#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/68/2016851.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_2016851_Fobs
loop_
_publ_author_name
'Liu, Chun-Sen'
'Zhou, Li-Ming'
'Guo, Liang-Qi'
'Ma, Song-Tao'
'Fang, Shao-Ming'
_publ_section_title
;
 <i>catena</i>-Poly[[dichloridomercury(II)]-\m-1-(2-pyridylmethyl)-1<i>H</i>-benzotriazole]:
 the effect of different metal centers on the self-assembly of
 coordination complexes
;
_journal_coeditor_code           BG3087
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m394
_journal_page_last               m397
_journal_volume                  64
_journal_year                    2008
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                102.878
_cell_angle_beta                 98.223
_cell_angle_gamma                109.702
_cell_length_a                   7.8769
_cell_length_b                   8.8723
_cell_length_c                   11.1304
_exptl_crystal_F_000             448.00
_reflns_d_resolution_high        0.8408
_[local]_cod_data_source_file    bg3087Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' 1 in P-1'
_shelx_refln_list_code           4
_shelx_F_calc_maximum            207.47
_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
2 0 0 236.74 202.09 29.28 o
3 0 0 3537.08 3257.01 67.99 o
4 0 0 10714.14 11207.90 308.83 o
5 0 0 3973.73 3730.46 145.20 o
6 0 0 16.04 2.44 2.98 o
7 0 0 14.72 32.65 12.87 o
8 0 0 9.58 26.97 27.16 o
-8 1 0 160.07 73.51 40.37 o
-7 1 0 1214.23 1189.06 264.32 o
-6 1 0 1.77 22.73 7.78 o
-5 1 0 559.10 545.01 26.43 o
-4 1 0 1794.89 1484.32 87.67 o
-3 1 0 2836.01 2478.30 82.34 o
-2 1 0 6122.92 5666.48 113.68 o
-1 1 0 16717.45 16718.64 257.96 o
0 1 0 10345.15 10729.26 214.62 o
1 1 0 29747.55 28470.55 2777.58 o
2 1 0 13959.40 13723.05 159.18 o
3 1 0 5425.22 4948.25 140.38 o
4 1 0 7339.32 7263.48 357.38 o
5 1 0 3880.76 3696.10 133.11 o
6 1 0 1482.86 1706.65 101.83 o
7 1 0 431.48 287.12 96.96 o
8 1 0 81.14 103.07 37.18 o
-9 2 0 298.09 234.73 120.83 o
-8 2 0 762.19 417.14 206.12 o
-7 2 0 1181.58 880.40 210.84 o
-6 2 0 1297.46 1430.89 92.19 o
-5 2 0 129.92 93.16 34.40 o
-4 2 0 215.67 159.11 67.68 o
-3 2 0 401.30 392.60 23.22 o
-2 2 0 563.23 530.92 21.97 o
-1 2 0 6556.24 6706.70 78.83 o
0 2 0 6988.54 6911.88 170.33 o
1 2 0 6871.25 6681.92 163.69 o
2 2 0 7488.16 6714.19 200.24 o
3 2 0 13452.53 15642.97 805.16 o
4 2 0 5088.01 5605.29 216.12 o
5 2 0 2563.13 2650.00 137.14 o
6 2 0 1561.36 2276.12 315.34 o
7 2 0 769.34 887.37 173.42 o
-9 3 0 427.14 197.18 53.78 o
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-6 3 0 2180.56 2431.59 156.23 o
-5 3 0 2132.19 2638.08 227.19 o
-4 3 0 5636.89 6254.88 205.56 o
-3 3 0 864.69 753.28 21.24 o
-2 3 0 497.58 504.82 12.64 o
-1 3 0 122.97 122.31 12.11 o
0 3 0 135.53 151.16 14.01 o
1 3 0 3370.60 3254.70 86.01 o
2 3 0 7103.36 7675.79 157.27 o
3 3 0 2538.30 2672.13 93.01 o
4 3 0 1584.88 1613.30 138.43 o
5 3 0 1622.32 1898.99 58.20 o
6 3 0 1926.96 2430.06 278.37 o
7 3 0 781.53 1033.49 183.15 o
-9 4 0 528.07 375.37 91.76 o
-8 4 0 885.98 657.69 186.92 o
-7 4 0 1565.34 1899.51 145.25 o
-6 4 0 4846.91 5427.91 318.62 o
-5 4 0 7609.88 7454.49 334.56 o
-4 4 0 5189.22 5244.99 243.43 o
-3 4 0 3440.63 3335.16 88.45 o
-2 4 0 2352.98 2108.16 69.45 o
-1 4 0 5188.21 5122.06 143.28 o
0 4 0 876.38 763.45 63.52 o
1 4 0 142.74 113.08 10.42 o
2 4 0 497.88 527.68 23.61 o
3 4 0 29.47 31.46 18.36 o
4 4 0 219.63 221.54 95.54 o
5 4 0 1498.83 1500.35 80.06 o
6 4 0 1076.61 1337.80 267.07 o
-9 5 0 291.76 266.49 120.59 o
-8 5 0 713.26 835.72 173.51 o
-7 5 0 2039.11 2111.89 179.44 o
-6 5 0 3493.34 3455.99 175.24 o
-5 5 0 5038.79 4651.71 163.22 o
-4 5 0 3681.42 3513.76 93.46 o
-3 5 0 6194.60 6342.92 140.45 o
-2 5 0 13928.19 13924.70 246.67 o
-1 5 0 8055.25 7011.87 357.20 o
0 5 0 2088.27 1957.54 86.13 o
1 5 0 618.79 557.42 31.65 o
2 5 0 669.80 631.13 44.02 o
3 5 0 263.52 162.41 59.46 o
4 5 0 23.21 21.72 51.19 o
5 5 0 218.42 135.89 29.32 o
-9 6 0 1.86 28.81 21.41 o
-8 6 0 39.00 73.12 28.25 o
-7 6 0 616.18 550.00 117.87 o
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-5 6 0 4320.98 4608.47 204.61 o
-4 6 0 2561.29 2791.21 51.67 o
-3 6 0 3937.32 3920.39 361.82 o
-2 6 0 8975.33 8573.07 518.31 o
-1 6 0 12386.90 11407.54 349.33 o
0 6 0 5249.46 5377.96 301.50 o
1 6 0 631.49 652.12 47.07 o
2 6 0 1562.55 1519.75 81.62 o
3 6 0 1231.54 1275.21 132.55 o
4 6 0 277.12 240.67 70.05 o
-8 7 0 196.20 150.22 40.42 o
-7 7 0 2.07 45.74 21.73 o
-6 7 0 1403.11 1258.48 69.70 o
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-2 7 0 4698.24 4760.22 342.43 o
-1 7 0 4600.18 4500.15 219.41 o
0 7 0 3296.16 3634.14 315.50 o
1 7 0 3758.58 3607.68 226.96 o
2 7 0 1614.42 1836.55 347.09 o
3 7 0 958.31 874.66 227.44 o
-8 8 0 285.10 210.42 67.88 o
-7 8 0 95.36 101.05 35.81 o
-6 8 0 6.05 68.73 31.42 o
-5 8 0 250.68 244.55 45.18 o
-4 8 0 139.83 110.58 29.13 o
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-2 8 0 1167.46 1236.32 129.90 o
-1 8 0 2301.78 2306.55 215.53 o
0 8 0 2781.69 3066.09 195.13 o
1 8 0 1975.82 2073.61 309.38 o
2 8 0 1134.03 1158.67 180.70 o
-7 9 0 654.11 757.99 110.25 o
-6 9 0 317.06 328.31 59.57 o
-5 9 0 109.86 99.52 25.23 o
-4 9 0 150.79 209.68 41.62 o
-3 9 0 7.63 42.10 13.99 o
-2 9 0 83.29 58.77 33.78 o
-1 9 0 525.66 562.78 81.83 o
0 9 0 759.39 785.56 138.95 o
1 9 0 554.48 449.15 81.23 o
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-4 10 0 159.17 127.86 43.00 o
-3 10 0 336.50 299.16 65.07 o
-2 10 0 233.60 196.30 44.13 o
1 -10 1 1366.39 1480.61 203.43 o
2 -10 1 1292.79 1097.74 138.59 o
3 -10 1 834.97 863.37 107.36 o
4 -10 1 847.83 730.76 132.30 o
5 -10 1 431.64 518.05 72.52 o
-1 -9 1 947.89 732.42 134.93 o
0 -9 1 1966.24 1974.63 241.64 o
1 -9 1 2033.07 1899.18 193.28 o
2 -9 1 2742.67 2857.05 294.75 o
3 -9 1 2572.16 2495.88 218.97 o
4 -9 1 1854.19 1824.04 165.05 o
5 -9 1 1585.07 1573.09 320.25 o
6 -9 1 1045.14 995.87 148.69 o
7 -9 1 312.79 367.80 90.02 o
-2 -8 1 95.34 96.48 39.40 o
-1 -8 1 166.22 104.75 35.07 o
0 -8 1 1585.59 1499.01 99.90 o
1 -8 1 5586.31 4988.55 365.57 o
2 -8 1 3600.66 3337.99 273.74 o
3 -8 1 1900.68 1967.45 120.31 o
4 -8 1 2060.15 2279.81 261.07 o
5 -8 1 4703.90 5123.82 511.42 o
6 -8 1 2459.75 2498.15 284.54 o
7 -8 1 599.09 576.26 98.93 o
8 -8 1 261.64 210.97 55.49 o
-4 -7 1 81.03 103.82 49.18 o
-3 -7 1 29.55 64.42 38.10 o
-2 -7 1 155.79 120.74 31.93 o
-1 -7 1 2.31 22.38 14.43 o
0 -7 1 965.69 940.76 52.10 o
1 -7 1 2467.11 2721.57 332.19 o
2 -7 1 1990.24 2146.07 174.28 o
3 -7 1 1238.58 1154.06 84.31 o
4 -7 1 3127.36 3380.52 276.12 o
5 -7 1 5016.81 5357.91 292.31 o
6 -7 1 3721.07 3914.21 349.91 o
7 -7 1 1533.49 1522.10 170.15 o
8 -7 1 628.59 561.76 93.25 o
-5 -6 1 776.47 676.62 96.37 o
-4 -6 1 492.46 448.25 93.01 o
-3 -6 1 608.91 710.66 50.57 o
-2 -6 1 2030.94 1997.51 130.32 o
-1 -6 1 913.09 968.81 74.97 o
0 -6 1 66.93 78.46 15.20 o
1 -6 1 286.05 357.26 106.47 o
2 -6 1 287.47 292.40 54.95 o
3 -6 1 540.27 568.53 56.63 o
4 -6 1 3351.88 3483.93 148.80 o
5 -6 1 3171.18 3400.56 121.93 o
6 -6 1 2472.86 2758.27 202.57 o
7 -6 1 1154.63 1159.39 173.21 o
8 -6 1 1261.49 1239.45 181.86 o
-5 -5 1 878.67 952.47 185.47 o
-4 -5 1 1409.08 1824.13 185.54 o
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0 -5 1 1094.10 1072.93 61.35 o
1 -5 1 2366.57 2567.53 116.81 o
2 -5 1 1130.01 1280.26 77.85 o
3 -5 1 250.14 248.68 36.50 o
4 -5 1 543.29 607.16 66.17 o
5 -5 1 567.76 581.73 66.61 o
6 -5 1 621.36 720.18 77.15 o
7 -5 1 1230.84 1171.02 327.62 o
8 -5 1 818.85 961.86 168.57 o
9 -5 1 543.34 643.64 252.20 o
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-5 -4 1 1689.99 2085.72 89.16 o
-4 -4 1 3619.97 4310.37 257.51 o
-3 -4 1 4248.02 4401.38 56.69 o
-2 -4 1 6721.86 6566.27 139.66 o
-1 -4 1 9467.05 8161.11 431.50 o
0 -4 1 10290.35 10001.33 328.74 o
1 -4 1 5095.19 4529.54 76.51 o
2 -4 1 2287.86 2248.23 68.30 o
3 -4 1 2999.01 2987.74 86.19 o
4 -4 1 3216.31 3244.92 233.60 o
5 -4 1 103.97 50.47 22.78 o
6 -4 1 422.27 352.89 84.78 o
7 -4 1 1007.72 668.91 97.65 o
8 -4 1 216.77 146.53 87.58 o
9 -4 1 29.84 38.57 39.97 o
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-5 -3 1 1491.50 1899.83 223.18 o
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1 -3 1 14948.87 15406.07 256.79 o
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7 -3 1 60.93 71.80 26.15 o
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9 -3 1 1.81 72.53 33.71 o
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3 -2 1 12431.77 12742.88 415.86 o
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6 -2 1 465.21 376.77 82.75 o
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8 -2 1 335.46 169.42 60.08 o
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0 -1 1 9302.73 9478.80 170.25 o
1 -1 1 18212.17 18203.51 388.11 o
2 -1 1 5516.35 4693.16 146.00 o
3 -1 1 12399.22 11648.33 214.59 o
4 -1 1 13838.22 13742.53 182.89 o
5 -1 1 4765.50 4861.06 146.89 o
6 -1 1 3299.45 3354.40 280.86 o
7 -1 1 878.06 535.01 415.20 o
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-8 0 1 747.06 178.09 108.77 o
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1 0 1 6682.28 5975.53 123.69 o
2 0 1 17366.08 16970.60 315.20 o
3 0 1 5711.61 5190.18 135.90 o
4 0 1 2770.12 2502.54 60.88 o
5 0 1 4730.06 4559.35 332.12 o
6 0 1 3128.05 3424.19 218.34 o
7 0 1 1600.78 1991.77 87.64 o
8 0 1 487.67 140.62 61.78 o
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0 1 1 411.91 399.17 13.73 o
1 1 1 1331.73 1292.50 13.71 o
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3 1 1 1770.90 1630.78 43.66 o
4 1 1 1712.96 1667.98 72.38 o
5 1 1 1563.86 1804.47 88.90 o
6 1 1 2048.51 2409.51 98.83 o
7 1 1 1094.89 1484.91 247.61 o
-9 2 1 222.63 145.10 32.08 o
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-7 2 1 2056.71 2810.09 731.71 o
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-4 2 1 7177.88 7456.90 134.68 o
-3 2 1 11482.82 11820.77 555.30 o
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0 2 1 3679.05 3441.35 83.28 o
1 2 1 234.41 220.60 13.29 o
2 2 1 2884.06 3032.27 73.86 o
3 2 1 708.95 780.45 51.89 o
4 2 1 138.14 127.12 26.51 o
5 2 1 1910.43 1959.97 110.66 o
6 2 1 594.14 605.46 165.10 o
7 2 1 105.88 163.34 38.84 o
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-1 3 1 17449.33 19374.41 562.61 o
0 3 1 9215.32 9614.08 193.60 o
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2 3 1 3387.66 3025.52 89.35 o
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5 3 1 0.38 36.89 18.16 o
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-3 5 1 1373.59 1284.17 62.21 o
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0 8 1 4.87 30.95 16.54 o
1 8 1 5.51 57.62 27.21 o
2 8 1 8.04 37.72 17.52 o
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-2 9 1 2327.38 2347.27 310.09 o
-1 9 1 394.18 348.71 59.06 o
0 9 1 248.79 160.46 43.12 o
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3 -10 2 734.16 633.15 83.80 o
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5 -10 2 2352.36 1926.27 481.78 o
-1 -9 2 233.87 166.38 46.44 o
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4 -9 2 1818.19 1748.53 309.31 o
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