#------------------------------------------------------------------------------
#$Date: 2013-02-22 12:27:16 +0200 (Fri, 22 Feb 2013) $
#$Revision: 74188 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/69/2236918.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_2236918_Fobs
loop_
_publ_author_name
'Shirvan, Sadif A.'
'Hossaini Sadr, Moayad'
_publ_section_title
;
 <i>catena</i>-Poly[di-\m~3~-bromido-hexa-\m~2~-bromido-dibromidobis(<i>O</i>-methyl
 pyridine-2-carboximidate-\k^2^<i>N</i>,<i>N</i>')pentamercury(II)]
;
_journal_coeditor_code           HY2602
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1492
_journal_volume                  68
_journal_year                    2012
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.067
_cell_angle_beta                 102.850
_cell_angle_gamma                101.879
_cell_length_a                   7.6768
_cell_length_b                   10.7223
_cell_length_c                   11.0663
_exptl_crystal_F_000             616.00
_reflns_d_resolution_high        0.8107
_[local]_cod_data_source_file    hy2602Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' KH767 GHORBANI/FLAVARIAN AZA UNI/03-08-91'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            501.64
_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 2907.01 3249.13 296.56 o
2 0 0 6168.03 6617.02 233.34 o
3 0 0 7.47 80.10 179.75 o
4 0 0 3459.13 3855.12 194.45 o
5 0 0 1703.49 1820.02 194.91 o
6 0 0 1851.66 1743.24 174.86 o
7 0 0 698.57 599.86 164.92 o
8 0 0 14.78 44.70 177.46 o
9 0 0 40.01 0.00 199.62 o
-9 1 0 1434.28 1267.29 192.10 o
-8 1 0 45.60 236.40 161.34 o
-7 1 0 5870.68 4876.19 475.45 o
-6 1 0 2700.47 2825.98 191.15 o
-5 1 0 892.22 1188.41 188.76 o
-4 1 0 2767.30 2690.80 229.45 o
-3 1 0 947.48 1096.41 175.80 o
-2 1 0 2.45 205.42 217.15 o
-1 1 0 713.47 1038.35 149.53 o
0 1 0 98915.91 88928.46 940.47 o
1 1 0 5198.58 5059.71 325.14 o
2 1 0 1379.74 1954.25 275.60 o
3 1 0 3182.01 3327.04 379.41 o
4 1 0 76569.34 76094.09 2828.10 o
5 1 0 5378.63 5069.03 251.49 o
6 1 0 13.55 94.62 168.91 o
7 1 0 80.81 134.71 194.97 o
8 1 0 49.99 14.15 233.32 o
-9 2 0 673.88 482.06 168.89 o
-8 2 0 49.54 77.47 143.26 o
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-5 2 0 2356.20 2407.64 213.83 o
-4 2 0 9472.74 10693.42 966.04 o
-3 2 0 21685.73 23714.03 940.02 o
-2 2 0 37137.50 37713.62 1550.77 o
-1 2 0 5750.97 5114.11 141.79 o
0 2 0 663.76 958.75 285.11 o
1 2 0 54.92 313.18 450.38 o
2 2 0 22404.02 19028.98 1379.99 o
3 2 0 10540.73 10399.91 378.47 o
4 2 0 74591.19 71521.20 5083.29 o
5 2 0 98.85 270.60 302.77 o
6 2 0 187.54 352.55 412.53 o
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8 2 0 499.22 782.10 243.58 o
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-4 3 0 814.46 800.61 125.17 o
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-2 3 0 10958.11 10414.58 142.08 o
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0 3 0 15080.85 14533.14 431.45 o
1 3 0 10913.01 8362.23 1105.12 o
2 3 0 598.36 223.30 387.93 o
3 3 0 27941.99 27116.53 1827.52 o
4 3 0 9561.82 9893.65 389.35 o
5 3 0 256.68 482.05 306.56 o
6 3 0 1479.56 2183.42 459.84 o
7 3 0 182.93 140.83 293.67 o
8 3 0 2257.31 2329.94 615.01 o
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-8 4 0 75.53 243.97 170.19 o
-7 4 0 1379.85 1701.87 156.00 o
-6 4 0 14229.58 14215.57 162.79 o
-5 4 0 1694.63 1733.82 148.73 o
-4 4 0 9436.04 9951.80 453.21 o
-3 4 0 20519.63 21584.02 1207.31 o
-2 4 0 63.06 146.07 103.24 o
-1 4 0 1070.05 1024.27 100.32 o
0 4 0 40036.11 36782.27 492.01 o
1 4 0 39336.63 33538.81 1024.70 o
2 4 0 19909.69 18182.50 390.77 o
3 4 0 342.57 193.96 282.90 o
4 4 0 7.74 114.57 345.42 o
5 4 0 2274.24 2415.27 570.07 o
6 4 0 830.06 896.49 265.40 o
7 4 0 2107.14 2387.54 399.28 o
-9 5 0 628.80 839.66 179.21 o
-8 5 0 307.34 286.13 155.78 o
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-6 5 0 4694.16 5044.35 167.72 o
-5 5 0 1274.88 1578.79 251.21 o
-4 5 0 8923.08 9373.42 660.43 o
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1 5 0 7586.71 6663.16 314.18 o
2 5 0 7738.85 6726.31 366.17 o
3 5 0 1545.72 2206.46 347.24 o
4 5 0 4710.42 3990.94 393.61 o
5 5 0 8857.70 7533.39 453.21 o
6 5 0 478.51 418.21 314.13 o
7 5 0 1579.28 1457.10 453.21 o
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0 6 0 20235.78 18302.67 365.22 o
1 6 0 4548.10 3752.93 263.44 o
2 6 0 593.04 597.03 291.42 o
3 6 0 6.54 446.59 338.73 o
4 6 0 508.19 412.53 354.81 o
5 6 0 2269.59 2328.52 293.31 o
6 6 0 840.85 782.48 406.85 o
7 6 0 75.49 0.00 435.24 o
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-7 7 0 159.09 86.02 167.18 o
-6 7 0 1179.28 1272.27 145.58 o
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-4 7 0 3420.67 3358.22 132.35 o
-3 7 0 797.31 876.62 107.39 o
-2 7 0 7283.26 7581.70 340.15 o
-1 7 0 225.28 257.78 139.85 o
0 7 0 17108.97 15386.58 323.59 o
1 7 0 2388.81 2260.71 188.10 o
2 7 0 13892.95 14824.25 3404.31 o
3 7 0 563.23 685.03 221.40 o
4 7 0 2433.11 2518.70 248.84 o
5 7 0 16.66 683.13 336.84 o
6 7 0 439.49 527.96 351.03 o
-8 8 0 45.30 25.68 122.21 o
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-6 8 0 553.49 661.68 116.90 o
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0 8 0 15791.03 14482.04 321.70 o
1 8 0 7.11 183.29 219.06 o
2 8 0 18429.63 18870.30 5597.06 o
3 8 0 95.75 166.81 194.66 o
4 8 0 2061.97 2591.55 227.08 o
5 8 0 51.61 224.24 233.70 o
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-6 9 0 208.86 262.90 145.52 o
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-3 9 0 511.69 842.47 116.85 o
-2 9 0 3133.02 3175.00 165.52 o
-1 9 0 551.75 186.40 261.14 o
0 9 0 755.45 1282.06 255.47 o
1 9 0 187.49 260.68 213.77 o
2 9 0 613.89 748.14 147.03 o
3 9 0 327.96 300.12 149.18 o
4 9 0 2630.12 3610.28 493.43 o
5 9 0 107.52 264.93 271.55 o
-7 10 0 1238.19 1069.15 130.79 o
-6 10 0 747.71 908.90 143.21 o
-5 10 0 916.33 1105.74 149.22 o
-4 10 0 7.06 40.45 144.99 o
-3 10 0 2850.84 3499.16 212.89 o
-2 10 0 1676.27 2206.06 280.54 o
-1 10 0 2932.18 2817.69 272.50 o
0 10 0 2887.43 2371.10 251.68 o
1 10 0 11.72 101.54 162.00 o
2 10 0 168.75 230.30 159.36 o
3 10 0 215.91 258.72 135.95 o
4 10 0 977.02 1253.33 174.71 o
-6 11 0 364.73 254.40 126.57 o
-5 11 0 169.82 218.73 155.17 o
-4 11 0 1188.26 1426.78 161.41 o
-3 11 0 5281.73 6186.39 226.61 o
-2 11 0 38.82 0.00 277.23 o
-1 11 0 577.41 758.83 246.95 o
0 11 0 707.90 573.51 217.62 o
1 11 0 17.07 61.56 197.21 o
2 11 0 1009.66 1221.63 296.15 o
3 11 0 1304.24 1500.82 323.12 o
-5 12 0 107.49 0.00 159.36 o
-4 12 0 2405.88 2566.96 178.92 o
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-2 12 0 559.75 1418.31 261.14 o
-1 12 0 17.22 589.46 260.20 o
0 12 0 20.38 107.42 149.33 o
1 12 0 995.51 1105.38 518.03 o
-3 13 0 57.38 282.90 199.64 o
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-1 13 0 2.96 0.00 193.96 o
1 -13 1 284.05 121.33 162.74 o
2 -13 1 27.47 35.01 202.48 o
3 -13 1 672.53 897.59 199.94 o
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0 -12 1 411.49 346.23 150.67 o
1 -12 1 7.96 255.47 246.95 o
2 -12 1 120.05 399.28 193.96 o
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1 -11 1 745.02 679.35 188.29 o
2 -11 1 1259.20 1954.70 334.47 o
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4 -11 1 199.56 298.63 125.84 o
5 -11 1 410.99 374.81 280.07 o
6 -11 1 178.55 534.31 239.85 o
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-3 -10 1 13.13 94.63 133.90 o
-2 -10 1 36.88 91.84 153.03 o
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0 -10 1 100.11 207.41 192.42 o
1 -10 1 13961.60 13753.50 243.17 o
2 -10 1 1126.17 1441.27 307.50 o
3 -10 1 3059.26 3042.55 211.47 o
4 -10 1 139.28 190.70 135.24 o
5 -10 1 190.77 330.26 304.19 o
6 -10 1 33.98 60.31 136.16 o
7 -10 1 466.46 514.71 130.16 o
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-3 -9 1 1077.58 1744.26 553.98 o
-2 -9 1 213.22 220.94 170.93 o
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3 -8 1 8608.31 8467.76 952.79 o
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5 1 1 77.50 64.61 187.97 o
6 1 1 2498.65 2254.26 428.14 o
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-3 2 1 29594.38 33183.71 595.61 o
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