#------------------------------------------------------------------------------
#$Date: 2023-09-14 04:39:52 +0300 (Thu, 14 Sep 2023) $
#$Revision: 286336 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/31/22/2312285.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_2312285
_cell_angle_alpha                90.000
_cell_angle_beta                 119.345
_cell_angle_gamma                90.000
_cell_length_a                   11.3436
_cell_length_b                   11.8254
_cell_length_c                   10.8625
_exptl_crystal_F_000             10824.00
_reflns_d_resolution_high        0.3599
_cod_data_source_file            ne5013NaCl_13D2Osup3.hkl
_cod_data_source_block           NaCl_13D2O
_shelx_title                     ' NC13d in SENJU 2022Mar.'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            382.55
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'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
7 -3 1 7424.55 5816.20 293.93 o
2 -2 3 6215.82 6002.40 66.92 o
4 -4 5 6564.31 4706.17 287.01 o
5 -5 6 4135.68 5458.64 497.31 o
1 -1 2 1362.30 1396.94 18.61 o
2 -2 3 6215.82 6180.63 56.02 o
2 -2 4 5662.70 6191.45 96.85 o
-1 -3 6 8930.08 7273.43 135.43 o
-5 -3 6 5361.06 4834.93 149.16 o
-4 -2 5 2310.04 2247.91 58.48 o
-7 -3 4 2526.31 2657.08 140.45 o
-11 -3 5 9379.82 8717.64 769.73 o
-6 -2 3 1340.53 1344.17 66.22 o
4 0 0 6504.46 8640.82 62.89 o
6 0 0 5676.04 7036.83 127.66 o
4 0 1 1702.79 2428.82 53.01 o
7 -1 1 2820.94 3283.86 223.58 o
8 0 2 8728.70 7684.64 590.35 o
9 1 2 6536.31 7679.91 684.50 o
2 0 3 4116.69 5372.69 51.60 o
2 0 4 6779.03 8191.64 116.64 o
2 0 4 6779.03 7821.39 97.54 o
2 0 5 19172.35 16565.56 241.96 o
2 0 6 17373.99 16423.79 390.17 o
-2 0 7 7789.63 7899.74 204.73 o
-2 0 8 5861.96 4939.50 279.52 o
-2 0 9 11114.91 9570.16 407.46 o
-2 0 5 8558.54 8926.19 96.30 o
-2 0 6 10261.85 11044.50 141.79 o
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-4 0 5 37528.88 40777.07 211.70 o
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-6 0 6 2563.06 2211.54 152.88 o
-4 0 4 58692.78 60715.49 244.24 o
-10 0 5 11349.30 8561.70 615.79 o
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-10 0 5 11349.30 9468.98 518.02 o
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-4 0 2 80660.49 76689.94 294.02 o
3 1 0 195.16 239.64 12.63 o
6 2 0 2261.07 3085.52 111.95 o
9 3 0 4183.30 5146.74 498.48 o
6 2 1 4317.04 4373.68 154.34 o
7 3 1 7424.54 5971.52 291.58 o
2 2 3 6215.81 5814.36 66.78 o
4 4 5 6564.29 4670.12 306.35 o
1 1 2 1362.30 1403.49 18.87 o
2 2 3 6215.81 6163.37 62.53 o
2 2 4 5662.70 6018.80 98.13 o
2 2 5 10793.08 10871.99 214.42 o
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6 -2 -1 9167.92 10827.58 176.09 o
8 -2 -1 9280.41 10300.62 378.56 o
8 -2 -1 9280.41 8365.59 285.12 o
9 -3 -1 9676.51 9320.21 391.13 o
10 -4 -1 9481.24 9236.29 549.94 o
4 -2 3 2044.49 2408.70 101.04 o
4 -2 4 1280.49 1341.12 126.91 o
5 -3 4 2225.48 2467.22 202.39 o
0 -2 5 2636.81 2735.01 73.07 o
-1 -3 7 2731.85 2354.38 178.94 o
-1 -3 9 3932.64 4908.92 460.14 o
-6 -2 9 7360.08 6465.20 394.63 o
-5 -1 3 3272.38 3530.28 82.64 o
6 0 -1 10351.44 15007.79 182.28 o
8 0 -1 3215.85 3356.86 245.58 o
12 0 -1 20703.02 23731.79 1455.12 o
4 0 0 6504.46 7010.23 81.98 o
6 0 0 5676.04 6325.83 132.53 o
12 0 -1 20703.02 18531.47 1077.20 o
4 0 3 5053.43 5162.39 118.35 o
4 0 4 26154.73 27389.96 385.35 o
5 -1 5 5171.48 4558.11 408.83 o
6 0 6 7392.33 7701.36 708.94 o
4 0 4 26154.73 27265.10 349.19 o
5 -1 5 5171.48 4311.67 344.39 o
5 -1 6 9586.69 8121.80 572.64 o
6 0 6 7392.33 8543.00 643.25 o
0 0 4 10641.93 10847.74 124.77 o
0 0 5 3266.49 2600.96 74.99 o
0 0 9 6625.88 5773.46 474.23 o
-2 0 9 11114.91 9323.11 495.09 o
-4 0 6 1432.07 1375.39 75.32 o
-6 0 8 25194.61 23006.54 488.24 o
-4 0 5 37528.88 40746.29 318.86 o
-6 0 4 2467.09 2451.44 85.71 o
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6 2 -1 9167.91 10727.00 165.65 o
8 2 -1 9280.40 10018.25 394.26 o
8 2 -1 9280.40 8252.46 277.79 o
9 3 -1 9676.50 8356.99 372.53 o
3 1 2 3851.72 4184.23 72.48 o
4 2 3 2044.49 2268.24 97.36 o
4 2 4 1280.48 1413.98 128.23 o
0 2 5 2636.81 2707.61 72.33 o
-1 3 9 3932.63 4664.08 461.65 o
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-3 1 5 2376.93 2499.78 77.09 o
11 -3 -4 12654.59 16262.89 588.47 o
8 -2 -2 5366.93 6349.91 161.11 o
11 -3 -3 5324.36 6590.79 373.41 o
6 -2 2 1682.95 2190.20 107.13 o
7 -3 3 5199.33 4416.86 312.09 o
3 -1 2 3851.72 4412.50 80.34 o
7 -3 3 5199.34 4233.31 290.72 o
2 -2 7 3264.17 3240.10 211.61 o
1 -3 8 6389.46 5544.39 367.05 o
-5 -3 10 8557.53 7876.59 454.03 o
-5 -3 11 24338.62 25425.23 825.67 o
-4 -2 8 11629.31 10466.04 255.66 o
-5 -3 10 8557.53 8124.85 428.61 o
-4 -2 8 11629.31 11823.62 274.49 o
-3 -1 5 2376.93 2572.81 73.24 o
-8 -2 7 2831.38 3047.00 243.87 o
-9 -3 7 4461.40 3372.65 296.72 o
-8 -2 6 2440.29 1849.90 172.33 o
-5 -1 4 13395.35 15038.61 199.23 o
6 0 -2 1215.01 1298.27 51.67 o
12 0 -4 6108.49 6367.48 492.96 o
14 0 -5 9924.00 14705.62 999.01 o
8 0 -2 10851.71 10945.80 184.34 o
4 0 2 1101.12 1207.32 45.94 o
6 0 2 14026.31 16963.02 234.26 o
8 0 4 6661.43 5808.94 485.47 o
4 0 2 1101.12 1278.33 47.12 o
8 0 4 6661.42 6222.94 440.01 o
0 0 4 10641.93 11528.07 136.87 o
0 0 5 3266.49 2722.33 71.96 o
0 0 9 6625.88 6878.00 432.91 o
-4 0 8 21606.44 22122.04 327.31 o
-4 0 9 3236.08 2500.61 195.26 o
-6 0 10 6783.77 6483.39 447.20 o
-4 0 7 2002.24 2474.22 96.90 o
-6 0 5 2164.04 1957.39 78.59 o
-8 0 6 3740.45 3674.07 175.22 o
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11 3 -4 12654.57 15966.18 584.50 o
8 2 -2 5366.93 6000.65 165.71 o
11 3 -3 5324.35 5726.38 346.18 o
6 2 2 1682.95 1846.57 99.55 o
7 3 3 5199.33 4350.71 354.28 o
2 2 7 3264.17 3555.22 205.42 o
-5 3 10 8557.54 8860.61 525.71 o
-5 3 11 24338.61 24308.96 753.91 o
-4 2 8 11629.30 10448.09 265.83 o
-5 3 10 8557.54 9182.28 472.97 o
-4 2 8 11629.30 10944.86 251.81 o
-3 1 5 2376.93 2392.31 78.29 o
-8 2 7 2831.38 2744.28 232.62 o
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-5 1 4 13395.34 14318.44 193.55 o
15 -3 -7 8652.75 13301.91 1112.36 o
5 -1 -2 17759.42 16701.06 177.65 o
10 -2 -4 9846.90 11432.41 290.82 o
11 -3 -5 9379.83 9233.58 319.06 o
15 -3 -7 8652.75 10564.68 795.49 o
9 -3 1 5177.91 5562.67 270.93 o
6 -2 1 4317.04 4726.34 101.69 o
11 -3 2 6830.49 6061.22 576.26 o
2 -2 5 10793.08 12346.85 180.63 o
2 -2 6 1106.90 1215.55 105.42 o
2 -2 7 3264.17 3704.06 209.66 o
-4 -2 10 5898.35 6520.60 379.32 o
-10 -2 10 10823.39 11731.31 592.41 o
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6 0 -3 3258.58 3274.63 83.42 o
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12 0 -6 3064.15 3501.76 342.85 o
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12 0 -5 4137.71 4685.10 331.60 o
14 0 -6 12041.42 11083.14 690.59 o
8 0 1 1599.79 1698.14 142.92 o
4 0 1 1702.79 1967.83 52.97 o
8 0 2 8728.70 7808.24 309.54 o
2 0 4 6779.03 8699.28 140.22 o
2 0 5 19172.35 17604.93 247.26 o
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-2 0 6 10261.85 11648.22 176.19 o
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5 1 -2 17759.43 15475.65 167.56 o
7 1 -3 6868.80 7037.82 124.09 o
10 2 -4 9846.89 11077.94 285.49 o
8 2 1 1525.08 1295.12 128.06 o
5 1 1 4677.85 4939.75 95.72 o
2 2 6 1106.89 1045.71 101.73 o
2 2 7 3264.17 2934.92 206.62 o
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13 -3 -9 11845.07 13337.04 438.32 o
5 -1 -3 3272.37 3700.71 45.26 o
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