#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/95/2209563.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_2209563_Fobs
loop_
_publ_author_name
'Itazaki, Masumi'
'Ujihara, Rie'
'Nakazawa, Hiroshi'
_publ_section_title
;
 <i>fac</i>-[Bis(2-pyridylmethyl)amine-\k^3^<i>N</i>]tribromoindium(III)
;
_journal_coeditor_code           IS2057
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1649
_journal_page_last               m1650
_journal_volume                  62
_journal_year                    2006
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   13.9954
_cell_length_b                   14.2269
_cell_length_c                   7.9682
_exptl_crystal_F_000             1040.00
_reflns_d_resolution_high        0.7701
_[local]_cod_data_source_file    is2057Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' _saku-uji-060215'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            351.87
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z-1/2'
'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
4 0 0 34016.09 32359.25 518.03 o
6 0 0 10180.63 10834.22 221.78 o
8 0 0 53639.47 50624.66 1130.84 o
10 0 0 7.37 177.39 133.90 o
12 0 0 9969.94 11274.74 626.93 o
14 0 0 8447.37 8833.37 435.30 o
16 0 0 36.97 217.61 353.67 o
18 0 0 968.04 515.17 234.25 o
4 1 0 24383.18 23991.96 549.36 o
6 1 0 9581.05 9413.61 125.23 o
8 1 0 35780.17 38071.04 387.51 o
10 1 0 19424.70 19710.19 237.70 o
12 1 0 30674.02 28332.85 903.47 o
14 1 0 5159.19 5400.72 287.80 o
16 1 0 3823.17 4413.75 284.55 o
18 1 0 1802.04 1965.26 222.72 o
2 2 0 4208.85 4347.43 65.30 o
4 2 0 4556.82 4182.30 91.13 o
6 2 0 9687.39 9416.55 151.49 o
8 2 0 29930.40 29874.92 281.84 o
10 2 0 26.06 129.22 77.39 o
12 2 0 5022.27 5001.14 255.54 o
14 2 0 216.17 332.99 133.98 o
16 2 0 3935.68 3942.01 265.60 o
18 2 0 893.36 598.65 217.33 o
2 3 0 4794.91 4383.03 117.35 o
4 3 0 3500.48 3224.71 55.74 o
6 3 0 73689.82 69642.51 704.69 o
8 3 0 13297.39 13655.08 157.42 o
10 3 0 3439.87 3494.65 104.33 o
12 3 0 282.33 341.98 64.76 o
14 3 0 27625.79 27990.50 572.67 o
16 3 0 795.62 652.34 150.39 o
0 4 0 5124.37 5584.81 91.84 o
4 4 0 37251.21 34768.43 413.18 o
6 4 0 49178.51 49874.08 439.93 o
8 4 0 16867.34 16171.11 229.61 o
10 4 0 514.99 548.41 61.92 o
12 4 0 667.22 679.17 99.54 o
14 4 0 266.70 371.90 135.73 o
16 4 0 10193.40 10065.36 379.85 o
2 5 0 2798.65 2564.17 56.66 o
4 5 0 1427.98 1588.47 49.33 o
6 5 0 51412.97 49789.28 322.80 o
8 5 0 505.96 680.81 93.07 o
10 5 0 46.02 182.81 69.55 o
12 5 0 507.61 527.64 125.68 o
14 5 0 13887.10 15128.37 395.65 o
16 5 0 1.82 51.30 329.62 o
0 6 0 123814.36 120808.95 1532.07 o
2 6 0 197.24 322.92 33.50 o
4 6 0 269.05 378.83 58.89 o
6 6 0 397.55 686.26 105.64 o
8 6 0 29312.92 29609.23 405.12 o
10 6 0 172.40 324.82 64.44 o
12 6 0 2647.58 2712.17 128.93 o
14 6 0 2418.28 2021.86 145.84 o
16 6 0 726.58 893.71 189.37 o
2 7 0 27177.95 26127.86 209.74 o
4 7 0 16805.64 16659.12 185.38 o
6 7 0 3410.77 3675.12 76.44 o
8 7 0 22281.88 23070.72 292.82 o
10 7 0 21299.34 21082.18 268.42 o
12 7 0 20299.04 20252.68 300.85 o
14 7 0 879.07 1108.23 191.27 o
16 7 0 2826.40 2815.80 364.27 o
0 8 0 103825.65 106214.68 1654.64 o
2 8 0 3535.72 3491.59 67.05 o
4 8 0 1997.27 1889.72 52.60 o
8 8 0 29756.52 29937.03 373.84 o
10 8 0 105.38 459.21 96.30 o
12 8 0 7138.14 7043.10 424.53 o
14 8 0 650.01 708.53 168.01 o
16 8 0 187.83 347.24 149.31 o
2 9 0 12400.03 12600.04 131.21 o
4 9 0 676.99 635.69 38.38 o
6 9 0 16104.22 15714.48 144.94 o
8 9 0 1143.62 1178.80 67.79 o
10 9 0 1334.66 1519.84 102.42 o
12 9 0 4493.38 4629.49 215.85 o
14 9 0 8185.69 7628.66 516.32 o
0 10 0 10673.90 10895.91 117.35 o
2 10 0 21176.28 20980.12 195.96 o
4 10 0 10135.71 10106.56 124.43 o
6 10 0 8769.28 9262.55 114.96 o
8 10 0 7176.79 6979.02 188.12 o
10 10 0 8.76 314.50 103.98 o
12 10 0 1502.12 1600.62 172.63 o
14 10 0 7.95 306.23 153.07 o
2 11 0 3082.70 2921.62 83.44 o
4 11 0 1151.47 1161.93 54.54 o
6 11 0 23333.21 23459.17 273.98 o
8 11 0 3302.19 3629.20 103.04 o
10 11 0 987.60 1141.42 89.55 o
12 11 0 119.28 300.31 124.64 o
14 11 0 12314.50 11134.35 269.94 o
0 12 0 7687.31 7201.48 118.32 o
2 12 0 4387.72 4245.35 108.21 o
4 12 0 5591.90 5567.94 119.30 o
6 12 0 1474.48 1559.66 63.09 o
8 12 0 2391.49 2315.72 120.04 o
10 12 0 36.07 157.19 119.80 o
12 12 0 737.00 790.52 113.23 o
2 13 0 5629.10 5329.68 108.55 o
4 13 0 1395.91 1553.12 124.89 o
6 13 0 1218.28 1082.55 53.55 o
8 13 0 1180.16 1131.01 85.46 o
10 13 0 3768.77 3917.61 195.61 o
12 13 0 2694.27 2659.73 188.90 o
0 14 0 22084.03 23415.34 506.80 o
2 14 0 4248.23 3778.45 125.10 o
4 14 0 1139.98 1296.57 125.08 o
6 14 0 7.61 162.39 90.20 o
8 14 0 10025.85 9775.52 304.61 o
10 14 0 3.16 288.73 156.16 o
2 15 0 3334.50 3466.01 185.39 o
4 15 0 3303.20 3238.40 139.09 o
6 15 0 1449.84 1358.71 103.30 o
8 15 0 2966.81 2860.50 222.57 o
10 15 0 4623.78 3850.07 228.42 o
0 16 0 7590.81 7902.67 329.73 o
2 16 0 220.83 342.12 145.48 o
4 16 0 356.68 284.53 110.04 o
6 16 0 507.11 597.15 459.77 o
8 16 0 5807.85 5671.35 506.47 o
2 17 0 908.01 920.64 148.88 o
4 17 0 19.51 40.75 151.69 o
6 17 0 8060.18 6358.61 448.97 o
0 18 0 392.17 792.42 313.86 o
2 18 0 3038.96 2766.42 344.44 o
4 18 0 4964.02 4354.22 230.00 o
3 0 1 4182.33 4169.58 133.65 o
4 0 1 18148.44 17667.96 425.83 o
5 0 1 31561.59 30293.43 365.55 o
6 0 1 402.55 420.87 107.81 o
7 0 1 9.13 313.40 116.42 o
8 0 1 12499.85 11442.01 228.32 o
9 0 1 8488.77 7926.40 180.79 o
10 0 1 30602.57 31002.34 484.15 o
11 0 1 233.02 280.87 80.54 o
12 0 1 21979.90 22817.11 385.51 o
13 0 1 3866.59 3960.46 159.39 o
14 0 1 591.39 479.48 156.79 o
15 0 1 1912.42 1851.06 215.75 o
16 0 1 1474.32 1721.13 241.80 o
17 0 1 16.81 184.97 189.54 o
18 0 1 3218.15 3050.97 272.42 o
2 1 1 4874.06 5420.56 146.14 o
3 1 1 9762.88 10134.06 111.00 o
4 1 1 120.04 116.03 47.06 o
5 1 1 228.87 217.21 48.29 o
6 1 1 382.77 492.09 46.03 o
7 1 1 618.62 597.45 75.59 o
8 1 1 29877.14 27532.56 416.68 o
9 1 1 3885.57 3652.89 98.49 o
10 1 1 260.20 421.34 69.75 o
11 1 1 2495.09 2656.66 106.32 o
12 1 1 7173.72 7395.67 168.60 o
13 1 1 366.77 456.26 69.36 o
14 1 1 1770.51 1671.93 65.66 o
15 1 1 19.23 369.29 159.92 o
16 1 1 598.73 619.20 111.05 o
17 1 1 2936.56 2907.73 214.18 o
18 1 1 7.10 347.34 134.09 o
1 2 1 2482.96 2871.76 57.08 o
2 2 1 15698.84 16200.73 187.09 o
3 2 1 19021.30 19085.59 125.98 o
4 2 1 368.07 470.85 40.39 o
5 2 1 5165.43 4830.14 50.41 o
6 2 1 43700.78 43108.03 324.35 o
7 2 1 2584.21 2575.96 66.90 o
8 2 1 16.77 87.97 71.14 o
9 2 1 23.72 296.86 65.71 o
10 2 1 772.25 795.48 59.21 o
11 2 1 4605.60 4482.22 74.09 o
12 2 1 1221.34 1183.84 72.30 o
13 2 1 72.65 325.39 76.35 o
14 2 1 11949.61 11531.41 208.66 o
15 2 1 26.31 345.30 148.13 o
16 2 1 11.67 144.15 124.93 o
17 2 1 363.61 521.93 201.53 o
0 3 1 28035.83 28509.42 276.43 o
1 3 1 27990.69 29142.80 182.69 o
3 3 1 421.71 436.80 40.15 o
4 3 1 53533.39 51294.10 334.31 o
5 3 1 9384.61 9290.16 71.49 o
6 3 1 15458.01 14712.03 122.38 o
7 3 1 6.04 150.15 70.76 o
8 3 1 9172.76 8920.16 94.07 o
9 3 1 7865.12 7998.96 124.04 o
10 3 1 207.19 275.67 51.58 o
11 3 1 3537.34 3518.99 72.29 o
12 3 1 1600.64 1534.48 69.97 o
13 3 1 66.21 342.16 75.85 o
14 3 1 18.61 423.63 86.55 o
15 3 1 3061.75 2956.66 163.57 o
16 3 1 9551.23 8815.52 252.48 o
17 3 1 450.01 487.96 141.87 o
1 4 1 17016.46 17560.29 96.63 o
2 4 1 14942.12 14806.24 80.32 o
3 4 1 32093.24 32616.99 163.46 o
4 4 1 4110.25 4077.12 55.84 o
5 4 1 488.65 396.62 29.30 o
6 4 1 71208.71 70413.05 374.11 o
7 4 1 5251.37 4910.18 67.01 o
8 4 1 7932.27 7789.53 83.82 o
9 4 1 3029.87 3363.09 63.11 o
10 4 1 1255.39 1396.50 59.23 o
11 4 1 7361.34 7490.37 100.27 o
12 4 1 1611.74 1693.71 75.41 o
13 4 1 1105.31 1052.99 63.86 o
14 4 1 22982.18 23311.21 602.15 o
15 4 1 245.99 326.89 70.32 o
16 4 1 1354.25 1079.95 131.38 o
17 4 1 713.04 917.65 135.30 o
0 5 1 12525.59 12134.53 102.16 o
1 5 1 2038.11 1986.58 45.17 o
2 5 1 2004.69 1889.73 40.64 o
3 5 1 625.60 721.84 25.88 o
4 5 1 19484.81 19745.12 167.65 o
5 5 1 453.20 575.14 56.34 o
6 5 1 6089.08 5886.44 62.59 o
7 5 1 235.52 403.42 31.25 o
8 5 1 14249.18 14319.71 173.19 o
9 5 1 8859.98 8409.28 121.40 o
10 5 1 45.88 238.00 43.22 o
11 5 1 4094.54 4217.05 100.82 o
12 5 1 6345.58 5691.94 249.52 o
13 5 1 1219.30 1206.03 74.42 o
14 5 1 39.20 173.98 88.29 o
15 5 1 1083.41 1204.77 101.39 o
16 5 1 3246.59 2986.88 158.67 o
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1 6 1 4969.02 4848.50 50.52 o
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6 6 1 4206.18 4014.78 69.26 o
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11 6 1 88.76 296.57 49.07 o
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13 6 1 988.11 1094.28 77.23 o
14 6 1 2832.33 2543.68 128.87 o
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16 6 1 250.78 502.37 122.11 o
17 6 1 11.39 199.25 120.23 o
0 7 1 104058.89 104775.13 789.30 o
1 7 1 1892.67 1763.33 44.65 o
2 7 1 10762.40 10465.57 67.11 o
3 7 1 8014.43 7652.33 57.62 o
4 7 1 4073.84 4332.60 49.31 o
5 7 1 4226.89 4431.04 59.16 o
6 7 1 283.48 329.77 30.89 o
7 7 1 587.38 504.39 39.95 o
8 7 1 24899.35 25172.74 166.29 o
9 7 1 2372.85 2221.55 64.68 o
10 7 1 43.42 248.73 50.02 o
11 7 1 1366.70 1323.66 65.00 o
12 7 1 6731.14 6842.21 126.83 o
13 7 1 1128.80 1245.20 80.87 o
14 7 1 3015.02 2833.11 198.77 o
15 7 1 93.20 240.54 79.15 o
16 7 1 21.51 327.49 127.85 o
1 8 1 300.34 285.13 26.46 o
2 8 1 13294.29 13083.67 76.99 o
3 8 1 1900.20 1850.38 35.30 o
4 8 1 7666.30 7778.33 67.96 o
5 8 1 8777.44 8713.63 99.26 o
6 8 1 2325.54 2281.74 43.81 o
7 8 1 1087.98 1129.75 45.18 o
8 8 1 7107.50 7225.54 80.67 o
9 8 1 1813.24 1913.71 51.17 o
10 8 1 11544.75 11332.50 132.92 o
11 8 1 99.75 226.69 69.56 o
12 8 1 9726.94 9684.91 259.56 o
13 8 1 2870.06 2622.03 118.75 o
14 8 1 932.64 772.82 88.20 o
15 8 1 398.43 401.45 85.23 o
16 8 1 695.99 825.27 155.30 o
0 9 1 22063.25 22371.52 205.93 o
1 9 1 2918.33 2966.17 46.77 o
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3 9 1 2575.26 2626.79 43.71 o
4 9 1 4386.45 4350.34 66.32 o
5 9 1 189.76 253.07 27.06 o
6 9 1 445.09 417.03 28.58 o
7 9 1 8.40 189.84 40.84 o
8 9 1 6705.98 6140.62 102.73 o
9 9 1 1154.00 1275.49 67.55 o
10 9 1 126.42 447.93 73.47 o
11 9 1 794.14 805.74 81.82 o
12 9 1 1192.10 1387.37 131.36 o
13 9 1 31.07 188.86 94.18 o
14 9 1 473.90 525.53 95.37 o
15 9 1 129.77 377.93 108.49 o
1 10 1 29.64 126.52 33.89 o
2 10 1 3537.76 3604.25 45.78 o
3 10 1 7012.24 6843.60 62.95 o
4 10 1 1598.64 1581.01 39.76 o
5 10 1 549.45 570.39 29.35 o
6 10 1 23712.21 23106.92 207.75 o
7 10 1 3940.07 3791.38 65.95 o
8 10 1 4327.49 4293.24 81.98 o
9 10 1 607.82 622.46 67.78 o
10 10 1 345.66 366.92 46.77 o
11 10 1 4569.14 4296.44 102.46 o
12 10 1 371.74 471.78 75.54 o
13 10 1 184.86 261.57 74.02 o
14 10 1 8415.11 8194.22 176.49 o
15 10 1 2.60 185.74 112.99 o
0 11 1 124.88 260.58 58.12 o
1 11 1 8216.60 7980.77 74.53 o
2 11 1 11989.57 12118.96 90.64 o
3 11 1 658.98 592.49 32.53 o
4 11 1 19748.11 19457.12 144.33 o
5 11 1 3159.35 3039.73 47.26 o
6 11 1 7538.09 7628.48 94.42 o
7 11 1 30.61 234.82 44.02 o
8 11 1 3103.29 3061.91 61.97 o
9 11 1 2845.08 2835.32 79.64 o
10 11 1 4.82 239.80 67.23 o
11 11 1 1321.10 1381.54 168.98 o
12 11 1 1536.25 1483.08 94.14 o
13 11 1 69.95 260.18 88.40 o
14 11 1 294.14 385.80 83.14 o
1 12 1 335.75 467.99 38.79 o
2 12 1 3461.78 3483.22 58.43 o
3 12 1 4115.43 4123.40 100.07 o
4 12 1 64.93 186.33 38.48 o
5 12 1 451.39 470.92 49.02 o
6 12 1 13259.05 12785.27 152.39 o
7 12 1 1916.26 1832.43 46.10 o
8 12 1 905.14 958.21 42.70 o
9 12 1 172.99 245.56 57.65 o
10 12 1 126.33 223.19 73.55 o
11 12 1 1786.13 1900.58 102.51 o
12 12 1 2.25 305.04 91.24 o
13 12 1 452.89 459.86 81.10 o
0 13 1 14886.00 15517.44 271.51 o
1 13 1 131.17 283.68 49.48 o
2 13 1 1.49 235.74 65.35 o
3 13 1 367.54 423.33 47.89 o
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5 13 1 7.21 207.54 37.56 o
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7 13 1 155.55 170.48 59.02 o
8 13 1 6429.42 6450.33 120.65 o
9 13 1 1350.85 1324.20 91.02 o
10 13 1 11.54 328.91 78.68 o
11 13 1 430.11 473.79 84.03 o
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1 14 1 939.99 930.26 68.37 o
2 14 1 6010.51 5880.42 133.58 o
3 14 1 569.76 632.59 29.07 o
4 14 1 2280.51 2230.70 58.26 o
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8 14 1 2542.17 2396.15 102.55 o
9 14 1 343.25 414.42 73.26 o
10 14 1 6625.23 7033.04 252.51 o
11 14 1 8.20 242.22 105.16 o
0 15 1 15299.72 15358.63 259.52 o
1 15 1 218.17 313.82 76.53 o
2 15 1 1284.10 1239.85 87.56 o
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4 15 1 68.89 389.72 93.27 o
5 15 1 853.03 816.61 81.48 o
6 15 1 534.54 671.11 88.47 o
7 15 1 17.27 264.75 90.74 o
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9 15 1 250.74 415.41 109.34 o
10 15 1 76.04 235.07 114.53 o
1 16 1 15.29 170.58 103.34 o
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8 16 1 25.26 239.50 132.41 o
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1 17 1 547.27 634.30 83.40 o
2 17 1 850.93 1235.86 207.50 o
3 17 1 23.71 181.51 127.63 o
4 17 1 2171.84 2520.10 154.63 o
5 17 1 26.85 340.80 105.62 o
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15 0 2 350.51 438.88 286.31 o
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17 0 2 13813.09 14266.36 889.01 o
1 1 2 8411.44 8926.04 74.85 o
2 1 2 26144.88 26379.47 296.94 o
3 1 2 6251.58 6356.34 103.36 o
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5 1 2 40114.31 39701.22 398.02 o
6 1 2 3487.06 3730.64 63.05 o
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8 1 2 47.66 189.59 39.25 o
9 1 2 10958.42 10811.05 142.11 o
10 1 2 21465.24 20098.77 212.00 o
11 1 2 77.67 290.64 117.38 o
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13 1 2 6750.83 6739.72 239.38 o
14 1 2 172.73 482.16 84.36 o
15 1 2 4305.39 4675.22 214.50 o
16 1 2 334.77 438.00 118.74 o
17 1 2 21.27 174.91 134.20 o
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1 2 2 5335.06 5110.89 53.33 o
2 2 2 1874.85 1852.26 38.41 o
3 2 2 2903.96 2938.27 56.13 o
4 2 2 38813.77 39132.13 261.69 o
5 2 2 97.69 317.33 65.06 o
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13 2 2 71.14 288.79 79.14 o
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