#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2209531.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_2209531_Fobs
loop_
_publ_author_name
'Horvath, Ulrike E. I.'
'Cronje, Stephanie'
'Nogai, Stefan D.'
'Raubenheimer, Helgard G.'
_publ_section_title
;
 A second polymorph of
 (2-thiazolidinethionato)(triphenylphosphine)gold(I)
;
_journal_coeditor_code           HG2049
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1641
_journal_page_last               m1643
_journal_volume                  62
_journal_year                    2006
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                86.763
_cell_angle_beta                 87.498
_cell_angle_gamma                66.828
_cell_length_a                   8.8944
_cell_length_b                   10.6804
_cell_length_c                   11.4533
_exptl_crystal_F_000             556.00
_reflns_d_resolution_high        0.7894
_[local]_cod_data_source_file    hg2049Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' xm in P1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            263.62
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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 0 0 4083.51 4552.01 107.31 o
2 0 0 69493.54 81082.58 1220.48 o
3 0 0 12222.06 13517.82 217.21 o
4 0 0 4142.53 4174.94 82.27 o
5 0 0 6889.93 7344.98 152.23 o
6 0 0 473.31 463.40 28.33 o
7 0 0 4462.78 4521.41 103.33 o
8 0 0 249.06 213.81 45.53 o
9 0 0 2425.06 2478.68 121.62 o
10 0 0 1136.59 1327.42 92.76 o
-9 1 0 434.58 441.04 65.36 o
-8 1 0 1126.32 1156.37 81.30 o
-7 1 0 1759.56 1766.67 94.31 o
-6 1 0 724.47 767.03 41.83 o
-5 1 0 5819.01 6478.68 124.60 o
-4 1 0 688.21 727.49 28.38 o
-3 1 0 28553.49 33456.57 516.37 o
-2 1 0 452.39 543.34 18.32 o
-1 1 0 21691.72 23798.84 364.71 o
0 1 0 17480.50 18934.46 260.17 o
1 1 0 5421.90 5614.40 127.80 o
2 1 0 17132.21 20061.31 308.70 o
3 1 0 7735.19 7670.93 128.19 o
4 1 0 4928.63 5112.58 94.99 o
5 1 0 117.50 132.21 15.77 o
6 1 0 1957.92 1794.60 52.43 o
7 1 0 1608.87 1610.56 79.63 o
8 1 0 404.42 515.30 36.69 o
9 1 0 2717.30 2686.39 120.16 o
10 1 0 0.09 13.50 34.47 o
-9 2 0 80.31 77.07 48.86 o
-8 2 0 844.91 961.42 83.66 o
-7 2 0 223.84 220.32 50.73 o
-6 2 0 1054.73 1197.92 76.99 o
-5 2 0 1993.77 1824.00 53.18 o
-4 2 0 855.10 877.63 76.46 o
-3 2 0 13064.51 13388.65 220.17 o
-2 2 0 52.67 101.42 10.94 o
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0 2 0 283.81 361.98 11.30 o
1 2 0 9096.38 10551.75 145.12 o
2 2 0 4061.63 4086.74 102.92 o
3 2 0 3412.33 3964.71 104.71 o
4 2 0 6608.59 7383.61 127.95 o
5 2 0 365.89 418.35 22.48 o
6 2 0 3504.94 3712.79 81.74 o
7 2 0 185.88 227.15 23.69 o
8 2 0 2801.09 2739.97 76.11 o
9 2 0 1986.50 2103.34 69.17 o
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-8 3 0 621.98 801.84 88.78 o
-7 3 0 758.42 795.50 75.36 o
-6 3 0 2360.13 2600.38 120.97 o
-5 3 0 34.47 100.97 36.10 o
-4 3 0 8525.66 8450.34 294.01 o
-3 3 0 1912.25 1707.84 70.24 o
-2 3 0 12594.01 12004.09 199.56 o
-1 3 0 16161.15 15922.46 257.09 o
0 3 0 12607.22 13090.24 214.74 o
1 3 0 24163.67 24827.07 333.61 o
2 3 0 1411.71 1612.07 43.09 o
3 3 0 9847.96 10197.63 241.53 o
4 3 0 1848.03 1745.62 62.92 o
5 3 0 7038.93 6817.22 123.56 o
6 3 0 6292.34 6253.41 119.82 o
7 3 0 4067.88 3993.38 90.24 o
8 3 0 10236.24 10137.77 189.36 o
9 3 0 182.38 189.81 38.25 o
-8 4 0 7.08 7.80 52.52 o
-7 4 0 2112.00 2077.88 126.91 o
-6 4 0 866.20 817.77 77.15 o
-5 4 0 3747.79 3641.88 147.96 o
-4 4 0 5874.15 5695.29 185.28 o
-3 4 0 3403.61 3056.43 70.61 o
-2 4 0 21245.10 20043.66 325.69 o
-1 4 0 199.40 273.69 12.57 o
0 4 0 29273.76 31087.51 657.73 o
1 4 0 11918.24 12638.19 303.86 o
2 4 0 12226.28 12488.88 327.16 o
3 4 0 6977.14 7688.79 192.92 o
4 4 0 2588.76 2524.12 83.98 o
5 4 0 7341.22 7609.85 197.55 o
6 4 0 27.65 57.17 12.70 o
7 4 0 7710.30 7488.09 142.96 o
8 4 0 3449.97 3468.69 85.50 o
9 4 0 2753.26 2617.40 102.84 o
10 4 0 3840.35 4054.14 150.24 o
-7 5 0 530.41 489.49 84.22 o
-6 5 0 144.47 145.77 60.81 o
-5 5 0 4182.32 4069.75 167.88 o
-4 5 0 173.00 217.71 50.16 o
-3 5 0 11181.93 10857.19 300.56 o
-2 5 0 5767.97 5435.14 174.63 o
-1 5 0 4425.66 4530.10 64.07 o
0 5 0 6903.89 7255.73 177.17 o
1 5 0 214.04 212.90 18.09 o
2 5 0 3839.95 4056.88 73.77 o
3 5 0 579.27 587.78 33.94 o
4 5 0 4261.42 4681.03 136.90 o
5 5 0 2999.56 2982.64 100.97 o
6 5 0 2608.13 2542.09 92.92 o
7 5 0 7414.53 6989.47 135.29 o
8 5 0 232.13 224.58 24.69 o
9 5 0 5275.94 4889.55 162.19 o
10 5 0 504.66 524.21 57.40 o
11 5 0 1821.91 2103.00 105.85 o
-7 6 0 84.07 192.59 72.84 o
-6 6 0 1437.37 1276.37 107.72 o
-5 6 0 2425.25 2277.14 130.48 o
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-3 6 0 8416.08 7298.56 235.11 o
-2 6 0 1073.42 957.99 55.89 o
-1 6 0 8713.50 8161.85 133.29 o
0 6 0 2756.77 2621.33 58.90 o
1 6 0 4666.90 4421.35 93.07 o
2 6 0 3897.22 3273.88 67.66 o
3 6 0 451.76 489.37 23.90 o
4 6 0 9519.43 9691.63 252.27 o
5 6 0 121.56 103.82 25.28 o
6 6 0 9020.08 8976.94 240.72 o
7 6 0 2864.56 2595.26 101.54 o
8 6 0 3986.65 3670.03 88.22 o
9 6 0 4376.35 3890.73 141.62 o
10 6 0 545.80 577.62 59.43 o
11 6 0 1776.87 1980.32 102.35 o
-6 7 0 2146.56 2420.39 155.93 o
-5 7 0 31.85 78.21 62.52 o
-4 7 0 4630.77 4344.13 188.04 o
-3 7 0 912.42 821.35 76.18 o
-2 7 0 4313.53 3876.91 155.28 o
-1 7 0 3657.11 3560.79 88.69 o
0 7 0 1141.86 1085.02 37.42 o
1 7 0 8679.23 9052.71 149.66 o
2 7 0 22.04 22.48 13.72 o
3 7 0 7408.48 7147.76 169.33 o
4 7 0 2082.80 1972.03 86.83 o
5 7 0 4280.26 4380.63 146.82 o
6 7 0 9573.04 9569.03 260.72 o
7 7 0 789.93 702.90 55.36 o
8 7 0 8488.23 7953.90 231.54 o
9 7 0 260.08 320.15 48.29 o
10 7 0 3277.72 3380.92 138.04 o
11 7 0 631.68 673.63 66.83 o
-5 8 0 572.63 464.29 88.37 o
-4 8 0 2268.12 2143.33 134.14 o
-3 8 0 9.78 -35.93 35.93 o
-2 8 0 3790.74 3733.50 157.47 o
-1 8 0 331.49 445.10 58.94 o
0 8 0 1491.27 1605.67 57.57 o
1 8 0 973.91 992.02 38.98 o
2 8 0 420.14 440.81 30.25 o
3 8 0 4077.49 3930.94 83.91 o
4 8 0 259.60 292.35 43.98 o
5 8 0 7125.09 7376.36 221.13 o
6 8 0 1559.70 1512.86 82.19 o
7 8 0 4065.76 3985.77 147.39 o
8 8 0 5028.02 4371.20 156.17 o
9 8 0 430.82 555.51 60.73 o
10 8 0 2667.17 2449.00 115.77 o
-4 9 0 827.26 1025.08 95.77 o
-3 9 0 1536.64 1441.81 104.39 o
-2 9 0 2269.74 2154.95 120.16 o
-1 9 0 62.38 56.34 36.42 o
0 9 0 3096.99 3104.10 133.00 o
1 9 0 104.46 129.19 24.79 o
2 9 0 3279.13 3235.47 107.72 o
3 9 0 2887.51 2851.54 72.63 o
4 9 0 2650.51 2517.21 76.60 o
5 9 0 10609.89 10384.37 294.95 o
6 9 0 273.66 311.61 51.71 o
7 9 0 8925.63 8501.03 255.76 o
8 9 0 688.65 655.09 67.56 o
9 9 0 3248.11 2827.44 128.45 o
10 9 0 1187.66 1391.41 91.95 o
-3 10 0 2176.99 2323.16 134.55 o
-2 10 0 223.59 274.13 57.48 o
-1 10 0 1188.86 1155.64 87.48 o
0 10 0 809.73 853.38 71.14 o
1 10 0 714.62 726.23 68.86 o
2 10 0 3044.04 2930.82 89.63 o
3 10 0 343.69 394.68 39.61 o
4 10 0 5516.58 5566.97 133.43 o
5 10 0 406.60 555.59 66.50 o
6 10 0 4966.17 4573.63 174.46 o
7 10 0 2796.35 2846.39 131.86 o
8 10 0 1301.67 1502.46 97.56 o
9 10 0 2589.15 2645.50 130.89 o
10 10 0 44.40 84.71 45.77 o
-2 11 0 80.97 203.98 52.84 o
-1 11 0 545.96 624.04 70.16 o
0 11 0 30.57 17.24 35.12 o
1 11 0 923.34 1013.37 80.73 o
2 11 0 289.75 389.90 61.62 o
3 11 0 1687.14 1819.44 80.73 o
4 11 0 2831.86 2936.37 125.16 o
5 11 0 657.58 681.27 75.53 o
6 11 0 4560.71 4397.30 177.07 o
7 11 0 38.67 38.70 40.81 o
8 11 0 2429.51 2202.27 123.65 o
9 11 0 297.56 248.20 61.14 o
0 12 0 254.54 342.83 55.61 o
1 12 0 1722.99 1995.77 111.30 o
2 12 0 52.11 41.30 34.39 o
3 12 0 3707.69 3898.78 164.46 o
4 12 0 444.41 598.38 50.18 o
5 12 0 3098.90 3311.00 151.78 o
6 12 0 1738.49 1715.21 110.89 o
7 12 0 774.99 744.85 83.49 o
8 12 0 1958.23 1844.23 120.56 o
2 13 0 1909.97 2462.09 129.43 o
3 13 0 2717.71 3180.27 147.31 o
4 13 0 627.08 1042.56 84.39 o
5 13 0 4431.70 5190.60 201.94 o
6 13 0 11.78 28.13 42.84 o
7 13 0 2276.44 2242.51 132.27 o
-6 -13 1 688.33 780.86 86.34 o
-2 -13 1 944.97 1486.36 95.85 o
-8 -12 1 1437.40 1372.46 104.95 o
-7 -12 1 3092.05 2910.77 148.61 o
-6 -12 1 519.21 700.13 80.48 o
-5 -12 1 4815.86 5185.07 199.02 o
-3 -12 1 1739.95 2114.22 115.44 o
-2 -12 1 299.57 341.29 58.37 o
-1 -12 1 472.52 615.67 69.02 o
0 -12 1 437.13 551.20 69.67 o
-9 -11 1 51.08 30.89 45.45 o
-8 -11 1 4014.14 3565.22 160.81 o
-7 -11 1 668.48 725.34 80.57 o
-6 -11 1 2023.32 1840.09 109.35 o
-5 -11 1 3166.25 3087.11 141.46 o
-4 -11 1 444.93 484.83 43.08 o
-3 -11 1 2283.38 2246.57 117.07 o
-2 -11 1 20.83 43.01 33.98 o
-1 -11 1 1612.64 1536.93 95.85 o
0 -11 1 141.91 175.68 48.21 o
1 -11 1 842.66 669.65 76.18 o
2 -11 1 826.25 915.49 83.66 o
-10 -10 1 1016.65 984.19 86.74 o
-9 -10 1 732.61 838.26 78.70 o
-8 -10 1 5207.32 4982.96 188.85 o
-7 -10 1 237.73 211.37 52.44 o
-6 -10 1 5330.05 4777.04 177.72 o
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-3 -10 1 1164.03 1064.75 56.11 o
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-1 -10 1 2445.49 2429.25 117.39 o
0 -10 1 194.02 207.31 50.08 o
1 -10 1 3257.14 3137.11 143.90 o
2 -10 1 8.33 52.60 44.47 o
3 -10 1 2284.08 2387.38 138.04 o
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-9 -9 1 3186.15 3147.67 138.86 o
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-6 -9 1 4142.34 4099.99 154.95 o
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-4 -9 1 4390.29 4303.77 93.12 o
-3 -9 1 380.57 370.23 31.55 o
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-1 -9 1 16.57 3.33 28.70 o
0 -9 1 2503.06 2474.37 117.80 o
1 -9 1 1201.41 1162.47 83.17 o
2 -9 1 2153.09 2252.02 123.90 o
3 -9 1 3346.71 3133.12 156.74 o
4 -9 1 155.92 290.15 58.62 o
-10 -8 1 1925.33 1910.25 104.55 o
-9 -8 1 4340.18 4039.43 155.68 o
-8 -8 1 984.96 905.73 69.18 o
-7 -8 1 6818.76 6226.41 196.82 o
-6 -8 1 511.31 584.69 55.28 o
-5 -8 1 2810.32 2663.39 110.73 o
-4 -8 1 2220.89 2234.22 63.54 o
-3 -8 1 770.01 706.18 39.85 o
-2 -8 1 1892.50 1897.34 54.58 o
-1 -8 1 585.85 653.55 33.42 o
0 -8 1 3990.38 4117.62 169.10 o
1 -8 1 126.02 105.28 40.24 o
2 -8 1 3764.49 3684.56 156.50 o
3 -8 1 2484.04 2323.81 131.05 o
4 -8 1 1274.48 1353.52 106.17 o
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-10 -7 1 4464.54 4011.54 152.92 o
-9 -7 1 692.46 745.09 63.25 o
-8 -7 1 6492.42 6203.16 195.60 o
-7 -7 1 5388.95 5175.31 167.96 o
-6 -7 1 2001.98 2017.48 90.00 o
-5 -7 1 6179.56 6066.74 181.70 o
-4 -7 1 30.54 53.96 33.01 o
-3 -7 1 6190.26 6017.87 142.20 o
-2 -7 1 1187.91 1016.96 47.58 o
-1 -7 1 6276.59 6449.04 115.18 o
0 -7 1 6539.47 6224.41 119.97 o
1 -7 1 3077.86 3028.02 91.25 o
2 -7 1 6408.55 5744.96 200.56 o
3 -7 1 60.30 77.23 46.50 o
4 -7 1 3389.85 3252.63 156.99 o
5 -7 1 475.11 573.72 85.93 o
6 -7 1 1653.14 1810.17 136.01 o
-11 -6 1 2409.74 2551.93 120.56 o
-10 -6 1 2070.54 2033.17 101.78 o
-9 -6 1 1173.92 1200.11 75.61 o
-8 -6 1 5025.75 4755.41 158.04 o
-7 -6 1 0.37 -17.15 17.15 o
-6 -6 1 4805.55 4555.50 144.14 o
-5 -6 1 241.03 269.66 35.53 o
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-3 -6 1 2251.83 2021.68 68.61 o
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0 -6 1 3.71 19.01 20.27 o
1 -6 1 10770.74 9578.47 182.61 o
2 -6 1 2320.67 2281.96 75.54 o
3 -6 1 7241.90 6586.23 215.19 o
4 -6 1 2543.38 2291.94 120.32 o
5 -6 1 933.72 977.20 89.02 o
6 -6 1 1294.85 1359.94 109.35 o
7 -6 1 38.61 25.04 66.99 o
-11 -5 1 2612.53 2729.89 123.65 o
-10 -5 1 134.41 138.53 39.19 o
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-8 -5 1 1070.02 1037.76 64.79 o
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0 -5 1 5515.37 5234.90 91.61 o
1 -5 1 13085.33 13448.24 234.79 o
2 -5 1 13.59 33.21 21.97 o
3 -5 1 7705.72 7546.44 225.84 o
4 -5 1 839.75 763.63 67.56 o
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6 -5 1 244.66 223.89 63.74 o
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-7 -4 1 5460.77 5437.12 111.70 o
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-5 -4 1 1312.09 1259.95 57.88 o
-4 -4 1 8588.48 8634.93 215.76 o
-3 -4 1 648.46 683.74 30.50 o
-2 -4 1 18705.06 19382.76 266.87 o
-1 -4 1 251.27 197.61 16.58 o
0 -4 1 24045.91 23988.25 330.05 o
1 -4 1 6902.11 6534.58 119.66 o
2 -4 1 11087.04 10813.46 136.90 o
3 -4 1 6116.88 6014.87 181.70 o
4 -4 1 1033.41 915.33 64.63 o
5 -4 1 2898.53 2752.24 123.82 o
6 -4 1 30.06 10.89 39.43 o
7 -4 1 1472.98 1576.93 110.16 o
8 -4 1 17.31 54.39 57.72 o
-10 -3 1 3803.74 3830.57 147.72 o
-9 -3 1 1629.92 1661.56 86.91 o
-8 -3 1 1016.17 1080.51 45.65 o
-7 -3 1 5439.94 5311.59 110.60 o
-6 -3 1 130.60 121.29 18.66 o
-5 -3 1 7916.03 7871.24 139.35 o
-4 -3 1 6.91 5.93 12.03 o
-3 -3 1 17195.67 16988.93 297.23 o
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0 -3 1 23856.03 24203.65 326.93 o
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2 -3 1 18588.32 16829.15 269.28 o
3 -3 1 505.75 479.54 38.49 o
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7 -3 1 1384.50 1520.75 99.43 o
8 -3 1 308.19 275.60 63.98 o
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3 -2 1 3375.15 3159.52 63.54 o
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5 -2 1 363.94 337.30 43.74 o
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8 -2 1 2880.87 3001.50 141.95 o
9 -2 1 1366.48 1577.33 107.23 o
-9 -1 1 436.55 408.84 57.80 o
-8 -1 1 2981.63 3022.10 83.14 o
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-6 -1 1 5833.08 6124.85 121.66 o
-5 -1 1 1659.44 1649.03 46.48 o
-4 -1 1 10153.23 11753.59 230.52 o
-3 -1 1 13823.42 15221.91 253.08 o
-2 -1 1 9315.13 11520.62 181.42 o
-1 -1 1 22811.03 27287.17 468.88 o
1 -1 1 15511.43 17409.28 383.15 o
2 -1 1 2706.79 2544.54 48.22 o
3 -1 1 4305.29 4714.45 85.98 o
4 -1 1 2573.97 2578.97 57.60 o
5 -1 1 1948.49 1879.00 50.71 o
6 -1 1 3233.82 3368.97 124.55 o
7 -1 1 534.52 540.55 59.18 o
8 -1 1 3890.43 3713.42 152.03 o
9 -1 1 44.84 50.00 43.41 o
-9 0 1 2888.88 3172.15 139.99 o
-8 0 1 264.53 295.03 48.78 o
-7 0 1 3815.54 4024.67 97.24 o
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-3 0 1 3027.02 3192.55 63.55 o
-2 0 1 44245.09 51482.39 779.88 o
-1 0 1 2387.32 2649.55 40.20 o
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