#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2203309.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_2203309_Fobs
loop_
_publ_author_name
'Sakai, Ken'
'Sakai, Itsuki'
'Draper, Neil D.'
'Leznoff, Daniel B.'
_publ_section_title
;
 Di-\m-\a-pyrrolidinonato-bis[<i>cis</i>-diammineplatinum(II)] sulfate
 monohydrate as a head-to-head isomer
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m273
_journal_page_last               m276
_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                99.569
_cell_angle_beta                 93.538
_cell_angle_gamma                95.146
_cell_length_a                   6.8587
_cell_length_b                   10.2287
_cell_length_c                   12.8955
_exptl_crystal_F_000             688.00
_reflns_d_resolution_high        0.8300
_[local]_cod_data_source_file    lh6164Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title
'[Pt(II)2(NH3)4(a-pyrrolidinonato)2](ClO4)      2003/12/15 14:11:44 022 KENX'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            299.24
_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 0 778.96 895.72 52.01 o
2 0 0 3006.73 2994.48 130.32 o
3 0 0 10628.99 12136.11 775.45 o
4 0 0 1978.01 1908.59 170.36 o
5 0 0 4804.48 4582.10 138.85 o
6 0 0 23.62 -57.65 302.68 o
-6 1 0 9755.68 8014.91 301.79 o
-5 1 0 4.90 129.72 144.13 o
-4 1 0 6568.29 6017.57 368.13 o
-3 1 0 6703.82 6131.51 246.77 o
-2 1 0 31336.37 33454.59 1423.86 o
-1 1 0 5780.17 6075.26 301.42 o
1 1 0 18510.02 19652.82 911.64 o
2 1 0 1123.53 1123.14 95.28 o
3 1 0 29118.24 27967.72 819.09 o
4 1 0 12357.46 12978.63 928.92 o
5 1 0 138.46 305.59 112.43 o
6 1 0 8137.25 8240.78 382.62 o
-6 2 0 5386.23 4967.68 271.96 o
-5 2 0 8384.64 8045.11 330.62 o
-4 2 0 28.99 31.71 86.48 o
-3 2 0 37007.65 36621.02 1429.08 o
-2 2 0 2589.10 2496.44 101.25 o
-1 2 0 508.68 516.49 57.71 o
0 2 0 46072.80 50898.79 1903.79 o
1 2 0 384.30 294.22 100.96 o
2 2 0 831.79 779.11 129.85 o
3 2 0 312.04 233.56 173.01 o
4 2 0 15176.58 15604.62 1029.81 o
5 2 0 278.25 360.40 118.21 o
6 2 0 1645.03 1315.95 277.04 o
-6 3 0 1301.03 1338.72 320.25 o
-5 3 0 7899.43 8096.69 478.32 o
-4 3 0 274.62 383.47 141.28 o
-3 3 0 2587.17 2612.28 141.59 o
-2 3 0 28190.96 28561.81 2526.99 o
-1 3 0 1236.32 1438.08 127.06 o
0 3 0 13243.60 13778.02 946.76 o
1 3 0 8468.31 7829.38 778.27 o
2 3 0 185.87 259.49 106.68 o
3 3 0 34833.52 35427.45 1648.27 o
4 3 0 1085.61 1099.18 164.44 o
5 3 0 296.73 458.43 170.11 o
6 3 0 2280.43 2194.21 311.81 o
-6 4 0 6837.65 6319.21 784.83 o
-5 4 0 3757.91 3852.68 436.42 o
-4 4 0 34.20 172.96 112.42 o
-3 4 0 12501.42 11816.05 836.30 o
-2 4 0 1426.90 1590.61 155.89 o
-1 4 0 82.15 164.32 95.13 o
0 4 0 1126.51 1134.36 173.18 o
1 4 0 33683.38 31511.31 2788.14 o
2 4 0 1926.37 1903.05 173.27 o
3 4 0 3606.21 3428.76 459.67 o
4 4 0 13994.33 13310.08 1123.98 o
5 4 0 74.81 -2.88 144.14 o
6 4 0 4968.91 3048.78 980.58 o
-6 5 0 73.05 129.72 247.92 o
-5 5 0 14365.07 14715.75 457.05 o
-4 5 0 550.76 472.94 210.52 o
-3 5 0 12006.62 12450.42 713.03 o
-2 5 0 21549.23 20293.49 1007.48 o
-1 5 0 9.32 123.95 103.77 o
0 5 0 14361.54 14514.86 639.97 o
1 5 0 1016.68 836.73 173.12 o
2 5 0 3039.16 3248.22 465.27 o
3 5 0 5430.18 5137.54 567.30 o
4 5 0 3892.03 4301.02 291.94 o
5 5 0 2110.81 2191.05 239.60 o
6 5 0 48.72 83.60 259.44 o
-7 6 0 621.47 224.96 227.84 o
-6 6 0 2626.47 2391.19 300.34 o
-5 6 0 143.66 187.39 288.29 o
-4 6 0 1542.47 1289.93 181.80 o
-3 6 0 101.33 187.38 221.98 o
-2 6 0 23136.29 21997.47 1200.56 o
-1 6 0 2035.60 1897.08 187.69 o
0 6 0 1028.63 1154.03 115.40 o
1 6 0 24687.16 23229.92 1590.20 o
2 6 0 656.28 726.78 138.43 o
3 6 0 2958.25 3036.00 508.41 o
4 6 0 3265.41 3221.30 369.80 o
5 6 0 503.63 559.42 164.37 o
6 6 0 902.59 579.81 274.04 o
-7 7 0 212.22 273.90 193.17 o
-6 7 0 1659.79 1212.16 225.12 o
-4 7 0 989.89 1075.94 227.88 o
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-2 7 0 3846.42 3755.09 355.56 o
-1 7 0 3288.32 3161.38 239.85 o
0 7 0 897.07 957.67 222.11 o
1 7 0 4014.71 4163.21 424.99 o
2 7 0 5388.10 5671.49 289.36 o
3 7 0 179.11 144.15 155.68 o
4 7 0 6297.22 6751.24 338.72 o
5 7 0 2155.05 2032.54 332.02 o
6 7 0 220.96 377.70 161.46 o
-6 8 0 45.42 132.60 259.44 o
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-3 8 0 7.11 11.53 175.84 o
-2 8 0 19711.17 18364.74 1548.66 o
-1 8 0 264.86 233.53 181.64 o
0 8 0 141.03 178.74 245.05 o
1 8 0 6367.50 6639.08 773.06 o
2 8 0 1068.51 1052.92 161.54 o
3 8 0 464.21 478.66 121.11 o
4 8 0 1.42 236.37 141.25 o
5 8 0 2121.45 2185.88 303.19 o
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-4 9 0 4790.57 4809.92 399.14 o
-3 9 0 146.46 441.08 285.41 o
-2 9 0 236.04 377.68 392.10 o
-1 9 0 6700.65 6550.31 587.85 o
0 9 0 6.61 98.01 345.91 o
1 9 0 8008.52 7724.12 994.14 o
2 9 0 3498.80 3444.34 514.34 o
3 9 0 11.31 -23.06 178.72 o
4 9 0 2835.00 2626.12 225.34 o
-5 10 0 2915.11 3156.00 274.56 o
-4 10 0 678.58 856.58 294.18 o
-3 10 0 46.21 121.07 170.08 o
-2 10 0 3475.60 3025.42 673.28 o
-1 10 0 1531.41 1506.32 352.05 o
0 10 0 476.39 493.09 184.55 o
1 10 0 229.19 374.80 147.04 o
2 10 0 3855.16 3778.17 248.60 o
3 10 0 76.31 37.48 181.62 o
-4 11 0 3644.26 3583.72 526.42 o
-3 11 0 169.20 37.48 149.92 o
-2 11 0 1370.19 1007.09 545.38 o
-1 11 0 1823.47 1792.55 430.10 o
0 11 0 45.76 221.97 161.43 o
1 11 0 3011.72 3039.67 525.87 o
2 11 0 53.83 216.21 273.86 o
-2 12 0 69.88 77.84 175.85 o
-1 12 0 3008.94 2983.22 265.95 o
0 12 0 317.85 305.65 213.38 o
0 -12 1 3.24 170.07 167.19 o
1 -12 1 0.97 83.60 216.20 o
2 -12 1 2740.39 2838.04 485.53 o
-2 -11 1 3049.46 2915.96 158.95 o
-1 -11 1 1853.01 1506.87 225.16 o
0 -11 1 201.59 614.09 380.56 o
1 -11 1 1284.67 1382.08 354.90 o
2 -11 1 32.60 54.77 230.61 o
3 -11 1 196.78 345.97 207.58 o
4 -11 1 319.55 363.31 279.69 o
-4 -10 1 876.22 995.33 251.00 o
-3 -10 1 626.88 553.73 276.87 o
-2 -10 1 41.93 343.04 152.78 o
-1 -10 1 4648.09 5182.42 488.74 o
0 -10 1 51.10 95.13 259.44 o
1 -10 1 1710.08 1699.86 481.96 o
2 -10 1 7892.21 6889.54 762.28 o
3 -10 1 20.89 123.95 247.91 o
4 -10 1 1463.86 1679.54 176.03 o
5 -10 1 411.91 152.83 484.45 o
-5 -9 1 1004.92 1162.85 222.18 o
-4 -9 1 1570.05 1443.05 141.42 o
-3 -9 1 494.15 582.49 161.48 o
-2 -9 1 3368.48 3290.88 317.82 o
-1 -9 1 1.19 80.71 181.60 o
0 -9 1 2572.90 2445.87 490.91 o
1 -9 1 93.27 172.97 207.56 o
2 -9 1 8127.00 7382.71 686.97 o
3 -9 1 912.30 1049.92 245.17 o
4 -9 1 1.80 17.30 371.86 o
5 -9 1 6487.53 6914.47 202.77 o
6 -9 1 571.94 550.87 233.62 o
-5 -8 1 28.71 -20.18 181.61 o
-4 -8 1 5334.89 5581.47 347.21 o
-3 -8 1 1046.26 946.17 178.85 o
-2 -8 1 1688.78 1965.33 233.76 o
-1 -8 1 10034.62 9611.10 957.92 o
0 -8 1 1162.52 1393.44 239.45 o
1 -8 1 3299.94 3175.39 407.40 o
2 -8 1 6113.05 5865.10 512.40 o
3 -8 1 2664.50 2939.87 320.56 o
4 -8 1 828.08 651.84 314.38 o
5 -8 1 1514.33 1820.87 225.08 o
6 -8 1 2946.63 2701.51 314.94 o
-6 -7 1 190.37 239.30 187.40 o
-5 -7 1 620.77 801.72 204.76 o
-4 -7 1 135.34 155.68 141.26 o
-3 -7 1 4066.33 3847.51 557.90 o
-2 -7 1 340.67 519.00 181.65 o
-1 -7 1 7692.84 8018.69 881.30 o
0 -7 1 17930.69 16422.58 1408.23 o
1 -7 1 66.82 123.96 184.50 o
2 -7 1 20373.86 18162.79 1375.08 o
3 -7 1 299.56 222.01 204.71 o
4 -7 1 5.19 -103.77 167.19 o
5 -7 1 6451.84 7174.68 515.37 o
6 -7 1 224.44 475.71 357.50 o
-6 -6 1 1768.88 897.70 450.30 o
-5 -6 1 251.72 343.09 236.41 o
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-3 -6 1 0.98 95.13 193.13 o
-2 -6 1 6.59 115.30 256.55 o
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0 -6 1 16123.42 16285.08 785.91 o
1 -6 1 3.51 95.13 118.19 o
2 -6 1 179.04 184.51 147.03 o
3 -6 1 17689.22 15301.37 1501.22 o
4 -6 1 6.20 270.97 170.07 o
5 -6 1 5774.04 6213.37 373.32 o
6 -6 1 3579.48 3797.24 323.66 o
-6 -5 1 3374.08 2063.16 733.95 o
-5 -5 1 0.68 187.37 250.79 o
-4 -5 1 4839.41 5226.61 344.20 o
-3 -5 1 17728.36 17430.81 1194.77 o
-2 -5 1 56.79 135.49 161.43 o
-1 -5 1 21278.21 20668.25 1225.46 o
0 -5 1 7850.31 7485.20 368.89 o
1 -5 1 280.31 429.62 103.80 o
2 -5 1 11843.66 12135.19 681.62 o
3 -5 1 2660.73 2429.47 158.88 o
4 -5 1 1844.57 2017.67 152.99 o
5 -5 1 1412.27 1892.84 279.89 o
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0 -4 1 28904.47 27648.93 1358.76 o
1 -4 1 299.67 273.94 63.44 o
2 -4 1 13071.96 11889.61 1007.59 o
3 -4 1 33275.60 31419.47 1702.04 o
4 -4 1 65.00 132.61 126.84 o
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0 -3 1 935.53 1065.21 95.26 o
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2 -3 1 304.20 441.20 129.76 o
3 -3 1 24683.46 20903.60 1734.10 o
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5 -3 1 366.64 556.49 213.37 o
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0 -2 1 61145.16 69359.88 2673.32 o
1 -2 1 289.20 262.46 54.80 o
2 -2 1 1572.92 1736.08 101.10 o
3 -2 1 2892.20 3240.83 159.01 o
4 -2 1 5813.87 5120.88 541.63 o
5 -2 1 1485.63 1509.23 109.66 o
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0 -1 1 35740.66 39292.18 1178.15 o
1 -1 1 16142.02 16376.35 967.01 o
2 -1 1 177.49 155.70 63.43 o
3 -1 1 31160.67 32126.74 1996.39 o
4 -1 1 1705.81 1968.75 181.86 o
5 -1 1 254.77 392.11 112.44 o
-6 0 1 11022.97 9633.68 476.31 o
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-1 0 1 12943.12 13641.36 510.32 o
1 0 1 50921.64 53658.00 2399.21 o
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3 0 1 6328.87 5901.84 293.06 o
4 0 1 15927.77 15520.65 1340.61 o
5 0 1 262.32 461.30 198.94 o
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6 1 1 177.30 161.45 268.11 o
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-1 2 1 90.99 109.56 63.43 o
0 2 1 649.68 594.58 95.25 o
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2 2 1 4218.44 4218.08 278.11 o
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6 2 1 4354.84 4079.46 309.36 o
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-3 3 1 12565.81 12347.98 720.35 o
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0 3 1 5613.48 5773.28 296.36 o
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3 3 1 2328.99 2339.59 265.73 o
4 3 1 16469.17 16924.95 752.87 o
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6 3 1 391.68 472.87 253.74 o
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2 9 1 1016.47 1139.43 187.50 o
3 9 1 1316.79 1624.45 331.82 o
4 9 1 67.93 -25.94 216.21 o
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-4 10 1 2803.38 3573.57 205.11 o
-3 10 1 630.16 320.12 239.37 o
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-1 10 1 8776.58 9080.67 806.27 o
0 10 1 149.56 320.00 247.93 o
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2 10 1 3066.05 3458.36 369.82 o
3 10 1 196.94 219.11 141.27 o
-4 11 1 595.78 692.23 175.94 o
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-1 11 1 130.67 369.01 167.21 o
0 11 1 1822.92 2049.54 519.60 o
1 11 1 73.79 135.49 187.38 o
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