#------------------------------------------------------------------------------
#$Date: 2017-03-15 09:29:35 +0200 (Wed, 15 Mar 2017) $
#$Revision: 194258 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/1/54/55/1545566.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_1545566
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   6.6460
_cell_length_b                   7.0733
_cell_length_c                   17.4356
_exptl_crystal_F_000             640.00
_reflns_d_resolution_high        0.6710
_cod_data_source_file            wm4042Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' K[Au(CN)4]H2O in P2(1)2(1)2(1)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            294.87
_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 86948.18 80603.88 3579.22 o
4 0 0 41013.45 38596.91 2717.69 o
6 0 0 24833.42 24501.44 1007.34 o
8 0 0 16666.86 17234.47 467.76 o
1 1 0 49646.38 50226.75 1031.25 o
2 1 0 2801.72 2914.89 67.54 o
3 1 0 21576.62 20305.48 556.16 o
4 1 0 32.22 55.38 11.04 o
5 1 0 16791.05 16077.66 518.80 o
6 1 0 275.42 309.10 22.90 o
7 1 0 9642.04 9498.65 190.12 o
8 1 0 818.70 825.85 57.37 o
9 1 0 3986.78 3937.85 152.49 o
0 2 0 51478.41 51878.04 1530.99 o
1 2 0 8165.96 8684.44 158.88 o
2 2 0 38340.25 37623.62 720.44 o
3 2 0 2283.66 2228.23 44.97 o
4 2 0 24341.27 23923.90 430.54 o
5 2 0 359.91 376.62 19.72 o
6 2 0 9502.28 9222.37 172.42 o
7 2 0 400.08 391.09 21.37 o
8 2 0 5688.98 5649.41 158.94 o
9 2 0 942.43 937.69 86.30 o
1 3 0 42.09 365.36 60.69 o
2 3 0 1216.65 1189.33 38.76 o
3 3 0 1202.58 1310.28 33.25 o
4 3 0 2263.71 2249.86 48.08 o
5 3 0 398.01 426.29 20.59 o
6 3 0 2221.77 2127.84 52.91 o
7 3 0 23.77 39.94 37.26 o
8 3 0 2255.04 2237.94 136.96 o
9 3 0 98.57 72.43 35.96 o
0 4 0 792.60 951.60 82.73 o
1 4 0 34.34 75.06 24.71 o
2 4 0 899.14 1056.12 79.33 o
3 4 0 401.92 410.88 23.58 o
4 4 0 584.43 782.33 153.64 o
5 4 0 958.27 921.87 30.73 o
6 4 0 600.96 626.57 24.78 o
7 4 0 1361.40 1427.28 100.62 o
8 4 0 273.18 187.24 65.78 o
9 4 0 867.44 847.02 90.73 o
1 5 0 17175.41 17060.69 315.64 o
2 5 0 133.30 154.51 27.68 o
3 5 0 13993.75 13621.70 248.59 o
4 5 0 753.84 735.19 40.65 o
5 5 0 8004.84 7767.64 154.52 o
6 5 0 2340.67 2335.87 112.36 o
7 5 0 4378.81 4403.13 202.37 o
8 5 0 1376.37 1453.63 129.34 o
0 6 0 17092.56 17011.36 471.55 o
1 6 0 158.67 188.71 33.68 o
2 6 0 21510.24 21875.71 431.30 o
3 6 0 396.43 399.89 37.37 o
4 6 0 15233.39 14448.54 314.93 o
5 6 0 11.52 23.66 26.08 o
6 6 0 11828.11 11767.59 334.02 o
7 6 0 52.56 52.42 51.81 o
8 6 0 3442.87 3436.37 220.27 o
1 7 0 18835.66 19433.17 407.02 o
2 7 0 31.75 54.84 37.90 o
3 7 0 15478.12 15609.44 337.81 o
4 7 0 55.28 55.71 24.39 o
5 7 0 13347.79 13012.07 374.91 o
6 7 0 12.01 47.99 53.92 o
7 7 0 6127.64 6046.59 258.42 o
0 8 0 15522.29 15959.47 737.91 o
1 8 0 8.27 21.79 28.64 o
2 8 0 14423.38 14381.60 325.00 o
3 8 0 9.56 27.64 35.96 o
4 8 0 7566.75 7619.49 216.64 o
5 8 0 115.38 121.07 66.94 o
6 8 0 6573.75 6058.89 321.96 o
1 9 0 3331.99 3548.44 165.98 o
2 9 0 37.69 36.29 31.27 o
3 9 0 2685.97 2714.19 139.87 o
4 9 0 37.69 43.39 61.34 o
5 9 0 1516.60 1352.90 274.56 o
0 10 0 768.55 824.11 221.61 o
1 10 0 27.52 18.85 27.97 o
2 10 0 726.94 731.87 110.14 o
3 10 0 233.99 68.21 85.78 o
1 0 1 183.42 268.76 10.49 o
2 0 1 2279.82 2545.84 49.89 o
3 0 1 1090.65 1044.31 28.29 o
4 0 1 0.36 43.30 12.75 o
5 0 1 2157.17 2121.98 49.65 o
6 0 1 59.05 89.47 21.63 o
7 0 1 2410.86 2395.00 60.60 o
8 0 1 21.83 39.79 24.27 o
9 0 1 1670.43 1724.88 190.63 o
-9 1 1 1226.10 1285.97 102.99 o
-8 1 1 1832.90 1888.88 84.29 o
-7 1 1 3245.14 3236.54 80.63 o
-6 1 1 1961.01 1957.62 49.94 o
-5 1 1 5976.48 5894.86 101.58 o
-4 1 1 2061.20 2038.80 42.80 o
-3 1 1 9029.06 8837.26 130.74 o
-2 1 1 595.92 637.81 23.94 o
-1 1 1 14613.93 14214.54 304.84 o
0 1 1 2.59 100.57 13.28 o
1 1 1 14959.45 14596.36 271.55 o
2 1 1 613.19 628.02 24.54 o
3 1 1 9698.70 9179.21 129.86 o
4 1 1 1756.48 1686.68 41.05 o
5 1 1 6795.07 6640.32 118.02 o
6 1 1 1500.89 1508.48 55.04 o
7 1 1 3332.63 3321.28 77.10 o
8 1 1 1933.90 1921.37 96.23 o
9 1 1 1551.65 1552.16 139.30 o
-9 2 1 637.95 565.33 91.77 o
-8 2 1 6788.33 6812.20 183.74 o
-7 2 1 1766.29 1740.82 48.63 o
-6 2 1 11279.58 11379.59 266.18 o
-5 2 1 1016.89 1069.70 40.42 o
-4 2 1 26277.11 25662.58 437.99 o
-3 2 1 1750.65 1820.53 37.40 o
-2 2 1 36583.08 36412.12 596.19 o
-1 2 1 3383.11 3628.26 95.00 o
0 2 1 56267.73 57301.85 1052.51 o
1 2 1 3995.54 4217.67 81.29 o
2 2 1 35025.59 34483.36 739.01 o
3 2 1 2236.25 2351.28 43.44 o
4 2 1 25065.82 24525.29 514.09 o
5 2 1 1171.90 1145.11 33.26 o
6 2 1 11122.88 10904.38 191.34 o
7 2 1 1880.71 1801.46 76.44 o
8 2 1 6381.19 6234.78 183.09 o
9 2 1 751.94 620.57 160.40 o
-9 3 1 5920.53 5681.35 209.56 o
-8 3 1 109.11 138.68 44.60 o
-7 3 1 11507.08 11635.06 300.87 o
-6 3 1 257.00 259.87 18.87 o
-5 3 1 20361.62 20277.09 369.91 o
-4 3 1 290.70 331.97 16.97 o
-3 3 1 42493.77 40630.09 1121.56 o
-2 3 1 323.18 374.15 17.26 o
-1 3 1 54898.59 57035.15 1047.62 o
0 3 1 357.21 431.78 27.02 o
1 3 1 54071.61 55424.15 1022.34 o
2 3 1 227.19 278.95 19.35 o
3 3 1 41568.92 40843.77 942.05 o
4 3 1 176.91 220.43 12.65 o
5 3 1 21029.30 21053.66 555.15 o
6 3 1 145.78 165.90 11.71 o
7 3 1 12563.45 12666.37 298.83 o
8 3 1 54.88 73.35 48.15 o
9 3 1 6245.72 5909.03 202.34 o
-9 4 1 258.12 176.23 44.77 o
-8 4 1 6874.56 7087.59 235.37 o
-7 4 1 309.97 290.71 49.75 o
-6 4 1 16419.23 16865.30 336.12 o
-5 4 1 1308.47 1384.58 41.28 o
-4 4 1 32309.51 32490.87 597.76 o
-3 4 1 2036.85 2063.90 54.99 o
-2 4 1 42871.62 42028.45 790.40 o
-1 4 1 1899.45 1919.09 49.38 o
0 4 1 30336.29 29868.88 546.01 o
1 4 1 2061.62 2077.99 50.00 o
2 4 1 41100.39 40634.81 747.00 o
3 4 1 1898.22 1913.83 62.39 o
4 4 1 31572.53 30975.55 578.74 o
5 4 1 1300.13 1291.76 32.99 o
6 4 1 16433.12 16866.97 406.53 o
7 4 1 175.90 188.39 61.35 o
8 4 1 6714.82 6947.09 249.58 o
9 4 1 239.64 232.08 67.09 o
-8 5 1 260.91 146.33 77.77 o
-7 5 1 5083.48 5273.73 191.45 o
-6 5 1 422.29 370.09 72.65 o
-5 5 1 10511.99 10225.41 211.64 o
-4 5 1 683.41 687.94 33.12 o
-3 5 1 15548.90 15071.98 300.78 o
-2 5 1 204.06 233.52 26.48 o
-1 5 1 20637.33 20408.96 377.59 o
0 5 1 1364.42 1374.61 52.86 o
1 5 1 21128.64 21036.73 381.88 o
2 5 1 338.49 367.12 32.31 o
3 5 1 15851.74 15456.54 279.59 o
4 5 1 909.74 907.97 42.46 o
5 5 1 10610.87 10459.20 203.06 o
6 5 1 660.00 669.60 95.79 o
7 5 1 5099.81 5173.34 195.72 o
8 5 1 416.62 292.02 99.43 o
-8 6 1 685.38 641.56 134.93 o
-7 6 1 1230.87 1324.34 98.90 o
-6 6 1 2521.80 2460.04 144.96 o
-5 6 1 1839.61 1691.38 68.39 o
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0 6 1 4645.00 4778.77 120.34 o
1 6 1 373.53 382.12 38.79 o
2 6 1 4954.03 5014.49 129.90 o
3 6 1 1096.82 1039.38 53.27 o
4 6 1 3292.14 3161.93 101.11 o
5 6 1 1433.22 1390.79 95.10 o
6 6 1 2495.41 2612.04 146.39 o
7 6 1 980.29 971.72 116.24 o
8 6 1 807.65 855.65 116.25 o
-7 7 1 1.77 33.09 59.95 o
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-5 7 1 42.06 186.33 121.76 o
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-3 7 1 105.37 165.07 32.07 o
-2 7 1 541.75 533.69 61.54 o
-1 7 1 99.79 306.09 81.23 o
0 7 1 221.96 246.64 46.16 o
1 7 1 76.26 194.51 47.79 o
2 7 1 744.47 734.64 56.62 o
3 7 1 114.63 221.26 59.30 o
4 7 1 1018.92 986.85 50.63 o
5 7 1 47.75 96.54 63.43 o
6 7 1 1375.46 1372.85 110.12 o
7 7 1 1.90 17.25 62.14 o
-6 8 1 1413.32 1375.84 173.34 o
-5 8 1 947.45 916.32 99.45 o
-4 8 1 1752.48 1806.19 94.41 o
-3 8 1 370.68 389.86 48.11 o
-2 8 1 3424.34 3451.70 135.06 o
-1 8 1 288.19 310.76 48.67 o
0 8 1 3297.65 3369.01 131.97 o
1 8 1 213.53 225.99 50.47 o
2 8 1 3202.49 3342.22 129.04 o
3 8 1 274.94 271.36 43.56 o
4 8 1 1692.05 1509.26 128.07 o
5 8 1 661.18 626.18 106.37 o
6 8 1 1384.18 1324.01 164.29 o
-4 9 1 341.94 255.23 107.88 o
-3 9 1 6310.73 6136.29 216.18 o
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0 9 1 192.82 122.39 43.29 o
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2 9 1 521.70 509.08 73.34 o
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4 9 1 403.00 365.01 99.51 o
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-3 10 1 9.48 -17.94 81.03 o
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3 1 2 69303.50 67327.22 1310.88 o
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6 1 2 660.98 667.74 32.46 o
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8 1 2 371.13 383.61 49.79 o
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-6 2 2 4219.03 4214.49 90.51 o
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0 2 2 20582.32 20172.90 336.87 o
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3 2 2 737.71 707.25 19.76 o
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5 2 2 2630.38 2711.41 46.98 o
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7 2 2 1327.32 1280.72 69.03 o
8 2 2 2782.63 2718.28 110.99 o
9 2 2 1337.30 1338.46 95.48 o
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-8 3 2 1111.28 1157.54 80.89 o
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-2 3 2 172.08 255.81 23.79 o
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0 3 2 2.34 36.29 16.63 o
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2 3 2 126.03 204.18 21.32 o
3 3 2 3699.09 3729.69 68.92 o
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6 3 2 1316.83 1334.27 68.30 o
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-9 4 2 1975.73 1952.73 131.02 o
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