#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2206801.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_2206801_Fobs
loop_
_publ_author_name
'Zhang, Lei'
'Zhao, Xin-Hua'
'Zhao, Yuan'
_publ_section_title
;
 \m-2,3,5,6-Tetra-2-pyridylpyrazine-bis[dichloromercury(II)]
;
_journal_coeditor_code           TK6246
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1760
_journal_page_last               m1761
_journal_volume                  61
_journal_year                    2005
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                111.030
_cell_angle_beta                 97.764
_cell_angle_gamma                106.370
_cell_length_a                   7.2045
_cell_length_b                   9.1939
_cell_length_c                   11.2326
_exptl_crystal_F_000             430.00
_reflns_d_resolution_high        0.8108
_[local]_cod_data_source_file    tk6246Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' rong28 in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            189.87
_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 21290.35 19946.96 842.50 o
2 0 0 2813.30 2913.65 96.13 o
3 0 0 11117.33 11034.21 346.25 o
4 0 0 17267.42 18329.76 1086.69 o
5 0 0 7336.46 7805.93 260.00 o
6 0 0 1265.49 1276.20 61.43 o
7 0 0 2984.59 2568.00 150.24 o
-7 1 0 6.74 28.02 12.74 o
-6 1 0 57.52 64.83 19.54 o
-5 1 0 4318.63 4410.44 197.48 o
-4 1 0 5945.10 6184.27 202.42 o
-3 1 0 3410.48 3493.86 116.54 o
-2 1 0 5751.99 6019.30 279.89 o
-1 1 0 12168.45 11816.72 502.23 o
0 1 0 6276.94 6814.60 219.39 o
1 1 0 5137.44 5195.68 223.06 o
3 1 0 18925.97 18785.69 911.41 o
4 1 0 13545.44 14149.25 454.11 o
5 1 0 5096.79 5305.95 183.16 o
6 1 0 2785.05 2807.40 159.48 o
7 1 0 4055.07 4202.93 228.39 o
-8 2 0 934.36 1062.72 91.99 o
-7 2 0 2646.36 2931.36 170.49 o
-6 2 0 264.53 285.52 24.98 o
-5 2 0 339.70 359.70 24.98 o
-4 2 0 1182.11 1260.76 51.07 o
-3 2 0 3014.07 3193.75 106.20 o
-1 2 0 7424.13 7548.71 233.84 o
0 2 0 1223.02 1327.20 37.95 o
1 2 0 495.09 482.36 26.37 o
2 2 0 5116.78 5071.13 139.82 o
3 2 0 4586.21 4139.33 143.85 o
5 2 0 1085.92 1052.06 77.79 o
6 2 0 1907.71 1867.57 121.47 o
7 2 0 3680.72 3784.52 215.60 o
-8 3 0 3252.84 3687.20 212.76 o
-7 3 0 3634.67 3874.74 212.40 o
-6 3 0 3449.93 3578.51 192.16 o
-5 3 0 4440.48 3776.71 192.16 o
-4 3 0 9369.55 9701.19 306.91 o
-3 3 0 4785.22 4563.28 147.85 o
-2 3 0 4580.45 4698.06 213.11 o
-1 3 0 1192.45 1203.89 36.39 o
0 3 0 6276.34 6777.86 177.02 o
1 3 0 5548.96 5762.03 203.70 o
2 3 0 597.43 575.28 36.32 o
3 3 0 34.72 49.21 15.80 o
4 3 0 11.70 7.81 14.21 o
5 3 0 289.26 256.09 39.78 o
6 3 0 315.91 294.09 46.88 o
-8 4 0 2395.75 2406.75 155.57 o
-7 4 0 5651.14 5707.15 292.32 o
-6 4 0 8641.16 8993.69 421.96 o
-5 4 0 9428.35 8755.72 403.49 o
-4 4 0 6819.73 6710.91 310.79 o
-3 4 0 14500.57 14776.50 642.53 o
-2 4 0 17531.82 17884.65 550.45 o
-1 4 0 15196.04 15675.65 402.83 o
0 4 0 12560.45 12409.65 407.14 o
1 4 0 6194.27 6287.84 245.43 o
2 4 0 6735.90 6908.68 298.00 o
3 4 0 5503.28 5850.54 408.11 o
4 4 0 3252.67 3190.29 181.15 o
5 4 0 1498.63 1511.32 107.98 o
6 4 0 663.97 669.88 69.97 o
-8 5 0 728.72 732.75 76.72 o
-7 5 0 1465.78 1490.01 109.75 o
-6 5 0 4113.57 4155.33 219.15 o
-5 5 0 4090.50 4099.92 208.85 o
-4 5 0 4977.94 4873.17 235.49 o
-3 5 0 9420.35 9719.70 432.97 o
-2 5 0 11993.29 12293.66 319.97 o
-1 5 0 9941.76 10478.46 349.54 o
0 5 0 5947.62 5998.11 209.17 o
1 5 0 9857.04 9557.75 369.93 o
2 5 0 7698.51 7547.07 270.37 o
3 5 0 5577.52 5527.20 252.18 o
4 5 0 3903.17 3903.43 167.12 o
5 5 0 2954.62 2883.05 177.95 o
-8 6 0 14.80 23.44 25.22 o
-7 6 0 185.80 201.04 44.40 o
-6 6 0 156.15 164.10 39.07 o
-5 6 0 43.96 64.29 26.28 o
-4 6 0 142.19 157.70 30.19 o
-3 6 0 2552.12 2498.26 152.91 o
-2 6 0 1441.51 1441.04 163.03 o
-1 6 0 1581.26 1519.89 66.28 o
0 6 0 3508.17 3340.34 131.06 o
1 6 0 6796.42 6504.78 293.21 o
2 6 0 5897.29 5630.78 322.51 o
3 6 0 1290.85 1357.64 79.45 o
4 6 0 3117.29 3192.14 232.29 o
-8 7 0 850.16 822.26 85.24 o
-7 7 0 515.72 523.19 65.35 o
-6 7 0 3596.47 3404.47 192.16 o
-5 7 0 3894.43 4183.75 218.80 o
-4 7 0 56.56 65.24 20.07 o
-3 7 0 728.82 761.91 44.13 o
-2 7 0 864.04 875.89 73.52 o
-1 7 0 1741.44 1637.06 115.08 o
0 7 0 47.89 30.42 15.10 o
1 7 0 551.92 526.29 45.11 o
2 7 0 11.55 17.59 17.94 o
3 7 0 72.43 109.41 27.80 o
4 7 0 526.51 674.26 59.79 o
-7 8 0 2713.80 2893.00 178.30 o
-6 8 0 5249.04 5489.79 205.41 o
-5 8 0 5059.29 5018.30 187.71 o
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-1 8 0 3454.31 3164.36 195.35 o
0 8 0 667.66 662.78 77.43 o
1 8 0 677.43 627.75 58.96 o
2 8 0 1827.03 1649.89 92.59 o
3 8 0 639.80 735.27 62.43 o
-7 9 0 4284.17 4544.47 182.19 o
-6 9 0 5340.40 5696.72 215.03 o
-5 9 0 2402.74 2594.11 114.20 o
-4 9 0 1959.33 2029.89 140.65 o
-3 9 0 4683.45 4732.51 269.23 o
-2 9 0 6173.54 5698.27 316.83 o
-1 9 0 2884.78 2605.30 179.01 o
0 9 0 2651.06 2225.96 168.00 o
1 9 0 3515.97 2876.66 208.14 o
-5 10 0 725.13 754.06 80.63 o
-4 10 0 1449.43 1464.79 120.05 o
-3 10 0 3500.49 3459.17 219.15 o
-2 10 0 3734.35 3718.10 236.20 o
-1 10 0 2192.08 2060.44 161.97 o
0 -10 1 1206.58 1092.20 115.44 o
1 -10 1 392.22 393.90 68.55 o
2 -10 1 1705.63 1618.59 131.77 o
3 -10 1 5087.26 4729.32 277.05 o
4 -10 1 2723.69 2742.04 181.50 o
5 -10 1 1726.80 1860.11 137.46 o
6 -10 1 3209.38 3405.95 145.89 o
-2 -9 1 20.37 13.31 19.42 o
-1 -9 1 50.12 50.41 21.49 o
0 -9 1 50.87 61.80 35.16 o
1 -9 1 35.92 37.65 27.70 o
2 -9 1 2015.00 1895.28 137.10 o
3 -9 1 2271.55 2331.45 154.86 o
4 -9 1 328.44 399.59 54.34 o
5 -9 1 394.68 433.51 40.05 o
6 -9 1 2107.08 2145.37 101.59 o
7 -9 1 2306.86 2564.81 166.94 o
-3 -8 1 1019.97 1068.96 75.44 o
-2 -8 1 1690.04 1623.31 187.89 o
-1 -8 1 1700.57 1584.21 109.75 o
0 -8 1 1656.95 1758.35 124.49 o
1 -8 1 2369.24 2205.71 148.82 o
2 -8 1 1413.72 1337.63 101.58 o
3 -8 1 1954.58 1942.87 128.93 o
4 -8 1 53.24 130.77 61.80 o
5 -8 1 77.50 90.62 20.82 o
6 -8 1 1.17 13.57 14.81 o
7 -8 1 77.70 91.99 36.58 o
-4 -7 1 2695.12 2828.48 141.23 o
-3 -7 1 4602.15 4328.30 583.57 o
-2 -7 1 7278.52 6720.08 267.63 o
-1 -7 1 8241.22 7699.17 527.10 o
0 -7 1 6390.65 6182.74 333.17 o
1 -7 1 4883.84 4519.39 167.30 o
2 -7 1 5474.15 5744.59 255.38 o
3 -7 1 5280.29 5634.78 222.17 o
4 -7 1 5566.94 5760.18 203.19 o
5 -7 1 2728.07 2802.98 114.00 o
6 -7 1 2023.36 2007.16 130.71 o
7 -7 1 1108.67 1183.13 98.74 o
8 -7 1 855.99 829.72 84.18 o
-5 -6 1 658.47 710.73 77.08 o
-4 -6 1 1290.74 1278.67 134.97 o
-3 -6 1 6073.19 6283.19 480.92 o
-2 -6 1 3681.18 3607.16 148.73 o
-1 -6 1 2548.93 2191.23 98.11 o
0 -6 1 8099.81 7525.25 263.20 o
2 -6 1 10226.58 10531.65 299.46 o
3 -6 1 6065.24 6328.98 215.12 o
4 -6 1 7825.27 8175.09 275.28 o
5 -6 1 8938.14 8807.58 412.02 o
6 -6 1 4279.07 4299.90 228.39 o
7 -6 1 4133.59 4373.77 238.33 o
8 -6 1 2666.36 2712.21 173.33 o
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-5 -5 1 90.48 138.52 35.87 o
-4 -5 1 713.03 631.88 63.22 o
-3 -5 1 1134.48 1194.86 79.92 o
-2 -5 1 198.74 315.40 52.57 o
-1 -5 1 203.37 199.33 28.24 o
0 -5 1 6335.58 6558.81 178.24 o
1 -5 1 7426.53 7807.59 207.80 o
2 -5 1 5210.94 5520.10 149.99 o
3 -5 1 2530.99 2643.70 99.04 o
4 -5 1 8166.80 8103.95 373.66 o
5 -5 1 9776.61 10463.81 479.50 o
6 -5 1 4769.81 4828.06 248.28 o
7 -5 1 3022.29 2970.07 176.17 o
8 -5 1 3028.70 3294.72 198.19 o
-6 -4 1 3020.41 3327.39 198.19 o
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-3 -4 1 508.29 435.72 76.19 o
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0 -4 1 16.98 37.53 7.00 o
1 -4 1 10.11 36.56 6.11 o
2 -4 1 794.63 860.72 29.76 o
3 -4 1 27.39 57.11 8.16 o
4 -4 1 1618.65 1641.67 98.39 o
5 -4 1 737.52 751.58 63.22 o
6 -4 1 191.18 174.04 37.29 o
7 -4 1 802.30 912.48 80.63 o
8 -4 1 1591.31 1763.50 127.51 o
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-6 -3 1 5206.83 5412.34 286.28 o
-5 -3 1 3184.11 3608.70 199.62 o
-4 -3 1 2798.12 2678.47 151.31 o
-3 -3 1 17652.36 18777.22 817.82 o
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3 -3 1 530.67 494.70 23.69 o
4 -3 1 49.08 94.21 16.34 o
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6 -3 1 1651.61 1758.18 113.66 o
7 -3 1 35.32 111.17 33.39 o
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0 -2 1 17762.88 18227.12 465.45 o
1 -2 1 30692.69 29817.36 755.89 o
2 -2 1 24338.95 23309.86 714.42 o
3 -2 1 8422.29 8803.31 396.39 o
4 -2 1 7136.50 7586.37 245.63 o
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1 -1 1 17710.44 17199.04 635.25 o
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3 -1 1 9080.70 9210.00 407.04 o
5 -1 1 10903.44 10785.02 659.23 o
6 -1 1 7881.93 7971.89 288.77 o
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0 0 1 487.09 561.20 28.41 o
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2 0 1 1574.06 1663.70 85.24 o
3 0 1 1769.65 1800.51 68.02 o
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5 0 1 4215.84 3918.77 141.65 o
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0 1 1 3131.77 3497.53 159.48 o
1 1 1 743.95 765.83 26.82 o
2 1 1 367.06 376.98 19.03 o
3 1 1 642.37 696.66 34.53 o
4 1 1 251.89 283.73 23.59 o
5 1 1 58.61 62.16 20.25 o
6 1 1 53.31 45.82 21.67 o
7 1 1 315.47 306.88 45.82 o
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0 2 1 21156.87 20819.82 648.02 o
1 2 1 7350.57 7668.93 255.15 o
2 2 1 7213.21 6989.39 382.36 o
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4 2 1 4074.60 3960.34 205.30 o
5 2 1 1380.08 1383.10 94.83 o
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7 2 1 679.81 683.74 69.26 o
-8 3 1 1180.78 1285.07 103.71 o
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0 3 1 10727.74 11341.60 293.01 o
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5 3 1 3106.50 3140.21 180.08 o
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0 -9 2 4047.88 3308.57 217.37 o
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2 -9 2 5599.34 5376.82 300.84 o
3 -9 2 3561.75 3319.22 200.68 o
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