#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2217464.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_2217464_Fobs
loop_
_publ_author_name
'Wang, Yifeng'
'Zhang, Shuai'
'Xia, Aibao'
'Luo, Shuping'
'Xu, Danqian'
_publ_section_title
;
 (<i>S</i>)-2-Amino-1-(pyrrolidinium-2-ylmethyl)pyridinium dibromide
;
_journal_coeditor_code           CS2067
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o473
_journal_volume                  64
_journal_year                    2008
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_[local]_cod_data_source_file    cs2067Isup2.hkl
_[local]_cod_data_source_block   I
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_F_squared_calc
_refln_observed_status
6 -5 0 27201.90 80.64 30492.95 o
7 -5 0 4037.33 86.12 3183.72 o
8 -5 0 2509.01 118.16 1552.30 o
9 -5 0 1265.22 645.16 1377.61 o
10 -5 0 3762.60 685.39 3585.82 o
4 -4 0 52139.16 572.64 54169.20 o
5 -4 0 10459.15 58.06 10235.91 o
6 -4 0 6724.00 56.70 5433.25 o
7 -4 0 8584.02 124.55 7951.33 o
8 -4 0 25657.63 40.83 20970.50 o
9 -4 0 6217.32 121.00 5375.70 o
10 -4 0 2036.72 219.63 1704.94 o
11 -4 0 1192.32 423.54 1441.28 o
2 -3 0 42642.25 31.70 42113.39 o
3 -3 0 83376.56 89.30 87201.46 o
4 -3 0 1694.15 26.42 1536.92 o
5 -3 0 76071.16 61.62 73990.31 o
6 -3 0 22389.14 23.33 22313.81 o
7 -3 0 15911.30 34.22 15376.84 o
8 -3 0 6009.35 46.51 6147.69 o
9 -3 0 19490.95 49.28 20575.63 o
10 -3 0 1773.25 168.74 2980.94 o
11 -3 0 1089.66 359.10 1259.22 o
12 -3 0 2443.32 697.49 3235.46 o
1 -2 0 243305.43 192.10 233761.81 o
2 -2 0 3410.56 6.00 3431.27 o
3 -2 0 213323.90 182.79 212566.99 o
4 -2 0 35400.42 25.20 32389.64 o
5 -2 0 66930.86 60.53 65852.38 o
6 -2 0 9765.39 19.01 10461.52 o
7 -2 0 56259.10 62.57 53232.01 o
8 -2 0 3562.90 33.87 3759.75 o
9 -2 0 3426.93 47.61 3242.88 o
10 -2 0 9469.24 55.35 8519.53 o
11 -2 0 17168.86 95.26 15734.80 o
12 -2 0 225.60 176.09 480.38 o
2 -1 0 397164.64 428.90 386121.43 o
3 -1 0 166056.25 112.36 158277.80 o
4 -1 0 13449.04 11.90 13135.49 o
5 -1 0 62415.03 41.60 60733.27 o
6 -1 0 112010.70 96.43 105230.02 o
7 -1 0 16749.54 28.84 16429.63 o
8 -1 0 5431.69 38.19 5452.50 o
9 -1 0 24404.69 58.22 24693.14 o
10 -1 0 17389.70 49.56 15964.75 o
11 -1 0 2145.54 108.58 2230.39 o
12 -1 0 4452.89 190.99 4409.59 o
2 0 0 44529.44 15.76 42623.60 o
3 0 0 41176.53 19.18 40051.01 o
4 0 0 329269.39 357.97 313532.21 o
5 0 0 173.19 37.33 77.55 o
6 0 0 20891.81 19.80 19632.31 o
7 0 0 18771.74 31.14 17707.74 o
8 0 0 61816.88 61.15 63365.42 o
9 0 0 21776.90 39.56 23278.94 o
10 0 0 5249.00 60.84 5111.21 o
11 0 0 1858.47 121.00 2342.67 o
12 0 0 7082.91 96.83 6895.40 o
13 0 0 2210.88 125.22 2483.64 o
1 1 0 40332.69 17.72 42435.27 o
2 1 0 388228.69 428.49 387500.79 o
3 1 0 159105.25 110.88 156931.20 o
4 1 0 15338.82 12.67 14943.14 o
5 1 0 68817.03 41.86 68865.68 o
6 1 0 103021.74 78.15 101123.48 o
7 1 0 17231.81 20.52 17396.63 o
8 1 0 3659.04 54.76 3562.42 o
9 1 0 29234.16 37.45 29074.61 o
10 1 0 16798.75 41.09 16412.91 o
11 1 0 2287.71 123.43 2102.87 o
12 1 0 3769.96 301.37 4926.37 o
1 2 0 207771.87 194.04 221869.41 o
2 2 0 3260.41 4.37 3539.10 o
3 2 0 204276.88 169.78 207306.82 o
4 2 0 35111.26 20.79 33957.81 o
5 2 0 68581.13 43.82 69827.62 o
6 2 0 10716.39 20.43 11263.62 o
7 2 0 54023.70 46.51 54595.13 o
8 2 0 4803.88 25.10 4953.88 o
9 2 0 4171.87 22.66 3775.76 o
10 2 0 8635.98 31.70 8423.47 o
11 2 0 14918.18 48.02 15702.09 o
12 2 0 57.76 796.37 367.79 o
1 3 0 41326.82 24.90 47495.85 o
2 3 0 39744.41 23.81 43082.72 o
3 3 0 77178.40 52.42 82714.75 o
4 3 0 2740.52 22.56 2438.34 o
5 3 0 79958.87 58.52 79666.65 o
6 3 0 23725.24 17.39 23080.31 o
7 3 0 15383.44 24.80 14959.09 o
8 3 0 7837.56 14.29 8173.90 o
9 3 0 20243.60 34.93 20054.99 o
10 3 0 2486.02 21.53 2535.93 o
11 3 0 1671.99 83.91 1282.47 o
12 3 0 4078.10 57.61 3340.18 o
0 4 0 168543.09 162.05 184115.56 o
1 4 0 12925.42 14.52 14484.23 o
2 4 0 7459.78 11.42 6927.94 o
3 4 0 9416.76 9.67 10078.13 o
4 4 0 50427.19 39.31 52392.54 o
5 4 0 11278.44 8.82 11952.28 o
6 4 0 4866.46 6.15 4889.81 o
7 4 0 7906.77 13.54 8933.87 o
8 4 0 19926.15 25.20 20295.89 o
9 4 0 3736.88 113.64 4771.94 o
10 4 0 1542.92 151.04 1496.28 o
11 4 0 1572.12 216.68 1282.47 o
1 5 0 2638.88 21.53 2840.19 o
2 5 0 64105.18 67.08 61961.15 o
3 5 0 9453.67 13.18 9701.90 o
4 5 0 8213.80 9.24 8056.37 o
5 5 0 5367.03 10.50 5366.14 o
6 5 0 29077.07 14.90 28191.61 o
7 5 0 3120.34 95.06 3302.59 o
8 5 0 1514.77 139.00 1305.94 o
9 5 0 1227.80 156.50 1339.15 o
10 5 0 3724.66 68.72 3856.35 o
0 6 0 15565.06 34.34 15604.16 o
1 6 0 12764.48 26.11 12749.61 o
2 6 0 130.42 60.22 44.27 o
3 6 0 14106.31 18.66 12690.75 o
4 6 0 11948.68 16.16 11598.37 o
5 6 0 8062.24 100.40 8185.70 o
6 6 0 693.27 186.32 732.82 o
7 6 0 3870.08 165.64 4036.65 o
8 6 0 2084.84 133.86 2743.68 o
1 7 0 9590.28 34.46 9182.19 o
2 7 0 4111.37 42.90 3423.64 o
3 7 0 7281.21 20.98 6479.37 o
4 7 0 7.90 1153.28 245.09 o
5 7 0 9068.75 72.42 8387.59 o
6 7 0 1776.62 354.19 1893.02 o
0 8 0 8510.06 30.58 6971.44 o
-10 -5 1 1357.92 230.13 1199.75 o
-9 -5 1 2355.16 203.35 2945.43 o
4 -5 1 7969.13 46.79 7004.16 o
5 -5 1 17321.19 233.48 16279.48 o
6 -5 1 3307.40 173.71 3257.76 o
7 -5 1 5760.81 101.40 4522.93 o
8 -5 1 2761.50 173.45 2622.06 o
9 -5 1 8221.05 193.77 7324.37 o
-11 -4 1 -54.76 10903.54 2138.92 o
-10 -4 1 8150.48 180.63 7606.16 o
-9 -4 1 3086.91 178.76 2959.61 o
-8 -4 1 4270.62 146.65 4280.60 o
-7 -4 1 9936.10 235.62 10743.62 o
-6 -4 1 18004.27 60.06 18302.91 o
2 -4 1 53559.84 49.98 48985.83 o
3 -4 1 37962.63 232.87 40024.90 o
4 -4 1 21418.32 60.53 21925.75 o
5 -4 1 33863.36 40.83 31272.44 o
6 -4 1 4348.08 31.02 3783.78 o
7 -4 1 18457.94 34.57 17207.86 o
8 -4 1 3496.36 33.06 2980.94 o
9 -4 1 6427.23 68.23 5637.07 o
10 -4 1 375.20 438.48 483.24 o
-12 -3 1 -81.36 7917.44 2108.86 o
-11 -3 1 8128.83 168.22 6616.61 o
-10 -3 1 2890.14 261.79 3310.09 o
-9 -3 1 2043.94 18.66 2031.70 o
-8 -3 1 9465.34 36.84 10368.32 o
-7 -3 1 45462.77 46.24 46084.89 o
-6 -3 1 26732.25 19.80 24570.29 o
-5 -3 1 16915.60 43.03 16246.20 o
-4 -3 1 14711.26 30.36 15393.02 o
0 -3 1 29169.22 13.91 31249.37 o
1 -3 1 47110.70 28.84 46872.41 o
2 -3 1 121291.99 116.42 123022.01 o
3 -3 1 48841.00 38.94 47070.33 o
4 -3 1 6522.18 17.98 6776.75 o
5 -3 1 32913.22 36.72 34174.52 o
6 -3 1 76945.21 96.24 73848.43 o
7 -3 1 7378.81 26.11 7113.77 o
8 -3 1 1519.44 44.62 2304.93 o
9 -3 1 4741.70 79.21 4340.56 o
10 -3 1 13535.00 113.00 12095.33 o
11 -3 1 872.61 164.87 947.95 o
-12 -2 1 219.34 127.69 215.41 o
-11 -2 1 946.79 76.74 1372.78 o
-10 -2 1 9451.73 66.42 8411.50 o
-9 -2 1 35265.08 45.29 34054.04 o
-8 -2 1 12292.16 23.04 12369.48 o
-7 -2 1 12683.26 27.77 12066.66 o
-6 -2 1 32112.64 27.46 31573.08 o
-5 -2 1 111429.12 77.62 105780.91 o
-4 -2 1 71299.68 35.52 72261.67 o
-3 -2 1 37010.06 31.36 38627.89 o
-1 -2 1 162747.70 97.42 179001.49 o
0 -2 1 429955.60 502.21 427547.98 o
1 -2 1 53121.03 44.49 54290.73 o
2 -2 1 5048.10 8.12 4981.47 o
3 -2 1 55225.00 35.05 52064.58 o
4 -2 1 175770.56 162.31 162141.92 o
5 -2 1 26935.37 34.34 26191.25 o
6 -2 1 1205.48 28.41 1320.12 o
7 -2 1 1223.60 51.27 1132.93 o
8 -2 1 79964.53 100.20 79078.57 o
9 -2 1 601.23 64.16 912.15 o
10 -2 1 832.90 122.32 1236.18 o
11 -2 1 470.02 161.29 474.67 o
12 -2 1 7045.92 284.26 6426.97 o
-13 -1 1 184.42 307.30 414.20 o
-12 -1 1 6943.89 79.57 5934.75 o
-11 -1 1 7752.80 384.94 7146.82 o
-10 -1 1 4365.24 38.32 3791.81 o
-9 -1 1 7908.54 44.89 7102.77 o
-8 -1 1 53573.73 59.60 50792.41 o
-7 -1 1 55776.27 53.58 53412.76 o
-6 -1 1 22377.17 21.16 23001.10 o
-5 -1 1 86724.36 55.50 83995.37 o
-4 -1 1 154048.40 109.62 149073.15 o
-3 -1 1 142317.56 89.11 143831.10 o
-2 -1 1 123594.43 81.90 124306.59 o
-1 -1 1 12185.95 2.59 11866.86 o
0 -1 1 145778.88 91.39 149526.83 o
1 -1 1 15545.10 5.86 14078.88 o
2 -1 1 168493.83 116.21 156311.64 o
3 -1 1 96776.99 62.73 92757.81 o
4 -1 1 29480.89 21.90 27820.45 o
5 -1 1 64587.14 44.36 64089.96 o
6 -1 1 78220.90 66.91 74951.56 o
7 -1 1 24777.91 40.32 23618.55 o
8 -1 1 18425.35 40.32 18728.96 o
9 -1 1 18736.13 64.00 17638.36 o
10 -1 1 16736.60 56.40 13740.38 o
11 -1 1 1955.41 194.32 4238.03 o
12 -1 1 201.64 477.42 607.98 o
-13 0 1 558.85 154.50 382.95 o
-12 0 1 5008.39 68.39 5491.10 o
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1 0 1 2051.18 2.34 1710.34 o
2 0 1 176685.72 115.56 162720.29 o
3 0 1 227195.22 195.16 211185.81 o
4 0 1 1677.72 41.86 2144.96 o
5 0 1 71235.61 61.47 71178.59 o
6 0 1 6983.94 24.80 7504.10 o
7 0 1 65142.35 59.44 65785.44 o
8 0 1 120.78 140.90 82.21 o
9 0 1 24015.70 47.47 21483.69 o
10 0 1 981.57 91.58 1343.93 o
11 0 1 15630.00 68.72 14515.65 o
12 0 1 63.52 540.56 1536.92 o
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0 1 1 172864.69 98.80 178284.65 o
1 1 1 11953.05 8.35 10381.61 o
2 1 1 174097.56 116.64 164620.35 o
3 1 1 100026.71 57.91 96206.36 o
4 1 1 24445.32 15.21 24345.86 o
5 1 1 55738.49 44.09 57279.36 o
6 1 1 80038.07 58.68 76170.85 o
7 1 1 26292.62 29.05 25645.18 o
8 1 1 18181.83 31.25 19815.53 o
9 1 1 19740.25 46.24 19907.46 o
10 1 1 12850.49 50.98 11795.90 o
11 1 1 3537.87 207.07 4003.56 o
12 1 1 430.98 127.92 640.57 o
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-11 2 1 859.66 130.87 1263.85 o
-10 2 1 7250.52 25.20 7674.58 o
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-5 2 1 96658.81 77.26 96206.36 o
-4 2 1 57187.94 30.80 59485.85 o
-3 2 1 36073.40 15.84 40338.72 o
-2 2 1 43819.05 30.58 45498.62 o
-1 2 1 170131.50 129.73 177954.29 o
0 2 1 394710.63 467.42 427292.11 o
1 2 1 60698.18 27.98 61474.99 o
2 2 1 3492.81 15.37 3601.46 o
3 2 1 60432.39 32.15 59072.92 o
4 2 1 167960.63 139.71 164197.16 o
5 2 1 29463.72 28.84 29431.63 o
6 2 1 1257.41 31.70 1296.53 o
7 2 1 1758.12 16.56 1932.96 o
8 2 1 70331.04 71.40 76892.67 o
9 2 1 139.95 352.31 454.99 o
10 2 1 1319.87 70.90 1348.71 o
11 2 1 408.44 195.72 471.84 o
12 2 1 7958.42 55.80 6787.49 o
-12 3 1 2964.80 178.49 2367.99 o
-11 3 1 7532.50 54.02 6938.80 o
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0 3 1 22275.56 14.29 25415.88 o
1 3 1 46237.90 29.92 49101.40 o
2 3 1 121208.42 85.38 123525.87 o
3 3 1 51533.54 35.28 50469.50 o
4 3 1 5449.39 19.62 5844.64 o
5 3 1 31673.32 37.82 32648.43 o
6 3 1 69347.96 60.53 69277.12 o
7 3 1 6472.20 17.39 6147.69 o
8 3 1 1913.19 15.21 2181.37 o
9 3 1 4337.54 18.84 3913.27 o
10 3 1 13273.34 62.88 12515.00 o
11 3 1 309.41 540.10 951.97 o
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0 4 1 29470.59 21.81 31434.14 o
1 4 1 38075.72 30.25 41393.63 o
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3 4 1 41906.18 31.02 41499.87 o
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5 4 1 31933.69 27.14 32624.86 o
6 4 1 4308.61 12.18 4514.16 o
7 4 1 15239.90 31.81 16346.13 o
8 4 1 2882.62 33.76 2509.72 o
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-5 5 1 24746.44 82.45 25854.53 o
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0 5 1 23025.03 36.72 24919.16 o
1 5 1 21517.96 26.42 21983.74 o
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7 5 1 4503.75 10.18 4817.10 o
8 5 1 2392.19 115.35 2622.06 o
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5 6 1 3108.06 14.06 3332.65 o
6 6 1 651.78 121.66 939.94 o
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1 7 1 4505.09 31.47 4323.38 o
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3 7 1 297.56 48.02 153.61 o
4 7 1 70.56 337.82 289.86 o
5 7 1 1052.35 635.54 2615.38 o
6 -6 2 8206.55 106.30 5695.99 o
7 -6 2 3213.76 156.50 3295.10 o
2 -5 2 14108.69 37.33 12224.81 o
3 -5 2 6493.14 115.13 5705.84 o
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5 -5 2 26053.19 78.50 26318.09 o
6 -5 2 13707.73 80.82 11626.49 o
7 -5 2 9360.56 149.57 7594.79 o
8 -5 2 642.62 356.83 888.66 o
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2 -4 2 15353.69 74.13 17259.24 o
3 -4 2 68465.96 92.93 68318.99 o
4 -4 2 19426.78 42.77 19105.78 o
5 -4 2 28927.21 47.47 27733.48 o
6 -4 2 3379.10 42.64 3872.57 o
7 -4 2 10807.68 67.40 9766.25 o
8 -4 2 10872.23 48.72 10514.96 o
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