 6 1 27856.96 27999.12 181.39 o
0 6 1 2618.67 2698.12 35.64 o
1 6 1 30578.86 30908.27 161.28 o
2 6 1 10394.13 10526.30 56.15 o
3 6 1 2015.10 2104.08 29.72 o
4 6 1 6569.48 6564.59 58.82 o
5 6 1 5432.11 5398.51 54.48 o
6 6 1 2640.08 2660.57 50.68 o
7 6 1 3733.08 3643.25 59.06 o
8 6 1 1073.45 1116.53 37.18 o
-8 7 1 5794.80 5594.87 104.27 o
-7 7 1 2270.97 2310.94 52.53 o
-6 7 1 5087.75 5068.08 72.47 o
-5 7 1 320.91 353.83 15.31 o
-4 7 1 593.17 608.77 20.43 o
-3 7 1 851.07 875.70 24.18 o
-2 7 1 14689.96 14742.57 146.90 o
-1 7 1 8245.65 8223.78 49.17 o
0 7 1 21220.26 21474.02 116.31 o
1 7 1 6383.19 6127.38 44.77 o
2 7 1 17143.11 17218.30 96.98 o
3 7 1 1137.66 1149.01 23.73 o
4 7 1 560.71 574.69 18.61 o
5 7 1 358.95 370.28 19.16 o
6 7 1 3971.51 3999.55 49.37 o
7 7 1 1606.83 1522.74 39.93 o
8 7 1 6442.73 6544.22 88.69 o
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1 8 1 12342.69 12529.04 73.45 o
2 8 1 10173.87 10069.49 78.65 o
3 8 1 4444.83 4486.71 49.81 o
4 8 1 10753.85 10804.60 97.13 o
5 8 1 988.77 960.96 24.73 o
6 8 1 2340.03 2389.17 41.20 o
7 8 1 4237.00 4294.19 72.28 o
-7 9 1 759.39 750.43 32.91 o
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-5 9 1 7494.12 7794.20 85.81 o
-4 9 1 5400.91 5385.58 67.42 o
-3 9 1 23113.60 23457.85 217.04 o
-2 9 1 3584.96 3636.30 42.61 o
-1 9 1 4963.35 4984.10 48.23 o
0 9 1 803.28 843.31 13.45 o
1 9 1 3976.33 3916.60 42.22 o
2 9 1 3921.47 3981.10 44.83 o
3 9 1 22710.11 22672.78 149.74 o
4 9 1 4403.75 4348.61 57.57 o
5 9 1 8863.07 9033.82 83.33 o
6 9 1 393.14 376.76 24.01 o
7 9 1 747.82 689.01 30.62 o
-7 10 1 1311.49 1321.45 51.67 o
-6 10 1 4069.34 4054.90 64.38 o
-5 10 1 1020.98 1045.30 31.73 o
-4 10 1 10903.46 11077.95 176.88 o
-3 10 1 4446.63 4509.62 94.46 o
-2 10 1 5774.91 5789.68 57.57 o
-1 10 1 3626.97 3647.01 41.51 o
0 10 1 1841.48 1884.65 41.33 o
1 10 1 3470.60 3454.46 59.27 o
2 10 1 4843.73 4865.89 51.86 o
3 10 1 4497.80 4438.26 79.27 o
4 10 1 11806.34 11964.91 101.01 o
5 10 1 829.49 812.13 25.93 o
6 10 1 3681.65 3744.75 63.14 o
7 10 1 1585.91 1617.78 45.01 o
-6 11 1 4245.94 4338.39 68.48 o
-5 11 1 1998.98 2020.17 44.47 o
-4 11 1 314.88 334.36 18.85 o
-3 11 1 3554.29 3599.61 47.58 o
-2 11 1 3201.50 3092.79 41.09 o
-1 11 1 2711.80 2621.45 35.79 o
0 11 1 24187.02 23247.64 233.89 o
1 11 1 2852.49 2687.21 64.25 o
2 11 1 3503.80 3493.35 44.16 o
3 11 1 2839.17 2826.81 41.88 o
4 11 1 217.43 223.21 17.08 o
5 11 1 2004.87 2002.97 39.77 o
6 11 1 4666.37 4802.93 88.94 o
-5 12 1 608.28 663.14 36.26 o
-4 12 1 159.51 164.61 18.39 o
-3 12 1 1472.68 1506.94 31.72 o
-2 12 1 190.26 187.86 13.90 o
-1 12 1 13006.54 12571.92 156.84 o
0 12 1 4512.23 4639.31 72.69 o
1 12 1 12196.77 11980.87 151.76 o
2 12 1 112.89 108.07 23.28 o
3 12 1 1084.44 1076.52 27.08 o
4 12 1 69.21 113.93 19.16 o
5 12 1 668.63 687.57 30.00 o
-5 13 1 1958.91 1966.54 55.31 o
-4 13 1 908.79 862.22 31.62 o
-3 13 1 4504.42 4464.12 56.02 o
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-1 13 1 496.31 488.18 28.19 o
0 13 1 5257.04 5101.83 131.94 o
1 13 1 788.45 803.36 41.30 o
2 13 1 1626.24 1559.15 51.52 o
3 13 1 4732.64 4599.80 67.89 o
4 13 1 1347.01 1252.01 31.87 o
5 13 1 1642.26 1630.08 44.19 o
-3 14 1 971.01 1021.27 44.89 o
-2 14 1 3316.17 3179.36 95.29 o
-1 14 1 231.80 234.99 21.55 o
0 14 1 49.12 75.14 18.92 o
1 14 1 476.88 460.09 34.75 o
2 14 1 4011.08 3969.93 117.46 o
3 14 1 916.30 966.58 52.15 o
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0 15 1 586.04 600.63 30.68 o
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1 0 2 52346.91 52425.53 256.99 o
2 0 2 8396.90 8272.98 40.85 o
3 0 2 92.69 138.95 10.25 o
4 0 2 1.13 22.32 6.04 o
5 0 2 464.53 496.18 12.20 o
6 0 2 6678.60 6646.38 47.57 o
7 0 2 7407.23 7414.68 81.72 o
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9 0 2 1178.47 1232.01 37.25 o
-9 1 2 1896.36 1928.65 42.46 o
-8 1 2 1959.20 2025.57 29.15 o
-7 1 2 4007.22 4015.17 38.14 o
-6 1 2 13942.50 13923.39 88.87 o
-5 1 2 3683.13 3638.65 26.75 o
-4 1 2 6134.83 6133.07 34.45 o
-3 1 2 17687.64 17607.88 74.43 o
-2 1 2 2661.66 2979.78 20.41 o
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0 1 2 22963.70 24335.88 124.16 o
1 1 2 25869.15 25850.60 144.29 o
2 1 2 2596.22 3030.12 23.21 o
3 1 2 17915.67 17826.55 82.16 o
4 1 2 3936.64 3813.77 31.52 o
5 1 2 4020.06 3968.16 31.70 o
6 1 2 13714.83 13663.99 87.84 o
7 1 2 4241.56 4305.86 52.55 o
8 1 2 1420.73 1455.35 26.51 o
9 1 2 1958.87 1936.25 141.89 o
-9 2 2 411.64 379.80 33.65 o
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-7 2 2 972.02 982.34 21.88 o
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0 2 2 4554.45 4879.93 35.13 o
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2 2 2 9570.33 9800.71 48.80 o
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-1 4 2 35981.71 35913.70 220.60 o
0 4 2 24015.27 23846.15 114.16 o
1 4 2 37961.82 38357.18 165.15 o
2 4 2 15807.23 15227.37 95.41 o
3 4 2 9211.75 9306.21 66.93 o
4 4 2 4356.20 4420.32 37.32 o
5 4 2 5693.02 5676.61 53.78 o
6 4 2 4336.13 4364.91 48.71 o
7 4 2 5466.76 5483.44 59.25 o
8 4 2 3633.74 3665.74 73.15 o
-8 5 2 6052.66 6047.65 141.29 o
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-6 5 2 3564.31 3604.12 50.04 o
-5 5 2 9454.22 9357.62 84.98 o
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3 5 2 967.09 1033.73 20.44 o
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5 5 2 10051.74 10016.20 90.00 o
6 5 2 3900.94 3910.13 54.57 o
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