#------------------------------------------------------------------------------
#$Date: 2016-05-28 04:36:26 +0300 (Sat, 28 May 2016) $
#$Revision: 183118 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/75/2107543.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_2107543
_cell_angle_alpha                90.000
_cell_angle_beta                 105.158
_cell_angle_gamma                90.000
_cell_length_a                   8.3919
_cell_length_b                   11.9978
_cell_length_c                   10.2245
_exptl_crystal_F_000             672.00
_reflns_d_resolution_high        0.7606
_cod_data_source_file            xk5029aPd_1sup4.hkl
_cod_data_source_block           aPd_1
_shelx_title                     ' aPdCl29S2O-21 in P21/n No14'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            264.88
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
0 2 0 1775.50 1979.34 21.36 o
1 2 0 72.43 75.85 4.64 o
1 3 0 2700.14 2805.34 20.96 o
0 4 0 18171.47 18449.03 78.54 o
1 4 0 60.25 68.62 3.23 o
2 4 0 443.56 428.58 52.17 o
1 5 0 3224.70 3222.24 35.21 o
2 5 0 40.61 41.96 7.07 o
0 6 0 8331.19 8126.85 52.46 o
1 6 0 3440.64 3354.79 25.96 o
2 6 0 2615.41 2637.90 37.66 o
1 7 0 8698.97 8603.18 68.44 o
2 7 0 1949.56 1931.24 28.28 o
0 8 0 732.94 777.85 17.64 o
1 8 0 3058.23 3095.37 30.64 o
2 8 0 500.92 498.04 18.21 o
1 9 0 1445.06 1455.62 24.59 o
2 9 0 1217.94 1233.12 32.52 o
0 10 0 7464.20 7368.90 125.70 o
1 10 0 708.07 715.79 22.98 o
2 10 0 6163.09 6150.12 112.35 o
1 11 0 5965.97 6183.79 78.61 o
2 11 0 1580.44 1633.87 43.46 o
0 12 0 1031.51 966.49 46.67 o
1 12 0 487.39 451.34 23.94 o
2 12 0 938.99 971.97 35.69 o
1 13 0 246.66 239.62 18.74 o
2 13 0 462.93 435.05 27.17 o
0 14 0 135.67 107.75 22.11 o
1 14 0 2.03 3.49 13.98 o
2 14 0 103.17 98.88 20.46 o
1 15 0 286.32 304.46 30.84 o
-1 0 1 19370.82 20183.91 137.56 o
-2 1 1 8490.34 8297.39 75.28 o
-1 1 1 11429.45 11812.21 65.50 o
-2 2 1 240.84 259.26 7.73 o
-1 2 1 265.98 257.09 3.96 o
0 2 1 22688.92 22609.14 94.50 o
-2 3 1 2.46 4.13 2.08 o
-1 3 1 6528.55 6633.55 27.26 o
0 3 1 7815.10 8071.23 40.68 o
-2 4 1 8.27 9.59 2.71 o
-1 4 1 6442.85 6616.44 26.48 o
0 4 1 24259.74 24337.79 100.31 o
1 4 1 1412.35 1446.86 36.86 o
-3 5 1 1486.19 1498.38 38.22 o
-2 5 1 13.37 11.97 2.59 o
-1 5 1 472.41 446.52 6.29 o
0 5 1 5006.05 4742.98 31.24 o
1 5 1 316.86 354.12 12.95 o
-3 6 1 6052.27 6002.76 54.47 o
-2 6 1 45.94 44.05 3.51 o
-1 6 1 2889.31 2772.81 18.26 o
0 6 1 8285.75 8386.53 39.91 o
1 6 1 4317.35 4294.50 40.62 o
-3 7 1 1916.34 1884.22 31.29 o
-2 7 1 4825.53 4827.00 38.34 o
-1 7 1 1744.31 1672.34 15.47 o
0 7 1 9865.20 9940.60 45.84 o
1 7 1 9101.07 9000.90 72.81 o
-3 8 1 401.40 398.63 16.98 o
-2 8 1 4962.51 5077.04 46.47 o
-1 8 1 16.65 20.10 4.85 o
0 8 1 8017.48 7900.31 47.72 o
1 8 1 5734.27 5608.42 62.79 o
2 8 1 3371.38 3368.74 106.67 o
-3 9 1 83.40 82.48 12.57 o
-2 9 1 2744.66 2711.10 34.57 o
-1 9 1 8512.93 8257.68 59.65 o
0 9 1 397.95 401.24 12.73 o
1 9 1 3943.12 3958.16 51.26 o
2 9 1 180.57 160.95 28.40 o
-3 10 1 3229.51 3256.18 67.81 o
-2 10 1 627.09 634.64 17.78 o
-1 10 1 6429.98 6280.00 68.31 o
0 10 1 3778.99 3752.57 51.44 o
1 10 1 319.82 298.12 18.13 o
2 10 1 666.11 796.73 105.72 o
-3 11 1 781.28 776.75 32.33 o
-2 11 1 3895.46 3810.04 55.27 o
-1 11 1 1518.58 1540.50 34.73 o
0 11 1 2016.55 2053.63 44.73 o
1 11 1 29.10 15.92 11.64 o
2 11 1 140.51 125.75 25.70 o
-3 12 1 2324.69 2270.49 63.27 o
-2 12 1 340.43 366.42 21.42 o
-1 12 1 354.04 340.10 20.30 o
0 12 1 1.37 19.06 12.55 o
1 12 1 249.05 225.19 18.36 o
2 12 1 1169.10 1208.78 67.40 o
-3 13 1 96.01 89.01 19.20 o
-2 13 1 9.71 24.57 16.41 o
-1 13 1 85.75 67.26 14.36 o
0 13 1 26.59 24.83 11.70 o
1 13 1 2004.83 2092.89 49.64 o
2 13 1 56.09 -21.87 54.54 o
-3 14 1 102.05 50.36 26.67 o
-2 14 1 294.11 292.98 22.27 o
-1 14 1 359.26 377.25 24.29 o
0 14 1 862.73 876.47 33.67 o
1 14 1 795.86 877.60 35.64 o
-2 15 1 276.67 255.90 35.21 o
-1 15 1 340.86 386.91 37.12 o
0 15 1 16.06 3.87 28.70 o
1 15 1 629.60 589.97 49.75 o
-2 0 2 58.46 53.25 3.15 o
-3 1 2 1134.05 1176.59 18.44 o
-2 1 2 1396.78 1351.55 10.58 o
-1 1 2 1349.78 1402.23 13.41 o
-3 2 2 28883.82 29076.31 127.77 o
-2 2 2 8525.90 8900.55 34.01 o
-1 2 2 15840.75 15974.64 71.27 o
-3 3 2 650.31 636.28 12.00 o
-2 3 2 4041.33 4006.09 22.07 o
-1 3 2 18211.51 18511.74 120.43 o
0 3 2 70162.09 64655.32 400.10 o
-4 4 2 3716.15 3653.91 101.04 o
-3 4 2 4039.23 3998.70 33.71 o
-2 4 2 215.34 193.85 5.10 o
-1 4 2 9360.47 9146.27 81.29 o
0 4 2 130.10 125.00 7.39 o
-4 5 2 1135.57 1093.42 37.99 o
-3 5 2 946.17 967.24 15.18 o
-2 5 2 135.59 125.77 4.25 o
-1 5 2 411.71 438.07 9.61 o
0 5 2 4463.35 4337.64 64.08 o
-4 6 2 2604.23 2511.04 39.24 o
-3 6 2 3247.57 3249.99 33.43 o
-2 6 2 506.36 471.53 8.17 o
-1 6 2 0.91 2.87 2.52 o
0 6 2 3423.11 3532.11 34.11 o
-4 7 2 4978.80 4992.07 53.78 o
-3 7 2 7952.15 7858.03 67.42 o
-2 7 2 3056.58 3078.65 27.80 o
-1 7 2 0.06 -0.73 3.92 o
0 7 2 7218.55 7054.54 70.65 o
1 7 2 1776.00 1797.70 47.72 o
-4 8 2 363.18 343.95 19.16 o
-3 8 2 10610.59 10601.38 75.49 o
-2 8 2 1701.37 1712.20 23.27 o
-1 8 2 7637.68 7648.68 57.58 o
0 8 2 149.91 157.63 10.38 o
1 8 2 1157.62 1206.31 37.23 o
-4 9 2 7630.46 7886.99 98.42 o
-3 9 2 44.21 46.68 7.45 o
-2 9 2 3823.93 3764.39 40.76 o
-1 9 2 1774.99 1730.71 27.12 o
0 9 2 2574.32 2618.88 38.19 o
1 9 2 706.45 722.59 22.79 o
-4 10 2 3570.25 3508.34 75.09 o
-3 10 2 1164.95 1234.62 26.21 o
-2 10 2 105.45 98.07 8.58 o
-1 10 2 939.28 939.10 21.54 o
0 10 2 156.20 162.27 12.62 o
1 10 2 1716.51 1740.19 42.92 o
-4 11 2 943.95 950.40 44.24 o
-3 11 2 370.69 388.48 17.16 o
-2 11 2 3.07 6.99 8.90 o
-1 11 2 10.30 24.50 9.79 o
0 11 2 12.60 2.25 10.22 o
1 11 2 626.78 625.57 37.78 o
-4 12 2 34.77 31.03 21.36 o
-3 12 2 768.93 794.45 31.21 o
-2 12 2 14.97 5.14 11.30 o
-1 12 2 1510.31 1545.72 40.14 o
0 12 2 363.27 366.93 21.34 o
1 12 2 498.58 468.06 43.35 o
-4 13 2 191.83 179.28 30.56 o
-3 13 2 169.54 171.52 20.57 o
-2 13 2 3573.62 3246.86 65.47 o
-1 13 2 2167.07 2112.01 53.57 o
0 13 2 1900.44 1953.62 47.35 o
1 13 2 14.92 12.59 21.45 o
-3 14 2 463.97 473.71 41.24 o
-2 14 2 150.63 211.96 21.17 o
-1 14 2 3147.54 3172.46 64.25 o
0 14 2 6.90 4.96 15.31 o
1 14 2 3404.42 3565.32 169.30 o
-2 15 2 1084.37 1092.99 68.43 o
-1 15 2 77.58 124.99 30.74 o
0 15 2 1052.76 966.49 53.35 o
-3 0 3 2569.48 2603.15 23.83 o
-1 0 3 21.35 45.61 6.35 o
-4 1 3 7404.10 7306.09 86.47 o
-3 1 3 4603.23 4676.87 24.01 o
-2 1 3 157.03 143.61 4.15 o
-1 1 3 2359.12 2389.30 34.24 o
-4 2 3 22836.70 22195.18 108.91 o
-3 2 3 3336.47 3356.64 25.55 o
-2 2 3 2065.42 2115.08 13.83 o
-1 2 3 8262.53 8427.03 94.09 o
-4 3 3 787.60 782.36 14.20 o
-3 3 3 17863.86 17789.45 101.36 o
-2 3 3 338.06 387.31 5.82 o
-1 3 3 8903.92 8950.03 101.84 o
-4 4 3 14611.25 14477.28 87.24 o
-3 4 3 4680.18 4642.34 29.42 o
-2 4 3 2985.64 2932.23 21.52 o
-1 4 3 11418.18 11197.59 61.28 o
-5 5 3 424.71 485.72 30.43 o
-4 5 3 1685.83 1731.19 24.32 o
-3 5 3 4370.08 4348.73 34.53 o
-2 5 3 7521.44 7479.77 35.59 o
-1 5 3 1218.52 1317.22 19.76 o
0 5 3 39855.46 37919.45 426.81 o
-5 6 3 398.64 439.24 28.32 o
-4 6 3 410.31 453.67 14.07 o
-3 6 3 3722.91 3666.05 29.68 o
-2 6 3 165.27 158.65 6.02 o
-1 6 3 18895.76 18557.25 104.45 o
0 6 3 21.48 20.88 7.55 o
-5 7 3 1025.94 969.26 42.81 o
-4 7 3 252.47 256.57 14.38 o
-3 7 3 606.03 653.29 13.76 o
-2 7 3 75.16 73.15 5.25 o
-1 7 3 3495.68 3380.05 41.31 o
0 7 3 7590.90 7646.56 70.94 o
-5 8 3 135.84 140.63 24.91 o
-4 8 3 7204.79 7178.64 119.41 o
-3 8 3 2417.61 2487.19 31.56 o
-2 8 3 848.47 875.86 17.54 o
-1 8 3 315.83 319.89 12.76 o
0 8 3 2079.53 2084.36 36.60 o
-5 9 3 4179.34 3961.39 214.71 o
-4 9 3 31.94 16.17 9.80 o
-3 9 3 3208.63 3276.81 48.45 o
-2 9 3 47.70 29.64 7.23 o
-1 9 3 272.54 281.59 12.80 o
0 9 3 186.84 209.09 13.19 o
-5 10 3 293.27 286.11 50.66 o
-4 10 3 103.21 120.50 17.41 o
-3 10 3 565.14 587.32 19.68 o
-2 10 3 248.38 242.98 13.47 o
-1 10 3 318.35 294.37 13.79 o
0 10 3 160.25 162.52 11.79 o
-5 11 3 158.56 248.39 44.04 o
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-3 11 3 55.94 44.89 10.46 o
-2 11 3 1795.27 1785.63 33.68 o
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0 11 3 3268.66 3335.24 54.77 o
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0 12 3 6.53 2.06 14.15 o
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-3 13 3 1871.04 1953.83 54.77 o
-2 13 3 709.37 669.54 29.17 o
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-2 2 4 2249.65 2239.46 21.44 o
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-4 3 4 1414.30 1335.86 18.71 o
-3 3 4 954.52 965.65 10.46 o
-2 3 4 1749.38 1837.00 16.09 o
-1 3 4 440.36 482.36 29.37 o
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-3 4 4 1114.57 1172.57 12.75 o
-2 4 4 3133.49 3244.16 24.02 o
-1 4 4 1838.35 1747.72 52.34 o
-5 5 4 11235.79 11139.38 86.71 o
-4 5 4 240.00 247.94 9.16 o
-3 5 4 24827.04 24556.51 97.65 o
-2 5 4 13.03 11.01 4.41 o
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-5 6 4 236.23 238.09 12.71 o
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-3 6 4 227.13 237.45 7.87 o
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-5 7 4 702.77 706.05 22.59 o
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-3 7 4 3943.45 4022.78 56.83 o
-2 7 4 121.62 114.93 7.26 o
-1 7 4 202.73 222.22 11.76 o
-5 8 4 541.94 543.19 22.70 o
-4 8 4 707.20 710.65 21.64 o
-3 8 4 101.77 79.05 11.91 o
-2 8 4 190.08 184.85 10.00 o
-1 8 4 682.21 661.49 20.75 o
-5 9 4 24.29 20.72 10.15 o
-4 9 4 6.88 5.79 8.83 o
-3 9 4 548.70 495.32 19.86 o
-2 9 4 288.90 234.93 14.70 o
-1 9 4 745.65 762.92 23.88 o
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-3 10 4 781.03 805.84 25.99 o
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-1 10 4 1161.67 1162.28 33.25 o
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-3 11 4 3016.48 2995.88 52.63 o
-2 11 4 577.13 539.03 21.05 o
-1 11 4 2675.85 2677.80 50.58 o
-5 12 4 1767.62 1826.10 44.97 o
-4 12 4 3537.78 3608.37 58.98 o
-3 12 4 601.53 598.92 25.25 o
-2 12 4 3550.81 3438.43 90.77 o
-1 12 4 85.57 76.56 14.95 o
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-3 13 4 690.89 662.06 35.81 o
-2 13 4 130.21 130.39 17.91 o
-1 13 4 686.71 672.64 30.94 o
-4 14 4 2.36 96.33 52.72 o
-3 14 4 0.45 -24.04 24.20 o
-2 14 4 133.95 97.19 26.66 o
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-3 0 5 4397.46 4420.15 40.09 o
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-5 1 5 1097.78 1148.27 21.03 o
-4 1 5 14877.68 14873.80 59.51 o
-3 1 5 1314.41 1214.36 17.30 o
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-5 2 5 734.63 741.36 18.06 o
-4 2 5 10157.33 9980.73 50.78 o
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-3 3 5 10356.80 10212.28 70.07 o
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-6 4 6 2.16 -3.66 8.21 o
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-2 4 6 59.25 41.46 18.07 o
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