#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/41/2214173.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_2214173_Fobs
loop_
_publ_author_name
'Lee, Yong-Min'
'Ryu, Hae-Wook'
'Choi, Sung-Nak'
'Choi, Jae Soo'
'Kang, Sung Kwon'
_publ_section_title
;
 Bis(2,2'-bipyridine-1\k^2^<i>N</i>,<i>N</i>')-\m-bromido-1:2\k^2^<i>Br</i>-tribromido-2\k^3^<i>Br</i>-copper(II)mercury(II)
;
_journal_coeditor_code           DN3049
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1952
_journal_page_last               m1953
_journal_volume                  63
_journal_year                    2007
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 92.784
_cell_angle_gamma                90.000
_cell_length_a                   8.5510
_cell_length_b                   15.5220
_cell_length_c                   18.0564
_exptl_crystal_F_000             1652.00
_reflns_d_resolution_high        0.8108
_[local]_cod_data_source_file    dn3049Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '  [Cu(bpy)2-Br-HgBr3]  in P 21/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            514.23
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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 16710.11 18453.19 645.98 o
4 0 0 25627.08 26220.82 443.04 o
6 0 0 11982.72 12168.38 560.23 o
8 0 0 4282.39 4196.80 505.66 o
10 0 0 277.05 348.16 666.61 o
1 1 0 296.16 373.64 65.21 o
2 1 0 12478.94 13217.40 156.03 o
3 1 0 100.26 -67.85 116.77 o
4 1 0 22743.52 22750.69 280.55 o
5 1 0 2788.66 2963.26 177.63 o
6 1 0 1576.85 1469.71 195.10 o
7 1 0 2319.22 2489.45 274.46 o
8 1 0 2145.27 2140.89 322.63 o
9 1 0 75.71 558.15 433.61 o
10 1 0 1991.01 2010.87 479.10 o
0 2 0 264434.13 193006.44 7256.60 o
1 2 0 3044.82 3116.34 94.93 o
2 2 0 29.81 120.16 91.35 o
3 2 0 275.08 156.10 118.74 o
4 2 0 67053.08 66120.26 462.85 o
5 2 0 2222.42 2261.00 164.41 o
6 2 0 8685.42 8593.46 391.11 o
7 2 0 4566.23 4426.55 303.93 o
8 2 0 8050.51 7742.97 411.47 o
9 2 0 1753.24 1876.47 370.38 o
10 2 0 2285.82 1770.49 488.78 o
1 3 0 3922.40 4228.56 169.36 o
2 3 0 27342.05 27324.58 340.43 o
3 3 0 13448.47 14082.29 295.13 o
4 3 0 5.25 363.13 187.70 o
5 3 0 4651.66 4640.73 290.02 o
6 3 0 5645.65 5862.18 338.32 o
7 3 0 12489.99 12089.31 1432.03 o
8 3 0 3331.54 3558.11 501.20 o
9 3 0 494.19 8.64 1072.59 o
10 3 0 1398.96 1169.90 645.85 o
0 4 0 337.22 564.52 231.53 o
1 4 0 14259.76 13994.16 376.59 o
2 4 0 6962.44 7474.61 383.73 o
3 4 0 26537.53 27084.15 1124.75 o
4 4 0 94732.32 90495.61 1053.30 o
5 4 0 3449.58 3349.31 368.01 o
6 4 0 9842.77 10322.13 634.55 o
7 4 0 2824.77 2815.59 447.33 o
8 4 0 9049.51 9489.11 607.29 o
9 4 0 1232.92 1479.33 580.43 o
10 4 0 3573.42 2478.60 781.76 o
1 5 0 12205.41 12629.34 290.51 o
2 5 0 36102.85 36947.56 461.24 o
3 5 0 9429.51 9148.56 287.50 o
4 5 0 12021.92 11862.46 353.08 o
5 5 0 27.20 64.66 383.73 o
6 5 0 13677.35 14301.70 531.28 o
7 5 0 195.51 378.29 386.78 o
8 5 0 1171.96 438.13 499.02 o
9 5 0 39.02 292.24 624.86 o
10 5 0 299.99 -137.99 747.72 o
0 6 0 253.51 431.61 268.68 o
1 6 0 218.06 187.09 301.55 o
2 6 0 21816.43 21073.19 397.50 o
3 6 0 39029.34 37671.96 1186.21 o
4 6 0 42897.93 40610.53 623.24 o
5 6 0 679.43 758.93 626.69 o
6 6 0 8669.47 8767.84 495.69 o
7 6 0 1149.74 1614.82 455.90 o
8 6 0 3021.58 2792.08 533.35 o
9 6 0 29.13 -540.98 738.17 o
10 6 0 2674.01 3616.94 768.15 o
1 7 0 26890.25 26721.89 616.69 o
2 7 0 22507.73 21154.08 437.35 o
3 7 0 2078.09 1644.84 240.50 o
4 7 0 110.26 -57.13 278.69 o
5 7 0 1671.66 1212.96 297.90 o
6 7 0 11194.33 10852.83 1011.14 o
7 7 0 1002.29 25.14 519.25 o
8 7 0 814.08 260.35 1084.02 o
9 7 0 76.40 909.85 1130.47 o
0 8 0 59239.25 59123.26 1073.31 o
1 8 0 23663.03 24933.01 516.30 o
2 8 0 7182.92 6970.96 463.05 o
3 8 0 18625.78 18196.91 464.12 o
4 8 0 13816.93 12313.79 447.16 o
5 8 0 4.23 -356.42 356.42 o
6 8 0 4231.82 4737.23 456.14 o
7 8 0 3501.33 4388.13 1221.94 o
8 8 0 725.78 1008.84 839.64 o
9 8 0 630.73 965.57 989.70 o
1 9 0 504.60 813.15 474.48 o
2 9 0 14581.56 12650.20 639.55 o
3 9 0 27.37 -210.51 333.84 o
4 9 0 11019.62 10341.35 448.03 o
5 9 0 1786.52 585.24 425.45 o
6 9 0 708.26 -261.31 503.95 o
7 9 0 6.78 26.29 1379.86 o
8 9 0 731.69 -19.83 648.39 o
9 9 0 865.11 788.09 695.68 o
0 10 0 56395.61 58084.26 1250.52 o
1 10 0 52801.32 52348.80 2661.11 o
2 10 0 2384.31 2386.19 309.74 o
3 10 0 1074.93 1078.94 281.74 o
4 10 0 2380.45 2582.90 380.97 o
5 10 0 527.46 554.85 394.06 o
6 10 0 2747.77 3186.49 465.76 o
7 10 0 6731.77 7362.15 616.57 o
8 10 0 753.45 1580.64 569.87 o
1 11 0 3757.18 4057.34 433.75 o
2 11 0 3121.55 2158.35 348.61 o
3 11 0 23.38 399.77 351.66 o
4 11 0 30.47 -485.40 485.40 o
5 11 0 3165.73 3025.40 455.65 o
6 11 0 28.42 681.32 490.65 o
7 11 0 908.15 951.09 548.66 o
8 11 0 810.32 562.31 715.84 o
0 12 0 12264.15 13419.89 888.94 o
1 12 0 14232.81 13912.27 667.94 o
2 12 0 233.97 -106.60 470.88 o
3 12 0 2432.06 3014.85 600.25 o
4 12 0 3653.14 3514.54 886.80 o
5 12 0 3617.05 4018.96 495.41 o
6 12 0 1534.76 2618.07 813.20 o
7 12 0 4735.74 5412.52 637.80 o
8 12 0 1624.52 3521.73 1712.86 o
1 13 0 63.38 -161.69 559.52 o
2 13 0 1610.53 1019.14 652.42 o
3 13 0 504.86 232.47 501.93 o
4 13 0 2066.65 1917.07 778.90 o
5 13 0 1071.15 390.75 533.97 o
6 13 0 41.39 -479.27 953.97 o
7 13 0 481.77 1037.15 608.82 o
0 14 0 1446.83 2495.33 703.15 o
1 14 0 1228.14 970.96 664.56 o
2 14 0 3872.15 4272.41 808.19 o
3 14 0 8930.29 8994.60 641.48 o
4 14 0 2598.28 3456.92 567.55 o
5 14 0 1156.47 2544.22 552.78 o
6 14 0 286.23 579.45 677.43 o
7 14 0 1600.16 2722.19 1706.43 o
1 15 0 2739.82 3631.65 630.44 o
2 15 0 708.34 243.75 565.98 o
3 15 0 394.91 90.60 642.73 o
4 15 0 259.48 -140.52 683.98 o
5 15 0 66.24 504.31 630.97 o
6 15 0 271.50 -109.47 735.04 o
0 16 0 2516.06 2049.43 914.67 o
1 16 0 59.12 336.07 648.90 o
2 16 0 61.64 -133.12 623.83 o
3 16 0 12774.04 12637.03 1324.84 o
4 16 0 649.47 481.55 703.60 o
5 16 0 16.04 752.06 648.77 o
1 17 0 3314.62 3166.81 765.01 o
2 17 0 102.96 -571.16 736.37 o
3 17 0 348.85 279.41 904.66 o
4 17 0 1924.56 1286.26 788.28 o
0 18 0 2869.43 1389.15 1210.51 o
1 18 0 1047.55 1312.73 753.89 o
2 18 0 191.37 1035.96 703.35 o
3 18 0 2359.22 2232.60 906.81 o
1 19 0 161.33 -43.55 949.22 o
-9 0 1 595.44 184.33 1006.85 o
-7 0 1 237.29 841.82 906.09 o
-5 0 1 21532.97 22260.95 446.73 o
-3 0 1 5518.89 5595.13 197.52 o
-1 0 1 35155.80 36613.94 518.07 o
1 0 1 25734.15 26461.27 229.90 o
3 0 1 60639.20 60125.10 522.46 o
5 0 1 11704.63 12462.56 930.39 o
7 0 1 10907.51 10469.57 529.66 o
9 0 1 37.96 597.64 467.57 o
-10 1 1 87.19 139.70 656.60 o
-9 1 1 1379.57 1803.81 366.02 o
-8 1 1 488.34 587.96 308.19 o
-7 1 1 19093.24 18687.34 467.61 o
-6 1 1 2866.41 3217.81 206.39 o
-5 1 1 68715.18 66053.59 610.93 o
-4 1 1 16.97 130.72 120.49 o
-3 1 1 22669.18 23205.63 237.74 o
-2 1 1 3713.72 3919.38 106.08 o
-1 1 1 26523.34 27494.49 157.73 o
1 1 1 258765.75 199177.59 1107.36 o
2 1 1 26522.50 27198.54 217.71 o
3 1 1 1732.93 1902.74 114.64 o
4 1 1 3429.99 3373.57 153.51 o
5 1 1 28809.09 29130.28 495.90 o
6 1 1 14323.47 13292.26 321.20 o
7 1 1 6932.77 7185.01 339.36 o
8 1 1 1.04 -127.93 345.19 o
9 1 1 870.40 1352.41 470.53 o
10 1 1 2.07 -307.74 518.35 o
-10 2 1 905.49 873.14 467.21 o
-9 2 1 515.79 63.78 400.32 o
-8 2 1 369.68 401.61 334.90 o
-7 2 1 3889.26 4510.81 308.93 o
-6 2 1 2570.61 2599.39 208.14 o
-5 2 1 168.46 389.92 144.06 o
-4 2 1 16422.27 17084.82 255.57 o
-3 2 1 176.20 75.15 194.32 o
-2 2 1 15581.99 16005.05 175.22 o
-1 2 1 47312.01 46661.61 706.72 o
0 2 1 1176.31 1260.06 95.38 o
1 2 1 3739.39 4062.22 101.98 o
2 2 1 68629.95 68192.37 478.16 o
3 2 1 44877.11 45328.89 339.62 o
4 2 1 2595.95 2860.57 147.26 o
5 2 1 581.68 675.03 146.97 o
6 2 1 738.13 605.02 285.91 o
7 2 1 10259.18 10308.65 380.17 o
8 2 1 281.87 1011.58 301.79 o
9 2 1 11.93 516.09 370.25 o
10 2 1 372.36 582.89 481.66 o
-10 3 1 9.68 200.68 705.46 o
-9 3 1 6724.36 7642.70 1052.58 o
-8 3 1 2606.40 2025.29 472.20 o
-7 3 1 7582.85 6943.34 491.64 o
-6 3 1 4235.45 4154.16 330.96 o
-5 3 1 10818.56 10703.91 364.26 o
-4 3 1 348.52 -135.89 245.72 o
-3 3 1 97755.05 90818.97 681.09 o
-2 3 1 462.91 655.70 133.83 o
-1 3 1 42927.25 41295.94 600.97 o
0 3 1 961.06 1183.42 155.54 o
1 3 1 95502.14 88468.52 968.26 o
2 3 1 48261.06 48880.45 603.82 o
3 3 1 3211.26 3296.99 262.25 o
4 3 1 41686.87 42560.41 1121.90 o
5 3 1 21807.11 21796.34 483.60 o
6 3 1 28313.19 27527.71 1240.52 o
7 3 1 6902.20 7942.84 775.32 o
8 3 1 635.84 -142.05 512.06 o
9 3 1 5068.80 5281.72 1279.11 o
10 3 1 217.03 170.92 682.63 o
-10 4 1 32.99 -764.60 764.60 o
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0 4 1 1618.31 1902.36 246.53 o
1 4 1 6518.98 6212.76 210.60 o
2 4 1 7925.19 8011.50 236.03 o
3 4 1 7256.67 7514.91 258.33 o
4 4 1 3148.22 3664.68 234.41 o
5 4 1 11149.74 11066.41 393.25 o
6 4 1 1520.70 1194.54 301.55 o
7 4 1 10780.79 11632.28 576.64 o
8 4 1 18.95 304.01 466.64 o
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10 4 1 30.23 -685.80 756.90 o
-10 5 1 654.02 447.45 1058.30 o
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-7 5 1 310.13 19.73 441.75 o
-6 5 1 624.22 444.11 390.16 o
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-4 5 1 1130.85 1297.97 205.11 o
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0 5 1 3584.98 3648.61 548.09 o
1 5 1 14224.24 13670.81 298.39 o
2 5 1 2087.59 2447.28 252.25 o
3 5 1 2601.55 2894.50 221.82 o
4 5 1 26979.13 26659.64 504.41 o
5 5 1 36798.29 34910.09 1034.72 o
6 5 1 1972.00 1831.88 372.86 o
7 5 1 1935.62 2041.51 440.19 o
8 5 1 524.83 -707.06 916.81 o
9 5 1 9558.17 8679.56 2048.71 o
10 5 1 4.53 -444.28 1199.79 o
-10 6 1 1306.17 378.05 760.01 o
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-7 6 1 1069.94 1701.06 540.94 o
-6 6 1 1037.36 1543.37 351.09 o
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-4 6 1 6379.55 6729.48 301.20 o
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0 6 1 1164.50 1451.25 302.98 o
1 6 1 3692.36 3935.77 252.25 o
2 6 1 13005.65 12692.68 379.44 o
3 6 1 7197.30 7497.09 291.72 o
4 6 1 2550.85 2839.12 259.63 o
5 6 1 2962.75 3614.55 313.34 o
6 6 1 115.57 221.10 371.89 o
7 6 1 6609.98 8349.02 701.72 o
8 6 1 1.01 -203.95 525.97 o
9 6 1 11.06 -594.59 927.53 o
-9 7 1 3989.97 4460.61 683.66 o
-8 7 1 220.94 1026.93 571.67 o
-7 7 1 313.28 -82.56 502.84 o
-6 7 1 233.82 567.51 753.89 o
-5 7 1 4181.17 4034.91 328.69 o
-4 7 1 22.36 351.48 239.30 o
-3 7 1 30078.22 28592.63 950.40 o
-2 7 1 29045.07 27956.15 966.12 o
-1 7 1 10690.33 10938.84 581.67 o
0 7 1 5268.74 5898.11 293.56 o
1 7 1 34703.90 33529.72 527.01 o
2 7 1 42883.60 40274.97 583.07 o
3 7 1 20582.80 19620.62 494.49 o
4 7 1 5511.46 5108.25 316.18 o
5 7 1 62579.22 59300.93 866.16 o
6 7 1 4648.17 4257.60 437.05 o
7 7 1 90.95 86.02 819.63 o
8 7 1 1618.03 2187.00 514.61 o
9 7 1 1976.60 2345.31 639.16 o
-9 8 1 184.79 26.18 661.35 o
-8 8 1 194.35 622.45 660.28 o
-7 8 1 25.12 -294.29 555.95 o
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0 8 1 10159.96 10877.82 375.90 o
1 8 1 33458.49 32656.92 623.83 o
2 8 1 14416.73 13884.02 406.48 o
3 8 1 4127.99 4028.94 294.01 o
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5 8 1 1013.98 1528.64 333.74 o
6 8 1 3196.66 3599.47 419.74 o
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9 8 1 117.52 -355.35 772.47 o
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0 9 1 5931.68 5800.46 344.57 o
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3 9 1 12803.46 11661.84 449.62 o
4 9 1 37.59 323.42 272.96 o
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-6 10 1 487.60 381.05 486.28 o
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1 10 1 12186.20 12085.03 616.69 o
2 10 1 1598.42 1235.93 340.86 o
3 10 1 4192.36 4097.24 355.71 o
4 10 1 2041.30 2022.18 356.30 o
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-1 12 1 967.00 1518.99 409.25 o
0 12 1 226.49 241.71 410.63 o
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2 12 1 1619.40 1444.69 432.51 o
3 12 1 3733.09 3249.67 460.32 o
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5 12 1 12.16 -526.89 526.89 o
6 12 1 750.17 562.99 529.26 o
7 12 1 893.11 1291.51 791.04 o
8 12 1 1875.75 1813.73 710.91 o
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-6 13 1 7371.76 8357.40 718.48 o
-5 13 1 1603.59 823.20 527.52 o
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-1 13 1 587.44 601.79 438.91 o
0 13 1 3172.70 3136.47 530.51 o
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2 13 1 2548.44 3016.75 477.86 o
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7 13 1 1230.79 -208.90 976.84 o
-7 14 1 2996.92 1123.33 1296.97 o
-6 14 1 257.85 156.72 731.73 o
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-3 14 1 241.54 -328.25 873.94 o
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