#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/70/2207043.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_2207043_Fobs
loop_
_publ_author_name
'Khripun, Anatoly V.'
'Haukka, Matti'
'Nikolaeva, Dina N.'
'Kukushkin, Vadim Yu.'
_publ_section_title
;
 <i>fac</i>-Trichloro(pyrazolato)bis(pyrazole)platinum(IV)
;
_journal_coeditor_code           OB6588
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2069
_journal_page_last               m2071
_journal_volume                  61
_journal_year                    2005
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 94.888
_cell_angle_gamma                90.000
_cell_length_a                   6.8307
_cell_length_b                   13.5005
_cell_length_c                   7.6421
_exptl_crystal_F_000             472.00
_reflns_d_resolution_high        0.7713
_[local]_cod_data_source_file    ob6588Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title
' Compound I in P2(1)/m (SIR2K2, yellow plate)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            225.48
_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+1/2, -z'
'-x, -y, -z'
'x, -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
1 0 0 677.82 580.74 182.43 o
2 0 0 117.62 134.92 19.47 o
3 0 0 1781.82 1603.30 44.77 o
4 0 0 779.83 735.86 40.95 o
5 0 0 14509.39 13572.90 328.23 o
6 0 0 9016.17 8485.31 234.94 o
7 0 0 19.28 53.91 34.14 o
8 0 0 2719.68 2790.88 174.48 o
1 1 0 22120.78 18499.14 346.67 o
2 1 0 7280.80 6172.44 108.64 o
3 1 0 5279.68 4926.58 89.63 o
4 1 0 9157.70 7954.78 138.29 o
5 1 0 5754.05 5617.66 101.75 o
6 1 0 2559.13 2485.96 56.54 o
7 1 0 3764.48 3912.57 127.64 o
8 1 0 17.31 16.12 25.96 o
0 2 0 36792.63 34436.32 1105.36 o
1 2 0 6358.11 5685.53 95.65 o
2 2 0 4189.54 3702.20 65.73 o
3 2 0 7697.41 6859.01 120.32 o
4 2 0 17.83 25.39 9.14 o
5 2 0 7323.24 7233.58 130.55 o
6 2 0 7168.14 6865.15 131.73 o
7 2 0 1185.44 1134.13 53.77 o
8 2 0 4119.75 4213.18 167.18 o
1 3 0 11317.36 9811.46 144.05 o
2 3 0 5774.12 5123.88 88.83 o
3 3 0 1450.99 1299.76 27.38 o
4 3 0 17289.63 16317.77 268.86 o
5 3 0 3773.94 3662.25 71.58 o
6 3 0 1786.75 1803.71 45.19 o
7 3 0 3234.40 3315.51 113.06 o
8 3 0 7.99 18.41 27.61 o
0 4 0 19067.93 18301.01 737.00 o
1 4 0 59.49 55.44 11.61 o
2 4 0 10398.47 9479.51 142.70 o
3 4 0 17047.72 15398.36 255.06 o
4 4 0 1766.38 1787.18 38.53 o
5 4 0 4715.95 4781.64 88.39 o
6 4 0 1085.66 1060.71 31.75 o
7 4 0 1508.70 1498.44 54.79 o
8 4 0 7252.95 7424.96 294.29 o
1 5 0 11161.71 10386.47 192.76 o
2 5 0 8160.37 7656.54 117.56 o
3 5 0 3655.56 3421.83 63.25 o
4 5 0 12914.13 12230.34 206.03 o
5 5 0 2262.34 2335.65 50.08 o
6 5 0 830.90 787.23 27.87 o
7 5 0 3149.29 3163.89 146.18 o
8 5 0 4.84 -24.13 29.05 o
0 6 0 27015.46 24424.13 1304.52 o
1 6 0 2479.80 2392.40 37.59 o
2 6 0 5315.73 5090.33 79.12 o
3 6 0 7561.58 7443.52 147.92 o
4 6 0 6.91 -4.17 7.75 o
5 6 0 5293.01 5336.79 102.10 o
6 6 0 3446.97 3494.26 76.70 o
7 6 0 596.08 597.53 33.19 o
8 6 0 3624.23 3825.64 176.69 o
1 7 0 10781.04 10404.78 162.78 o
2 7 0 4598.71 4475.99 79.57 o
3 7 0 2024.49 1957.72 36.02 o
4 7 0 8329.05 8366.97 136.04 o
5 7 0 3336.68 3351.02 62.90 o
6 7 0 2254.39 2233.89 50.55 o
7 7 0 2506.40 2498.54 105.31 o
8 7 0 82.26 96.62 28.56 o
0 8 0 38439.28 36821.18 1205.89 o
1 8 0 3359.32 3228.57 58.17 o
2 8 0 102.65 113.19 18.73 o
3 8 0 2500.16 2593.90 46.84 o
4 8 0 483.26 502.52 16.61 o
5 8 0 9016.99 9087.38 153.21 o
6 8 0 7954.19 8015.05 152.07 o
7 8 0 66.09 60.83 22.47 o
1 9 0 7654.79 7523.67 234.75 o
2 9 0 3449.78 3336.33 66.97 o
3 9 0 1337.16 1332.38 48.95 o
4 9 0 6363.37 6516.28 111.24 o
5 9 0 3644.64 3711.56 73.72 o
6 9 0 1984.92 1983.98 82.75 o
7 9 0 2796.35 2963.53 222.41 o
0 10 0 21368.75 22267.71 843.63 o
1 10 0 1269.75 1295.61 100.77 o
2 10 0 1884.82 1965.18 56.50 o
3 10 0 2651.32 2794.89 82.87 o
4 10 0 21.71 17.10 11.97 o
5 10 0 5157.80 5369.73 155.05 o
6 10 0 3837.15 4094.52 224.92 o
7 10 0 316.26 277.99 36.94 o
1 11 0 6723.41 6796.50 161.14 o
2 11 0 2842.39 2924.92 153.37 o
3 11 0 1934.48 1855.40 50.90 o
4 11 0 5457.82 5729.06 237.30 o
5 11 0 1930.66 2015.21 61.32 o
6 11 0 645.45 587.56 47.36 o
0 12 0 5626.33 5994.59 255.51 o
1 12 0 226.79 236.29 13.23 o
2 12 0 5118.21 4956.85 125.03 o
3 12 0 6172.50 6257.52 180.50 o
4 12 0 495.36 461.93 23.81 o
5 12 0 1530.21 1545.85 79.48 o
6 12 0 860.40 852.38 78.69 o
1 13 0 3971.49 3999.90 143.86 o
2 13 0 1938.31 1813.01 65.35 o
3 13 0 400.15 410.60 34.35 o
4 13 0 6682.53 6872.47 178.72 o
5 13 0 946.70 870.17 54.82 o
0 14 0 5017.48 5637.34 247.63 o
1 14 0 600.43 555.42 42.60 o
2 14 0 1382.36 1326.60 54.42 o
3 14 0 4013.95 4129.19 164.83 o
4 14 0 120.77 94.11 38.21 o
5 14 0 2497.68 2375.40 114.96 o
1 15 0 2276.22 2364.35 143.76 o
2 15 0 2836.06 2718.53 164.33 o
3 15 0 1014.84 932.74 94.79 o
4 15 0 2710.08 2477.58 193.92 o
0 16 0 10605.79 11074.74 604.68 o
1 16 0 1109.22 1188.72 105.21 o
2 16 0 173.85 222.11 69.01 o
3 16 0 905.90 1071.55 117.37 o
1 17 0 3271.12 3336.51 218.51 o
2 17 0 767.25 712.37 103.01 o
-8 0 1 1825.91 1917.79 128.73 o
-7 0 1 41.32 58.25 23.11 o
-6 0 1 10290.70 9744.32 304.95 o
-5 0 1 16431.03 14972.24 608.09 o
-4 0 1 1156.72 1044.99 35.71 o
-3 0 1 2622.51 2334.82 62.52 o
-2 0 1 1022.85 910.38 28.88 o
-1 0 1 2539.74 2538.29 66.44 o
1 0 1 11947.64 11559.23 314.03 o
2 0 1 3348.89 3464.41 90.81 o
3 0 1 10988.55 9937.35 243.35 o
4 0 1 34.88 19.81 14.37 o
5 0 1 8291.21 8063.27 198.78 o
6 0 1 4257.65 4062.36 121.00 o
7 0 1 18.49 1.14 25.58 o
8 0 1 3613.17 3704.92 218.91 o
-8 1 1 74.74 88.08 29.01 o
-7 1 1 3836.78 3914.36 124.80 o
-6 1 1 3150.97 3087.97 67.09 o
-5 1 1 3905.96 3895.80 78.17 o
-4 1 1 8443.39 7405.92 133.72 o
-3 1 1 4004.77 3850.00 70.79 o
-2 1 1 7355.16 6226.28 109.08 o
-1 1 1 21820.34 20048.14 292.20 o
0 1 1 218.79 280.23 11.88 o
1 1 1 16086.53 14749.17 247.68 o
2 1 1 11437.61 10096.07 172.89 o
3 1 1 586.97 584.94 16.30 o
4 1 1 8979.56 8323.28 148.11 o
5 1 1 1891.80 1765.65 40.69 o
6 1 1 4290.48 4131.34 87.86 o
7 1 1 6861.38 6982.71 199.31 o
8 1 1 826.92 780.50 74.72 o
-8 2 1 3276.18 3321.60 141.68 o
-7 2 1 108.40 105.72 24.90 o
-6 2 1 4333.72 4259.82 89.05 o
-5 2 1 11786.84 10919.60 193.47 o
-4 2 1 239.85 248.63 13.20 o
-3 2 1 9797.33 8635.72 148.79 o
-2 2 1 7417.89 6863.25 119.83 o
-1 2 1 5320.84 5171.87 68.73 o
0 2 1 16184.62 16248.99 487.21 o
1 2 1 3211.32 3010.67 63.96 o
2 2 1 7707.68 6922.41 139.57 o
3 2 1 15087.11 13496.15 226.23 o
4 2 1 1385.02 1376.46 31.74 o
5 2 1 4771.46 4736.10 153.63 o
6 2 1 2997.16 3019.35 67.31 o
7 2 1 311.30 340.91 32.37 o
8 2 1 5216.65 5381.16 211.46 o
-8 3 1 36.73 30.34 27.49 o
-7 3 1 5272.90 5071.67 154.73 o
-6 3 1 4635.15 4484.07 94.14 o
-5 3 1 298.92 300.24 16.16 o
-4 3 1 7160.86 6547.88 120.29 o
-3 3 1 590.22 535.58 15.62 o
-2 3 1 16323.11 14918.33 219.28 o
-1 3 1 50840.59 46185.31 836.53 o
0 3 1 740.45 834.36 21.90 o
1 3 1 710.07 626.91 22.58 o
2 3 1 2639.06 2366.16 53.26 o
3 3 1 1257.03 1097.91 33.69 o
4 3 1 20110.73 18713.31 305.91 o
5 3 1 3581.12 3374.21 68.68 o
6 3 1 850.66 807.19 27.85 o
7 3 1 4216.34 4497.17 141.39 o
8 3 1 83.53 -4.16 32.62 o
-8 4 1 5088.78 5196.47 287.38 o
-7 4 1 881.21 828.88 39.83 o
-6 4 1 2236.37 2192.19 51.94 o
-5 4 1 4245.49 4103.07 81.65 o
-4 4 1 27.30 35.03 8.73 o
-3 4 1 18734.26 17319.19 260.07 o
-2 4 1 16815.23 15648.23 261.86 o
-1 4 1 2755.58 2692.13 66.76 o
0 4 1 2048.11 2026.28 58.36 o
1 4 1 1426.56 1361.65 29.49 o
2 4 1 15670.45 14791.34 243.11 o
3 4 1 17827.16 16092.10 271.64 o
4 4 1 5928.06 5921.09 110.03 o
5 4 1 4699.16 4769.80 92.28 o
6 4 1 370.26 397.36 26.88 o
7 4 1 665.81 731.55 46.60 o
8 4 1 6278.10 6440.10 247.16 o
-8 5 1 65.58 107.77 32.23 o
-7 5 1 7559.31 7389.54 181.47 o
-6 5 1 2412.61 2411.22 58.85 o
-5 5 1 73.51 93.64 12.58 o
-4 5 1 5397.93 5204.32 87.94 o
-3 5 1 476.53 451.45 13.18 o
-2 5 1 13866.95 13137.87 198.35 o
-1 5 1 28925.14 27444.65 459.82 o
0 5 1 1495.35 1543.39 34.81 o
1 5 1 1555.62 1420.37 44.59 o
2 5 1 4257.97 4121.75 73.61 o
3 5 1 2073.58 1912.94 38.15 o
4 5 1 18838.21 18234.46 307.74 o
5 5 1 3555.13 3519.64 72.30 o
6 5 1 1558.72 1638.76 51.39 o
7 5 1 2357.09 2492.96 99.12 o
8 5 1 39.01 24.38 49.03 o
-8 6 1 3449.93 3407.97 150.86 o
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2 6 1 4533.46 4288.79 71.01 o
3 6 1 17443.18 17134.52 289.01 o
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7 6 1 328.61 310.15 39.68 o
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0 7 1 239.66 282.17 11.47 o
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3 7 1 140.42 127.14 8.62 o
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5 7 1 1007.95 1077.66 54.42 o
6 7 1 2581.06 2674.80 74.93 o
7 7 1 5271.79 5398.76 163.64 o
-7 8 1 39.94 28.27 20.20 o
-6 8 1 5704.54 5717.03 122.35 o
-5 8 1 10799.43 10705.16 182.16 o
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-2 8 1 851.71 854.91 25.24 o
-1 8 1 3480.44 3389.61 58.02 o
0 8 1 17795.59 17381.73 260.89 o
1 8 1 4176.16 4061.18 92.64 o
2 8 1 2609.97 2665.95 64.43 o
3 8 1 4434.20 4540.52 76.14 o
4 8 1 176.54 187.22 11.60 o
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6 8 1 4339.00 4489.61 186.58 o
7 8 1 35.47 80.21 36.77 o
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-6 9 1 1989.46 1943.25 72.68 o
-5 9 1 2094.19 2080.25 56.06 o
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-3 9 1 2416.48 2276.26 44.40 o
-2 9 1 4412.07 4299.56 71.32 o
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0 9 1 8.69 4.85 6.97 o
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2 9 1 4540.89 4538.07 148.15 o
3 9 1 155.53 149.42 12.55 o
4 9 1 3947.27 4196.20 75.58 o
5 9 1 1527.53 1543.81 47.18 o
6 9 1 2797.88 2869.97 80.64 o
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-7 10 1 138.90 158.68 31.40 o
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-3 10 1 2646.62 2712.53 61.36 o
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3 10 1 7602.17 8210.36 246.37 o
4 10 1 217.76 218.15 22.80 o
5 10 1 3085.26 3350.32 89.80 o
6 10 1 1746.85 1768.06 147.06 o
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-6 11 1 1982.07 2087.41 137.14 o
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-4 11 1 3173.38 3380.21 91.06 o
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-1 11 1 13060.19 13790.27 317.34 o
0 11 1 303.23 276.27 16.92 o
1 11 1 1948.50 1947.05 54.19 o
2 11 1 2809.83 2891.90 97.97 o
3 11 1 1186.23 1175.51 57.11 o
4 11 1 8399.51 9036.67 405.73 o
5 11 1 1574.13 1696.81 75.36 o
6 11 1 650.39 667.41 67.87 o
-6 12 1 1325.09 1218.74 161.76 o
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3 12 1 7140.14 7497.38 328.89 o
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-4 15 1 2635.02 2676.85 181.90 o
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0 15 1 14.06 54.42 29.30 o
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-4 2 2 296.49 311.03 14.20 o
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0 2 2 18784.53 17227.08 1051.86 o
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3 2 2 14310.06 13686.74 233.18 o
4 2 2 835.01 742.39 23.89 o
5 2 2 4921.03 4966.12 97.70 o
6 2 2 3960.78 3967.13 86.14 o
7 2 2 22.00 44.61 24.18 o
8 2 2 2685.28 2757.77 197.53 o
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