#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/32/2203273.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_2203273_Fobs
loop_
_publ_author_name
'Sakai, Ken'
'Sakai, Itsuki'
'Kajiwara, Takashi'
'Ito, Tasuku'
_publ_section_title
;
 Di-\m-\a-pyrrolidinonato-bis[<i>cis</i>-diamminechloroplatinum(III)]
 sulfate dihydrate: a head-to-head isomer
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m255
_journal_page_last               m258
_journal_volume                  60
_journal_year                    2004
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                88.908
_cell_angle_beta                 78.705
_cell_angle_gamma                66.753
_cell_length_a                   8.9056
_cell_length_b                   9.8646
_cell_length_c                   13.6190
_exptl_crystal_F_000             776.00
_reflns_d_resolution_high        0.8300
_[local]_cod_data_source_file    cf6324Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title
' sakai63b in P-1     2003/12/19 14:12:57 030 KENX'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            354.17
_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 8694.69 6757.22 431.05 o
2 0 0 12.27 86.89 61.52 o
3 0 0 19796.19 21046.24 1080.42 o
4 0 0 12126.68 10183.36 257.26 o
5 0 0 2250.46 2335.30 223.44 o
6 0 0 108.87 281.69 111.66 o
7 0 0 6366.76 6170.20 291.37 o
8 0 0 1690.88 1945.85 233.47 o
9 0 0 14.20 132.71 160.82 o
-9 1 0 16.53 -57.70 169.84 o
-8 1 0 1912.21 2165.61 238.06 o
-7 1 0 14.86 43.73 174.34 o
-6 1 0 5120.21 4811.43 383.87 o
-5 1 0 24.17 8.89 110.02 o
-4 1 0 7856.69 8529.55 404.14 o
-3 1 0 33043.57 32871.15 428.59 o
-2 1 0 3793.79 3837.52 133.35 o
-1 1 0 1115.76 1555.26 117.00 o
0 1 0 16817.91 12983.42 3071.30 o
1 1 0 45486.01 52624.48 1791.07 o
2 1 0 1440.81 1112.28 127.05 o
3 1 0 76.14 334.91 86.34 o
4 1 0 45583.25 42206.66 1151.61 o
5 1 0 481.33 576.97 169.45 o
6 1 0 222.86 252.54 117.54 o
7 1 0 5074.86 5043.63 389.32 o
8 1 0 2183.95 2442.05 230.40 o
9 1 0 878.42 1262.49 208.66 o
-8 2 0 67.54 11.72 188.96 o
-7 2 0 3998.79 4155.86 389.83 o
-6 2 0 1568.41 1713.52 210.87 o
-5 2 0 346.42 282.75 217.82 o
-4 2 0 7845.47 6365.20 234.51 o
-3 2 0 19.06 30.46 91.63 o
-2 2 0 10211.02 9251.42 206.59 o
-1 2 0 1174.57 1125.79 82.17 o
0 2 0 19873.17 25174.87 1080.33 o
1 2 0 80033.80 116886.00 1900.62 o
2 2 0 2947.14 3063.95 202.60 o
3 2 0 766.01 1196.24 88.55 o
4 2 0 6010.54 7986.10 832.46 o
5 2 0 22064.66 21725.88 1050.96 o
6 2 0 428.89 521.70 129.12 o
7 2 0 5.20 195.14 136.76 o
8 2 0 11682.78 12818.35 1618.76 o
9 2 0 16.15 88.92 160.77 o
10 2 0 1.78 108.56 179.62 o
-8 3 0 0.34 -159.93 197.37 o
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-6 3 0 2159.43 1965.21 224.68 o
-5 3 0 3890.22 3337.69 225.10 o
-4 3 0 393.72 170.73 141.87 o
-3 3 0 24799.62 25079.05 1895.85 o
-2 3 0 7186.21 6235.21 325.97 o
-1 3 0 18.93 52.00 65.08 o
0 3 0 2762.79 2681.26 84.83 o
1 3 0 356.57 310.80 76.61 o
2 3 0 8921.33 11826.06 239.55 o
3 3 0 204.12 148.51 61.60 o
4 3 0 11881.41 12278.66 229.04 o
5 3 0 45592.15 48148.04 952.53 o
6 3 0 17.39 -24.61 132.16 o
7 3 0 2155.80 1669.97 180.79 o
8 3 0 2820.53 2940.65 271.81 o
9 3 0 5229.26 6050.63 942.48 o
10 3 0 124.81 397.79 182.60 o
-7 4 0 17.77 -130.11 190.46 o
-6 4 0 4788.80 4951.49 308.93 o
-5 4 0 11.37 10.81 137.80 o
-4 4 0 69.89 49.89 129.92 o
-3 4 0 7881.65 6856.63 250.77 o
-2 4 0 6424.82 7066.37 273.68 o
-1 4 0 5654.80 5091.18 299.05 o
0 4 0 259.17 216.10 63.35 o
1 4 0 31760.65 37542.57 1021.16 o
2 4 0 15594.88 16308.15 450.97 o
3 4 0 168.50 245.87 111.96 o
4 4 0 7614.60 8302.82 442.59 o
5 4 0 1426.96 1367.52 174.38 o
6 4 0 22025.50 21477.61 389.83 o
7 4 0 72.39 65.23 156.85 o
8 4 0 1182.45 1237.78 192.02 o
9 4 0 5580.82 5720.41 442.97 o
10 4 0 278.57 349.51 194.32 o
-6 5 0 324.32 399.74 188.93 o
-5 5 0 3341.21 2924.63 246.33 o
-4 5 0 477.44 501.14 158.84 o
-3 5 0 1036.86 827.98 149.20 o
-2 5 0 23826.55 20542.91 841.48 o
-1 5 0 63.90 -2.72 70.46 o
0 5 0 31.45 26.61 63.00 o
1 5 0 10168.35 10865.30 280.22 o
2 5 0 14454.05 15762.19 341.69 o
3 5 0 8905.75 11792.82 312.97 o
4 5 0 578.16 674.67 104.71 o
5 5 0 25524.10 27004.11 371.77 o
6 5 0 8100.69 8382.34 577.19 o
7 5 0 318.77 411.46 177.46 o
8 5 0 4742.48 4780.84 330.39 o
9 5 0 18.66 395.01 186.07 o
10 5 0 3651.38 4262.11 321.85 o
-6 6 0 544.40 692.03 206.41 o
-5 6 0 2083.84 2598.71 582.62 o
-4 6 0 273.30 238.84 161.79 o
-3 6 0 472.42 365.39 150.66 o
-2 6 0 2233.32 2138.45 174.73 o
-1 6 0 12298.93 11281.49 289.43 o
0 6 0 692.23 528.83 138.05 o
1 6 0 1927.16 1836.30 162.50 o
2 6 0 47068.09 53255.22 842.34 o
3 6 0 280.55 137.20 131.84 o
4 6 0 6.88 27.79 120.96 o
5 6 0 4547.20 4994.59 227.16 o
6 6 0 11963.12 12431.35 581.49 o
7 6 0 5810.67 5651.97 231.32 o
8 6 0 36.64 212.38 162.47 o
9 6 0 6072.82 5392.28 259.02 o
10 6 0 1051.39 1245.78 213.92 o
-5 7 0 57.45 249.65 183.20 o
-4 7 0 1946.79 1703.97 207.29 o
-3 7 0 27.61 -42.73 184.61 o
-2 7 0 2030.18 2256.11 201.25 o
-1 7 0 10047.72 9141.13 302.21 o
0 7 0 1063.49 1152.37 111.08 o
1 7 0 427.90 444.83 134.43 o
2 7 0 1516.44 1524.79 184.45 o
3 7 0 16411.54 17565.29 427.44 o
4 7 0 242.82 101.82 146.87 o
5 7 0 63.90 -33.66 137.78 o
6 7 0 16223.07 16531.19 457.54 o
7 7 0 473.03 923.38 279.30 o
8 7 0 15.96 134.90 172.90 o
9 7 0 2963.26 2431.30 319.15 o
-4 8 0 511.25 575.30 353.22 o
-3 8 0 123.29 -28.64 146.20 o
-2 8 0 832.55 635.58 253.08 o
-1 8 0 18.11 186.12 154.86 o
0 8 0 6945.54 6532.62 427.81 o
1 8 0 62.25 44.12 146.60 o
2 8 0 5181.80 5368.45 343.51 o
3 8 0 22062.68 23153.98 530.38 o
4 8 0 437.85 375.89 149.93 o
5 8 0 96.86 193.26 165.01 o
6 8 0 720.75 773.89 195.20 o
7 8 0 12338.30 12346.43 448.25 o
8 8 0 1577.05 1641.09 382.68 o
9 8 0 69.88 399.45 383.70 o
-3 9 0 961.60 758.55 350.49 o
-2 9 0 78.62 163.15 242.86 o
-1 9 0 3806.19 3604.90 566.78 o
0 9 0 1346.08 1503.38 203.32 o
1 9 0 1062.39 1193.67 204.71 o
2 9 0 574.75 560.73 171.24 o
3 9 0 546.88 389.41 172.31 o
4 9 0 9900.86 10765.63 401.66 o
5 9 0 33.35 -5.47 175.25 o
6 9 0 2107.19 1978.68 234.22 o
7 9 0 9852.85 10278.29 975.52 o
8 9 0 415.25 622.29 216.64 o
9 9 0 279.29 321.60 358.32 o
-1 10 0 485.11 499.00 230.94 o
0 10 0 1211.84 1110.26 194.83 o
1 10 0 1298.11 1274.99 193.14 o
2 10 0 67.87 88.41 157.67 o
3 10 0 6725.21 6934.40 343.73 o
4 10 0 3150.92 3605.86 279.11 o
5 10 0 665.64 583.72 189.30 o
6 10 0 888.65 1217.98 240.67 o
7 10 0 575.03 660.22 227.94 o
8 10 0 7638.37 7218.94 657.55 o
1 11 0 1.72 -12.38 162.85 o
2 11 0 197.16 342.80 171.63 o
3 11 0 422.38 549.88 279.64 o
4 11 0 2956.20 3356.85 280.27 o
5 11 0 2637.27 2744.39 252.20 o
6 11 0 12.64 -31.85 228.21 o
7 11 0 5639.14 5610.69 368.16 o
-7 -11 1 955.56 1036.27 448.59 o
-6 -11 1 145.94 261.11 213.60 o
-5 -11 1 200.11 535.17 266.36 o
-4 -11 1 5051.29 5304.16 323.28 o
-3 -11 1 423.13 374.24 169.93 o
-2 -11 1 375.95 457.87 176.76 o
-1 -11 1 3327.32 3185.33 306.21 o
-8 -10 1 708.43 1025.03 492.87 o
-7 -10 1 8213.11 7381.42 388.13 o
-6 -10 1 35.27 -15.36 196.97 o
-5 -10 1 4852.54 5047.39 303.46 o
-4 -10 1 6576.39 7132.46 355.40 o
-3 -10 1 1035.67 981.27 200.91 o
-2 -10 1 2.91 -154.47 154.47 o
-1 -10 1 2.00 266.03 158.16 o
0 -10 1 2696.21 2502.55 386.08 o
1 -10 1 244.05 274.19 215.61 o
-9 -9 1 76.70 16.98 228.72 o
-8 -9 1 6266.66 6266.42 599.65 o
-7 -9 1 935.17 1213.19 241.73 o
-6 -9 1 2381.61 2449.67 266.09 o
-5 -9 1 1528.96 1341.09 211.12 o
-4 -9 1 734.64 593.00 172.00 o
-3 -9 1 9734.81 9621.22 777.45 o
-2 -9 1 19.41 55.83 165.88 o
-1 -9 1 2789.82 2791.31 223.27 o
0 -9 1 5153.21 4966.00 506.49 o
1 -9 1 151.26 325.53 168.80 o
2 -9 1 12.86 -97.07 291.56 o
3 -9 1 0.40 -56.20 299.06 o
-9 -8 1 255.37 389.66 275.22 o
-8 -8 1 1057.48 1380.55 377.06 o
-7 -8 1 9231.13 10127.51 429.61 o
-6 -8 1 5850.32 6426.14 341.82 o
-5 -8 1 55.92 69.65 170.58 o
-4 -8 1 12625.81 13601.63 610.38 o
-3 -8 1 2483.63 2755.80 227.53 o
-2 -8 1 3713.60 3619.51 249.16 o
-1 -8 1 618.58 614.37 146.79 o
0 -8 1 1688.40 1472.74 177.24 o
1 -8 1 6946.43 5604.50 450.46 o
2 -8 1 26.98 35.76 239.45 o
3 -8 1 593.81 436.67 285.43 o
4 -8 1 1033.30 411.46 329.03 o
-9 -7 1 275.19 140.67 237.41 o
-8 -7 1 291.35 687.46 210.50 o
-7 -7 1 11469.10 10897.68 434.65 o
-6 -7 1 490.46 886.97 197.32 o
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1 -7 1 2248.72 2199.07 144.47 o
2 -7 1 1352.57 1315.52 153.09 o
3 -7 1 378.16 327.28 154.95 o
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5 -7 1 2017.09 2329.04 395.96 o
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-8 -6 1 3.39 118.53 127.83 o
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-5 -6 1 2824.22 3161.04 222.22 o
-4 -6 1 807.53 1009.76 165.06 o
-3 -6 1 23505.60 29048.02 1398.39 o
-2 -6 1 328.67 150.71 129.70 o
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0 -6 1 745.18 884.16 135.18 o
1 -6 1 13897.64 12470.39 249.72 o
2 -6 1 5509.68 5042.78 253.86 o
3 -6 1 125.63 26.73 122.96 o
4 -6 1 1752.62 1772.84 192.19 o
5 -6 1 332.33 245.37 180.89 o
6 -6 1 289.07 352.35 197.98 o
-10 -5 1 495.00 633.70 209.82 o
-9 -5 1 6634.69 6074.28 332.72 o
-8 -5 1 343.63 360.01 165.03 o
-7 -5 1 1074.62 1013.81 136.43 o
-6 -5 1 13445.68 12855.84 294.32 o
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-4 -5 1 2.59 -37.58 121.60 o
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-1 -5 1 2361.06 2311.37 154.05 o
0 -5 1 337.41 222.06 99.02 o
1 -5 1 17433.22 17824.41 484.48 o
2 -5 1 16.75 -69.44 86.65 o
3 -5 1 612.66 567.06 221.06 o
4 -5 1 171.64 202.30 152.57 o
5 -5 1 3255.42 3187.06 228.99 o
6 -5 1 1733.45 1891.28 242.67 o
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-10 -4 1 2742.32 3129.23 291.12 o
-9 -4 1 603.79 950.87 222.82 o
-8 -4 1 2812.89 3003.25 251.52 o
-7 -4 1 958.63 1112.05 137.61 o
-6 -4 1 3619.42 3542.82 281.01 o
-5 -4 1 45817.73 55188.73 1526.48 o
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0 -4 1 39.32 25.71 80.40 o
1 -4 1 140.50 100.46 65.33 o
2 -4 1 31344.02 27725.43 653.81 o
3 -4 1 3135.20 3647.30 217.14 o
4 -4 1 177.38 120.13 134.62 o
5 -4 1 5163.44 4193.20 241.13 o
6 -4 1 170.05 319.65 183.17 o
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-10 -3 1 136.32 212.27 194.95 o
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-8 -3 1 2739.51 2600.53 233.27 o
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0 -3 1 43.81 104.65 76.22 o
1 -3 1 938.06 907.32 71.33 o
2 -3 1 14799.81 15345.76 286.59 o
3 -3 1 4467.73 4310.71 222.08 o
4 -3 1 11.75 -32.38 108.58 o
5 -3 1 0.31 -19.01 131.01 o
6 -3 1 10963.91 11010.00 464.43 o
7 -3 1 224.38 96.44 190.54 o
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-10 -2 1 0.45 84.35 236.22 o
-9 -2 1 4583.57 4956.19 500.19 o
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-7 -2 1 1483.25 1378.81 172.85 o
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-4 -2 1 15945.58 19745.34 477.88 o
-3 -2 1 36.64 54.31 78.35 o
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0 -2 1 32165.06 32509.79 1464.47 o
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9 2 1 1328.13 1828.81 264.32 o
10 2 1 121.26 134.37 165.17 o
-8 3 1 9.06 -20.94 213.97 o
-7 3 1 2237.86 2391.72 275.85 o
-6 3 1 2395.56 2465.60 260.23 o
-5 3 1 769.32 411.06 155.28 o
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-3 3 1 531.76 445.92 115.96 o
-2 3 1 18024.77 18208.29 2003.14 o
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0 3 1 1335.41 1277.69 100.58 o
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