#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/41/2204165.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_2204165_Fobs
loop_
_publ_author_name
'Haddad, Salim F.'
'AlDamen, Murad A.'
'Al-Far, Rawhi H.'
_publ_section_title
;
 3-Ammonio-2,6-dibromopyridine bromide hemihydrate
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1491
_journal_page_last               o1493
_journal_volume                  60
_journal_year                    2004
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   12.1230
_cell_length_b                   48.8090
_cell_length_c                   6.2620
_exptl_crystal_F_000             2544.00
_reflns_d_resolution_high        0.7603
_[local]_cod_data_source_file    dn6151Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' shelxl2 in Fdd2'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            910.45
_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'
'x+1/4, -y+1/4, z+1/4'
'-x+1/4, y+1/4, z+1/4'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'x+1/4, -y+3/4, z+3/4'
'-x+1/4, y+3/4, z+3/4'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'x+3/4, -y+1/4, z+3/4'
'-x+3/4, y+1/4, z+3/4'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'x+3/4, -y+3/4, z+1/4'
'-x+3/4, y+3/4, z+1/4'
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
3 1 -7 4304.11 2517.57 3252.29 o
5 1 -7 7773.63 5953.33 1673.05 o
7 1 -7 8029.56 5737.02 1931.88 o
1 3 -7 25747.23 23805.86 5480.12 o
3 3 -7 1138.48 1082.52 2293.61 o
5 3 -7 56.23 491.19 2234.35 o
7 3 -7 11027.65 9237.60 2313.23 o
1 5 -7 5701.07 3763.62 1932.77 o
3 5 -7 8587.07 6227.87 2930.55 o
5 5 -7 4276.69 2391.98 1911.05 o
7 5 -7 319.62 927.93 1870.01 o
1 7 -7 7805.36 7455.25 2187.33 o
7 7 -7 7626.46 6992.77 2237.35 o
1 9 -7 8639.47 9335.00 2366.86 o
3 9 -7 10933.61 7939.63 3393.90 o
5 9 -7 653.98 321.14 1979.58 o
7 9 -7 618.00 753.84 1939.68 o
1 11 -7 511.47 864.71 1351.48 o
3 11 -7 1732.20 864.47 1671.47 o
5 11 -7 6836.77 6309.64 3647.49 o
7 11 -7 219.57 901.31 1876.27 o
1 13 -7 351.37 368.55 1169.38 o
3 13 -7 21329.61 20410.70 4762.50 o
5 13 -7 18703.50 21525.29 8243.00 o
1 15 -7 6710.88 5545.96 2190.84 o
3 15 -7 12351.24 12538.00 3409.58 o
5 15 -7 6759.44 4593.14 3731.03 o
7 15 -7 1620.24 1338.48 4404.72 o
1 17 -7 1948.96 1499.20 1698.94 o
3 17 -7 3549.91 2263.87 1946.74 o
7 17 -7 15.35 542.15 3166.97 o
1 19 -7 3626.81 2416.41 1850.40 o
3 19 -7 10654.84 11330.78 3718.90 o
5 19 -7 7303.29 6473.17 5240.16 o
1 21 -7 8073.73 9327.30 2864.44 o
5 21 -7 650.58 383.95 2460.10 o
1 23 -7 2784.68 2220.57 1774.89 o
3 23 -7 7675.85 5745.08 2560.21 o
5 23 -7 4240.29 4595.75 3235.12 o
1 25 -7 8745.07 7996.34 2955.23 o
3 25 -7 2370.91 1417.08 1941.39 o
5 25 -7 5104.12 5457.20 2691.83 o
1 27 -7 665.51 1643.72 1908.03 o
3 27 -7 4508.15 3223.28 2415.65 o
5 27 -7 1321.86 841.13 2287.44 o
1 29 -7 9835.92 7791.09 2998.39 o
3 29 -7 27.63 849.07 2726.14 o
1 31 -7 10440.69 10547.01 3673.66 o
3 31 -7 3895.27 3210.51 2459.03 o
1 33 -7 3523.22 2944.27 2899.05 o
2 0 -6 16471.99 15242.66 2563.67 o
6 0 -6 19651.27 16574.24 3726.26 o
10 0 -6 286.55 1259.76 2161.30 o
0 2 -6 3714.28 2746.98 1040.77 o
2 2 -6 24998.42 25066.67 2399.62 o
4 2 -6 72392.76 72005.36 5848.01 o
6 2 -6 3535.87 2138.52 1366.08 o
8 2 -6 2708.96 3256.98 1443.21 o
10 2 -6 10856.58 11104.09 2752.06 o
2 4 -6 653.84 567.52 695.14 o
4 4 -6 5493.25 5344.69 1093.55 o
6 4 -6 304.11 995.02 805.03 o
8 4 -6 2623.95 1929.85 1241.18 o
10 4 -6 166.90 1066.52 1699.39 o
0 6 -6 28128.77 26203.27 3524.64 o
2 6 -6 6376.22 6121.05 897.23 o
4 6 -6 15432.25 16040.95 2048.29 o
6 6 -6 7051.28 6685.86 1276.77 o
8 6 -6 2677.97 2549.77 1651.05 o
10 6 -6 5336.78 4210.38 2305.25 o
2 8 -6 24471.99 24346.44 2307.35 o
4 8 -6 1437.59 1288.74 1122.84 o
6 8 -6 6517.90 6519.93 1364.73 o
8 8 -6 710.57 1795.93 2201.32 o
10 8 -6 3667.26 3198.24 1875.14 o
0 10 -6 47594.59 48179.74 5441.26 o
2 10 -6 14915.66 13955.01 1593.63 o
4 10 -6 6732.94 6638.57 1301.76 o
6 10 -6 11793.97 12213.99 1833.69 o
8 10 -6 11223.33 11112.09 2252.76 o
10 10 -6 2612.16 2791.11 2052.48 o
2 12 -6 9006.27 8667.21 1347.11 o
4 12 -6 1040.87 1136.07 858.30 o
6 12 -6 3006.16 2872.20 1129.14 o
8 12 -6 8843.66 6952.40 1490.90 o
10 12 -6 720.57 644.55 1376.70 o
0 14 -6 14983.62 14225.57 3501.73 o
2 14 -6 19870.15 18968.76 2082.05 o
4 14 -6 6738.50 6855.09 1306.54 o
6 14 -6 38669.91 40750.71 4086.82 o
8 14 -6 8616.27 7191.11 1740.77 o
10 14 -6 672.34 911.28 3367.83 o
2 16 -6 10882.43 11527.75 1432.29 o
4 16 -6 684.48 1214.66 1050.45 o
6 16 -6 1309.51 1121.23 952.34 o
8 16 -6 3244.52 2188.25 1319.22 o
10 16 -6 2399.60 1866.43 2022.97 o
0 18 -6 100837.34 103342.01 18246.34 o
2 18 -6 10656.96 9698.98 1780.60 o
4 18 -6 267.25 837.97 909.35 o
6 18 -6 5421.96 6406.54 1667.78 o
8 18 -6 22263.87 20762.45 3606.05 o
2 20 -6 12674.25 11820.29 2048.16 o
4 20 -6 575.98 690.01 1127.04 o
6 20 -6 2253.77 1759.21 1033.46 o
8 20 -6 858.99 813.21 1512.20 o
0 22 -6 14706.85 16505.55 4766.15 o
2 22 -6 4746.71 4570.04 1759.30 o
4 22 -6 2449.54 2761.53 1173.52 o
6 22 -6 1949.56 1522.31 1152.25 o
8 22 -6 6124.53 5383.54 1722.07 o
2 24 -6 1737.45 607.55 1251.16 o
4 24 -6 3226.25 1308.94 914.02 o
6 24 -6 3311.54 1697.88 1579.77 o
8 24 -6 1673.22 1734.81 1648.26 o
0 26 -6 1488.66 386.91 1903.73 o
2 26 -6 8185.89 9922.57 2488.13 o
4 26 -6 46464.51 48117.48 7108.10 o
6 26 -6 6206.75 4276.01 1598.82 o
8 26 -6 3503.59 3401.66 1929.61 o
2 28 -6 13422.48 11278.14 2798.43 o
4 28 -6 1372.70 1246.14 1134.53 o
6 28 -6 9287.73 9244.81 2470.63 o
8 28 -6 1552.36 1022.51 2249.38 o
0 30 -6 19870.91 17457.71 5389.47 o
2 30 -6 24687.66 28064.43 5068.78 o
4 30 -6 2196.13 1828.32 1786.15 o
6 30 -6 6495.34 6143.57 2677.88 o
2 32 -6 138.68 571.18 2197.62 o
4 32 -6 2664.44 2026.93 2064.74 o
6 32 -6 26.95 993.53 1630.85 o
2 34 -6 7317.52 8678.19 2739.76 o
4 34 -6 11948.82 11111.44 3365.56 o
6 34 -6 4154.20 2914.96 2440.40 o
2 36 -6 7833.47 7476.16 2738.39 o
6 36 -6 3377.93 2507.81 2520.02 o
0 38 -6 3646.24 3559.21 3201.92 o
2 38 -6 4657.31 4523.69 2160.89 o
4 38 -6 16848.93 16463.47 4816.81 o
2 40 -6 510.50 608.28 1921.83 o
4 40 -6 709.65 1233.35 2447.32 o
0 42 -6 19900.03 19559.93 7766.62 o
2 42 -6 1375.00 938.27 2324.96 o
1 1 -5 26038.85 25904.11 2484.74 o
3 1 -5 21172.38 22082.18 1859.16 o
5 1 -5 23825.24 25094.00 2101.21 o
7 1 -5 37160.01 39958.32 3920.18 o
9 1 -5 331.64 851.56 1092.24 o
11 1 -5 3790.53 2949.21 1676.66 o
1 3 -5 71495.45 72697.76 5229.65 o
3 3 -5 6496.09 7377.21 751.91 o
5 3 -5 1690.87 1558.48 627.56 o
7 3 -5 17839.58 19032.04 2398.53 o
9 3 -5 11724.85 10805.51 2334.69 o
11 3 -5 1764.71 1189.66 1234.98 o
1 5 -5 81480.33 80794.53 5108.19 o
3 5 -5 7509.88 7116.37 774.72 o
5 5 -5 670.65 922.30 621.52 o
7 5 -5 30746.64 32945.67 2838.05 o
9 5 -5 17912.30 18303.42 2755.52 o
11 5 -5 666.40 1260.49 1687.82 o
1 7 -5 33275.42 31861.56 2186.93 o
3 7 -5 19058.07 20372.27 1755.64 o
5 7 -5 6442.66 6006.60 707.79 o
7 7 -5 5180.81 5822.89 1162.00 o
9 7 -5 8899.13 10502.77 2280.38 o
11 7 -5 2778.75 2289.78 1863.35 o
1 9 -5 2293.50 2138.23 600.86 o
3 9 -5 820.13 708.53 700.08 o
5 9 -5 1086.62 1704.29 857.65 o
7 9 -5 3247.64 3555.60 1239.58 o
9 9 -5 3460.71 4190.97 1676.55 o
11 9 -5 2547.50 1637.95 1599.33 o
1 11 -5 7326.48 7355.81 732.03 o
3 11 -5 55141.28 54353.32 4944.61 o
5 11 -5 49797.33 53438.86 4408.02 o
7 11 -5 5118.01 4331.82 1293.57 o
9 11 -5 10720.00 12085.16 2161.79 o
11 11 -5 6049.04 5861.21 1923.69 o
1 13 -5 5602.44 5588.04 936.66 o
3 13 -5 41840.90 41430.89 3950.15 o
5 13 -5 54887.45 58018.26 4660.54 o
7 13 -5 1434.77 1975.99 1169.74 o
9 13 -5 7655.58 6746.18 2068.45 o
11 13 -5 1856.20 1327.03 1874.11 o
1 15 -5 30016.92 31451.96 3326.52 o
3 15 -5 28409.42 27498.36 2601.22 o
5 15 -5 16574.94 16585.64 2190.01 o
7 15 -5 12401.54 12154.84 1962.52 o
9 15 -5 8359.60 7509.47 1762.37 o
11 15 -5 5006.65 2708.35 1791.50 o
1 17 -5 19111.37 20228.86 2287.12 o
3 17 -5 61209.25 63822.55 6209.89 o
5 17 -5 16991.25 15816.66 2053.95 o
7 17 -5 2876.01 2865.34 1463.35 o
9 17 -5 10550.22 9623.08 2039.00 o
11 17 -5 14909.68 15028.65 3201.46 o
1 19 -5 283.06 467.93 741.06 o
3 19 -5 9377.09 9265.90 1539.92 o
5 19 -5 3388.62 2773.08 952.53 o
7 19 -5 1411.56 2007.33 1464.41 o
9 19 -5 935.17 1577.25 1390.12 o
11 19 -5 2688.45 1963.09 1794.59 o
1 21 -5 2877.45 3216.79 769.83 o
3 21 -5 24235.35 24994.34 2581.45 o
5 21 -5 17712.74 18173.04 2102.08 o
7 21 -5 187.89 812.33 2071.41 o
9 21 -5 2314.47 3223.11 1725.83 o
11 21 -5 2848.19 1713.91 1605.90 o
1 23 -5 29058.79 31833.01 2974.63 o
3 23 -5 22339.21 21408.63 2174.22 o
5 23 -5 13305.80 13294.57 1978.21 o
7 23 -5 4600.73 2986.68 1400.22 o
9 23 -5 4558.57 3577.82 2262.70 o
11 23 -5 5124.33 3357.42 1900.31 o
1 25 -5 10472.28 9986.04 1369.02 o
3 25 -5 7200.08 5743.21 1151.32 o
5 25 -5 3317.41 3169.87 1204.57 o
7 25 -5 11558.46 9570.98 2269.12 o
9 25 -5 974.46 914.79 1500.95 o
11 25 -5 64.49 465.71 3403.38 o
1 27 -5 22996.20 23001.32 2304.73 o
3 27 -5 20153.64 19625.95 2124.57 o
5 27 -5 33942.24 32294.29 3514.93 o
7 27 -5 15847.82 16899.63 2623.93 o
9 27 -5 10160.48 9369.51 2639.34 o
1 29 -5 36303.51 36439.24 3344.75 o
3 29 -5 8950.38 8405.12 1408.94 o
5 29 -5 17791.49 16744.67 2348.79 o
7 29 -5 19681.83 18650.39 2889.72 o
9 29 -5 10831.44 9255.07 2721.36 o
1 31 -5 14263.41 11272.60 3061.89 o
3 31 -5 8422.65 7540.05 1345.01 o
5 31 -5 7029.57 6505.35 1552.55 o
7 31 -5 4402.21 2872.82 1448.55 o
9 31 -5 3657.20 2510.56 2399.26 o
1 33 -5 31331.94 32594.49 3954.52 o
3 33 -5 4184.09 3893.22 1482.64 o
5 33 -5 408.43 666.77 940.54 o
7 33 -5 15047.12 14080.07 2636.31 o
9 33 -5 3631.99 3552.21 2723.41 o
1 35 -5 8082.64 7576.64 1967.85 o
3 35 -5 640.38 589.20 1062.04 o
5 35 -5 86.88 1058.16 1025.52 o
7 35 -5 334.56 836.12 1156.68 o
9 35 -5 5539.67 4442.16 3153.61 o
1 37 -5 980.85 1054.67 2080.30 o
3 37 -5 654.35 801.03 955.99 o
5 37 -5 4626.62 4429.35 1741.03 o
7 37 -5 4572.47 2531.96 1462.64 o
1 39 -5 8431.25 8582.90 2688.48 o
3 39 -5 6635.42 5814.69 1896.86 o
5 39 -5 17282.06 16167.47 3300.73 o
7 39 -5 12549.31 11591.75 3162.20 o
1 41 -5 3420.75 2461.01 1830.87 o
3 41 -5 17699.51 16716.50 4388.91 o
5 41 -5 7318.49 7303.74 2778.39 o
7 41 -5 1450.59 770.26 3128.45 o
1 43 -5 26627.40 24332.44 5710.53 o
3 43 -5 3463.67 3115.19 1785.91 o
5 43 -5 448.48 524.37 2643.19 o
1 45 -5 10814.06 10847.26 3454.91 o
3 45 -5 13377.48 12873.48 3845.22 o
5 45 -5 2888.04 1489.29 2091.86 o
1 47 -5 981.25 1160.30 2034.19 o
3 47 -5 643.96 1300.95 2237.09 o
1 49 -5 357.68 423.64 2509.87 o
3 49 -5 7132.68 3469.35 2663.79 o
0 0 -4 159291.91 167305.81 25051.91 o
4 0 -4 314278.38 122862.67 79432.34 o
8 0 -4 60603.71 63709.12 6116.06 o
12 0 -4 28730.04 32563.00 7088.98 o
2 2 -4 37732.19 36553.03 1993.68 o
4 2 -4 16702.50 15205.91 1115.67 o
6 2 -4 19122.52 20386.39 1776.06 o
8 2 -4 1064.78 798.94 731.06 o
10 2 -4 5659.22 5036.85 1161.32 o
12 2 -4 9371.20 8604.12 2248.53 o
0 4 -4 14104.90 13977.99 1233.27 o
2 4 -4 124126.58 131726.20 7475.94 o
4 4 -4 26495.58 27985.95 1811.44 o
6 4 -4 51495.72 52544.52 4363.16 o
8 4 -4 2338.97 3085.80 862.63 o
10 4 -4 28321.75 30500.43 3713.66 o
12 4 -4 3075.12 3407.89 1743.12 o
2 6 -4 20355.32 20584.36 1369.94 o
4 6 -4 11741.95 10879.36 870.37 o
6 6 -4 7741.91 7117.76 943.87 o
8 6 -4 5532.81 5986.11 1515.18 o
10 6 -4 3151.17 1798.14 1410.60 o
12 6 -4 4478.36 4664.73 1770.53 o
0 8 -4 106018.83 106797.09 7244.52 o
2 8 -4 15203.27 14206.56 1034.00 o
4 8 -4 33314.83 34314.38 2462.71 o
6 8 -4 8488.98 6957.05 1019.62 o
8 8 -4 15742.16 17291.39 2530.94 o
10 8 -4 10831.23 11547.66 2118.35 o
12 8 -4 2087.73 743.60 2840.49 o
2 10 -4 75230.41 78479.28 5206.92 o
4 10 -4 62.14 614.97 590.29 o
6 10 -4 13237.32 13307.02 1448.73 o
8 10 -4 3310.24 2197.42 975.87 o
10 10 -4 5827.97 5644.45 1731.99 o
12 10 -4 856.23 687.67 1653.60 o
0 12 -4 5915.92 5227.12 907.88 o
2 12 -4 136945.02 141944.67 9912.29 o
4 12 -4 41783.33 45643.81 3203.11 o
6 12 -4 114547.27 116404.98 9318.50 o
8 12 -4 894.85 744.81 889.39 o
10 12 -4 16117.13 16934.80 2502.03 o
12 12 -4 4362.30 4048.50 1626.14 o
2 14 -4 1287.15 1408.38 642.65 o
4 14 -4 4406.00 5600.08 942.56 o
6 14 -4 915.92 993.07 762.88 o
8 14 -4 24511.87 24308.53 2846.36 o
10 14 -4 788.15 948.74 1444.78 o
12 14 -4 1247.05 1500.03 1589.77 o
0 16 -4 216028.61 214015.42 18030.29 o
2 16 -4 10140.60 11050.27 1265.99 o
4 16 -4 76556.47 79611.41 6920.66 o
6 16 -4 30206.04 28652.34 2969.79 o
8 16 -4 60673.15 60331.39 5291.80 o
10 16 -4 1051.57 983.43 982.21 o
12 16 -4 14328.06 14068.31 2966.40 o
2 18 -4 55314.78 57086.96 4570.85 o
4 18 -4 0.46 356.30 784.25 o
6 18 -4 17247.70 16070.92 2181.70 o
8 18 -4 448.39 909.09 1228.38 o
10 18 -4 6609.73 6810.23 1808.76 o
12 18 -4 27.79 433.68 1853.50 o
0 20 -4 122454.09 129085.57 12543.53 o
2 20 -4 15073.51 15945.00 1374.85 o
4 20 -4 1159.46 1220.79 938.99 o
6 20 -4 18445.21 18850.07 2910.81 o
8 20 -4 26022.88 27538.21 3274.92 o
10 20 -4 3974.78 3963.87 1416.26 o
12 20 -4 992.32 2117.07 1681.24 o
2 22 -4 3919.25 4112.17 798.38 o
4 22 -4 5899.97 6414.65 1498.07 o
6 22 -4 2906.98 2107.51 1209.72 o
8 22 -4 5002.73 4782.14 1348.98 o
10 22 -4 152.08 377.66 1239.26 o
12 22 -4 4066.58 3055.67 2044.25 o
0 24 -4 25189.47 26746.81 4187.91 o
2 24 -4 12336.35 12330.05 1476.38 o
4 24 -4 49932.02 49111.70 4081.04 o
6 24 -4 13512.29 14645.21 1716.09 o
8 24 -4 12626.21 10271.55 1820.48 o
10 24 -4 6230.89 5778.64 1952.18 o
12 24 -4 3879.19 2596.94 2187.25 o
2 26 -4 25208.04 24564.77 2579.94 o
4 26 -4 1873.09 1869.96 704.58 o
6 26 -4 26756.78 27700.25 2652.05 o
8 26 -4 5827.72 4429.20 1771.21 o
10 26 -4 2145.88 1940.58 1557.87 o
12 26 -4 168.66 1718.87 2855.90 o
0 28 -4 45982.11 48802.60 7326.23 o
2 28 -4 118294.36 120747.87 10508.98 o
4 28 -4 54365.19 54057.84 4273.71 o
6 28 -4 56274.21 53686.48 5419.50 o
8 28 -4 18943.58 19351.23 3473.63 o
10 28 -4 23509.85 23071.05 4418.33 o
12 28 -4 630.94 2105.87 2587.02 o
2 30 -4 13037.00 13406.07 1665.46 o
4 30 -4 6844.58 5869.20 1052.00 o
6 30 -4 6136.65 5079.07 1615.08 o
8 30 -4 503.74 559.61 1198.78 o
0 32 -4 31822.56 31455.96 4917.39 o
2 32 -4 13747.87 15071.84 1597.12 o
4 32 -4 39116.51 38091.67 3007.94 o
6 32 -4 383.24 623.32 1314.19 o
8 32 -4 13287.51 14430.76 2931.64 o
10 32 -4 12051.39 13399.08 3319.43 o
2 34 -4 13762.13 12621.47 1498.22 o
4 34 -4 3158.80 2318.21 966.76 o
6 34 -4 3920.17 3445.36 1443.02 o
8 34 -4 2710.82 2824.42 1833.08 o
10 34 -4 961.84 649.75 1885.79 o
0 36 -4 8429.24 8778.53 2213.75 o
2 36 -4 21488.32 22330.02 2092.74 o
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