#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/94/2209443.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_2209443_Fobs
loop_
_publ_author_name
'Wang, Qing'
'Fang, Xiao-Niu'
_publ_section_title
;
 Bis{4-Bromo-2-[3-(methylammonio)propyliminomethyl]phenolato}zinc(II)
 dinitrate
;
_journal_coeditor_code           CI2065
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1558
_journal_page_last               m1559
_journal_volume                  62
_journal_year                    2006
_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                   22.0100
_cell_length_b                   47.4910
_cell_length_c                   5.4360
_exptl_crystal_F_000             2944.00
_reflns_d_resolution_high        0.7332
_[local]_cod_data_source_file    ci2065Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' CI2065 C22 H30 Br2 N6 O8 Zn'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            626.82
_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+3/4, -y+3/4, 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+3/4, -y+5/4, 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+5/4, -y+3/4, 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+5/4, -y+5/4, 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
7 1 -7 267.02 -444.96 2130.26 o
3 3 -7 244.08 -1825.82 1825.82 o
5 3 -7 373.12 -1916.67 1916.67 o
7 3 -7 170.27 404.78 2320.52 o
1 5 -7 118.43 -850.38 1546.98 o
3 5 -7 224.36 2213.43 2206.95 o
5 5 -7 348.04 -1899.14 1899.14 o
7 5 -7 194.44 -1839.03 1839.03 o
1 7 -7 32.71 -1526.42 1526.42 o
3 7 -7 346.32 -951.14 3391.51 o
5 7 -7 334.28 -1081.19 1734.02 o
1 9 -7 26.05 27.09 1627.15 o
3 9 -7 74.51 1016.62 1861.81 o
5 9 -7 258.93 578.39 3353.41 o
7 9 -7 330.36 2780.66 4814.82 o
1 11 -7 115.63 254.50 1694.99 o
3 11 -7 349.58 1712.28 2974.05 o
5 11 -7 275.41 1586.21 3554.23 o
2 0 -6 1757.97 3897.12 3010.61 o
6 0 -6 1271.68 3854.65 1896.70 o
10 0 -6 673.60 710.10 1684.22 o
14 0 -6 96.66 450.69 1355.59 o
0 2 -6 721.06 797.61 973.22 o
2 2 -6 353.36 1341.12 889.17 o
4 2 -6 3013.05 3896.57 1140.06 o
6 2 -6 328.19 -140.98 2005.88 o
8 2 -6 41.65 1500.90 1115.50 o
10 2 -6 258.07 -558.22 1119.21 o
12 2 -6 630.25 1293.93 943.66 o
14 2 -6 41.88 477.14 990.23 o
16 2 -6 228.43 -432.27 1346.85 o
2 4 -6 1788.15 2476.68 1029.10 o
4 4 -6 725.03 -314.46 868.59 o
6 4 -6 687.22 -331.48 1036.84 o
8 4 -6 56.34 -851.59 1030.66 o
10 4 -6 521.90 1988.95 1102.07 o
12 4 -6 260.90 146.55 971.37 o
14 4 -6 409.04 1215.66 1385.95 o
16 4 -6 241.06 -89.28 1261.69 o
0 6 -6 1064.83 855.85 1533.79 o
2 6 -6 131.52 -785.97 1205.58 o
4 6 -6 2400.87 3634.09 1530.50 o
6 6 -6 1011.19 906.35 1764.41 o
8 6 -6 105.07 1403.37 2219.40 o
10 6 -6 30.87 747.47 1116.81 o
12 6 -6 947.82 269.02 1136.81 o
14 6 -6 81.65 779.43 1098.33 o
16 6 -6 608.35 -1273.60 1273.60 o
2 8 -6 1546.81 238.23 1224.85 o
4 8 -6 60.22 -1109.04 1109.04 o
6 8 -6 332.89 1403.00 1781.93 o
8 8 -6 138.26 83.22 1742.15 o
10 8 -6 912.19 941.57 2146.88 o
12 8 -6 91.79 1339.03 1304.15 o
14 8 -6 1061.02 646.93 1083.49 o
16 8 -6 43.45 309.56 1367.72 o
0 10 -6 791.38 2499.26 2162.96 o
2 10 -6 245.05 592.34 1357.48 o
4 10 -6 1336.78 530.38 1363.63 o
6 10 -6 468.38 1678.14 1960.59 o
8 10 -6 1043.00 1070.97 2124.43 o
10 10 -6 88.72 2792.18 2258.23 o
12 10 -6 578.75 3299.48 2708.64 o
14 10 -6 67.11 -17.44 2241.83 o
16 10 -6 691.79 -1644.09 1874.25 o
2 12 -6 1249.26 3371.63 1521.10 o
4 12 -6 56.40 475.98 1325.41 o
6 12 -6 1167.91 3710.66 11263.35 o
8 12 -6 550.68 -1723.26 2022.89 o
10 12 -6 1057.66 4410.53 2578.72 o
12 12 -6 249.59 1019.79 2656.82 o
16 12 -6 23.20 2510.35 2697.17 o
0 14 -6 1151.98 4241.87 2505.78 o
2 14 -6 153.53 841.67 1537.41 o
4 14 -6 1016.96 10.14 1370.36 o
6 14 -6 70.74 2782.46 3462.91 o
8 14 -6 887.93 879.67 2500.98 o
10 14 -6 40.41 897.24 2632.77 o
12 14 -6 792.40 -294.17 2461.54 o
16 14 -6 632.58 -1356.61 2249.67 o
2 16 -6 1618.34 3814.07 1787.83 o
4 16 -6 183.30 -653.56 1421.39 o
6 16 -6 809.83 4577.08 2473.38 o
8 16 -6 157.78 -1077.04 2452.96 o
10 16 -6 715.89 2257.65 2959.67 o
12 16 -6 81.23 251.60 2670.74 o
0 18 -6 887.20 -309.43 2338.36 o
2 18 -6 131.26 214.88 1579.36 o
4 18 -6 182.95 694.44 1825.94 o
6 18 -6 154.90 693.24 1957.38 o
8 18 -6 1139.05 1624.52 2863.72 o
10 18 -6 71.14 -251.27 2785.67 o
2 20 -6 323.21 2629.18 2037.31 o
4 20 -6 153.36 1338.17 1873.05 o
6 20 -6 551.98 874.66 4294.69 o
8 20 -6 147.41 431.95 2037.95 o
10 20 -6 255.55 -1672.98 2681.44 o
0 22 -6 47.47 -2472.13 5151.77 o
2 22 -6 254.93 437.23 2458.36 o
4 22 -6 677.85 -701.77 1750.15 o
6 22 -6 140.71 987.61 2156.56 o
8 22 -6 414.76 -883.38 1908.77 o
2 24 -6 59.78 -1073.81 2281.37 o
4 24 -6 293.00 398.49 2799.30 o
6 24 -6 207.84 -2072.30 2072.30 o
8 24 -6 6.88 -1524.40 2016.08 o
0 26 -6 609.28 3379.50 2796.35 o
2 26 -6 34.59 -113.51 1729.76 o
4 26 -6 733.64 937.72 1813.52 o
6 26 -6 21.09 2513.92 2160.29 o
8 26 -6 391.78 -1451.94 2746.80 o
2 28 -6 356.46 3619.61 1904.40 o
4 28 -6 54.81 -1322.48 1744.71 o
6 28 -6 288.62 -49.23 2875.49 o
8 28 -6 71.36 2019.87 3005.85 o
0 30 -6 477.44 626.64 2523.21 o
2 30 -6 87.20 586.74 3885.34 o
4 30 -6 1236.00 5844.01 3818.88 o
6 30 -6 36.49 1874.76 3380.40 o
8 30 -6 208.36 159.00 2923.24 o
1 1 -5 4769.31 4606.74 900.10 o
3 1 -5 3044.07 4401.03 842.67 o
5 1 -5 884.19 1148.33 761.20 o
7 1 -5 6356.06 6393.85 2704.69 o
9 1 -5 186.22 696.62 726.38 o
11 1 -5 1708.16 1630.20 907.82 o
13 1 -5 1393.72 351.57 751.90 o
15 1 -5 959.47 -306.17 945.88 o
17 1 -5 1595.70 1346.59 958.12 o
19 1 -5 353.02 696.12 994.84 o
1 3 -5 4094.10 4412.64 937.93 o
3 3 -5 8098.73 9150.09 1433.99 o
5 3 -5 1962.36 2487.95 942.53 o
7 3 -5 143.21 103.46 1440.25 o
9 3 -5 89.12 -7.66 778.07 o
11 3 -5 1669.41 866.91 785.34 o
13 3 -5 776.77 1408.96 824.22 o
15 3 -5 624.73 342.23 807.30 o
17 3 -5 1770.49 1291.88 999.03 o
19 3 -5 209.07 1744.28 998.04 o
1 5 -5 3217.90 2606.78 757.87 o
3 5 -5 2121.99 2363.92 776.96 o
5 5 -5 1219.45 2807.89 1099.31 o
7 5 -5 3354.38 4276.97 1897.86 o
9 5 -5 1357.46 1040.95 831.64 o
11 5 -5 1315.23 2340.94 992.15 o
13 5 -5 1731.29 1903.98 881.53 o
15 5 -5 418.36 1397.17 823.18 o
17 5 -5 410.92 1605.85 942.58 o
19 5 -5 554.33 912.41 1145.55 o
1 7 -5 4919.53 5673.38 937.34 o
3 7 -5 671.69 147.40 600.71 o
5 7 -5 1828.02 2293.02 1449.41 o
7 7 -5 104.38 -84.17 700.80 o
9 7 -5 1055.64 427.65 789.44 o
11 7 -5 488.23 695.81 853.49 o
13 7 -5 1930.02 1109.97 975.12 o
15 7 -5 490.28 1469.43 883.74 o
17 7 -5 184.97 1157.05 907.99 o
19 7 -5 587.22 772.08 941.74 o
1 9 -5 7568.44 8391.34 1452.66 o
3 9 -5 265.35 45.81 827.31 o
5 9 -5 3476.95 3424.64 1880.27 o
7 9 -5 135.56 193.27 698.55 o
9 9 -5 2634.70 1598.28 1009.74 o
11 9 -5 6.97 993.82 864.59 o
13 9 -5 125.34 817.19 929.91 o
15 9 -5 741.80 2218.87 1007.63 o
17 9 -5 299.34 1883.65 938.88 o
19 9 -5 818.95 -873.14 873.14 o
1 11 -5 523.60 -200.94 1126.71 o
3 11 -5 1543.84 2595.23 1905.24 o
5 11 -5 257.57 545.57 770.17 o
7 11 -5 653.26 661.31 857.40 o
9 11 -5 2151.47 2515.23 973.03 o
11 11 -5 1751.64 3488.34 1059.44 o
13 11 -5 1884.16 808.76 973.00 o
15 11 -5 819.15 277.75 944.07 o
17 11 -5 238.19 445.43 1027.17 o
19 11 -5 405.84 -173.78 1146.65 o
1 13 -5 5583.81 7042.32 1858.32 o
3 13 -5 18.24 724.32 1624.13 o
5 13 -5 1400.77 2611.37 1503.43 o
7 13 -5 498.95 35.56 1184.78 o
9 13 -5 230.16 -545.34 689.41 o
11 13 -5 818.42 1462.50 1072.81 o
13 13 -5 1483.45 763.73 976.61 o
15 13 -5 546.92 -32.67 944.93 o
17 13 -5 598.01 -462.13 933.84 o
19 13 -5 388.18 -1076.83 1328.96 o
1 15 -5 1321.61 650.10 1286.77 o
3 15 -5 207.70 167.28 1431.08 o
5 15 -5 374.58 -610.88 1226.59 o
7 15 -5 2360.41 1665.78 1321.80 o
9 15 -5 499.36 -810.96 810.96 o
11 15 -5 2417.00 2364.53 1900.64 o
13 15 -5 1037.65 875.80 1458.73 o
15 15 -5 1023.33 1654.55 1548.38 o
17 15 -5 634.00 728.55 1066.65 o
19 15 -5 162.07 1276.59 1336.55 o
1 17 -5 1127.28 935.73 1433.91 o
3 17 -5 1658.05 2147.88 1749.21 o
5 17 -5 492.37 -1009.77 2636.74 o
7 17 -5 2551.56 3082.49 1394.01 o
9 17 -5 809.10 323.61 1241.74 o
11 17 -5 1712.47 651.91 2094.22 o
13 17 -5 657.57 919.36 2852.40 o
15 17 -5 1354.01 731.94 1679.41 o
17 17 -5 1268.08 -617.17 1436.18 o
19 17 -5 24.19 1187.99 2610.08 o
1 19 -5 1657.97 74.89 1307.90 o
3 19 -5 807.15 3284.99 1565.71 o
5 19 -5 478.30 -1094.71 1094.71 o
7 19 -5 2264.47 1725.46 1313.27 o
9 19 -5 592.37 -395.99 1130.83 o
11 19 -5 207.12 -1215.99 1215.99 o
13 19 -5 733.36 933.43 1454.13 o
15 19 -5 233.84 -655.50 1275.48 o
17 19 -5 1251.49 -524.95 1794.11 o
19 19 -5 280.83 1273.70 2666.57 o
1 21 -5 2726.33 2188.25 1877.34 o
3 21 -5 569.45 768.69 1357.08 o
5 21 -5 1939.94 480.33 1202.03 o
7 21 -5 2170.56 2541.28 1378.00 o
9 21 -5 730.41 3217.75 2149.75 o
11 21 -5 1762.20 2413.05 1137.38 o
13 21 -5 660.20 229.05 1508.29 o
15 21 -5 481.37 61.52 1558.77 o
17 21 -5 513.91 -1417.09 2654.08 o
19 21 -5 3.99 -621.35 3100.25 o
1 23 -5 1074.42 1037.04 1099.41 o
3 23 -5 857.77 2223.94 1325.64 o
5 23 -5 2129.00 3152.55 2081.91 o
7 23 -5 1454.67 1419.38 1228.87 o
9 23 -5 1440.12 2881.38 1326.64 o
11 23 -5 559.64 455.18 1216.20 o
13 23 -5 849.59 782.25 1601.40 o
15 23 -5 478.26 3812.38 1797.57 o
17 23 -5 270.72 1005.87 3268.60 o
1 25 -5 2104.47 429.39 996.94 o
3 25 -5 914.08 71.99 1073.80 o
5 25 -5 2162.98 6023.37 1420.47 o
7 25 -5 386.83 -726.29 1165.25 o
9 25 -5 1066.82 1499.08 1323.96 o
11 25 -5 40.67 -1128.06 1128.06 o
13 25 -5 96.26 -588.22 1623.98 o
15 25 -5 272.24 318.40 1654.73 o
17 25 -5 62.57 1073.72 3404.43 o
1 27 -5 701.65 865.20 984.99 o
3 27 -5 83.28 -329.22 1089.63 o
5 27 -5 2524.04 3883.22 1247.02 o
7 27 -5 489.88 -294.52 1490.38 o
9 27 -5 629.50 1128.17 1795.30 o
11 27 -5 530.33 1467.26 1415.81 o
13 27 -5 319.59 2444.35 1912.43 o
15 27 -5 710.76 -1273.45 3161.44 o
17 27 -5 288.36 1515.30 3794.88 o
1 29 -5 1944.03 2008.89 1134.20 o
3 29 -5 293.57 1700.59 1129.09 o
5 29 -5 582.66 1206.77 1174.06 o
7 29 -5 979.43 1171.94 1122.54 o
9 29 -5 46.23 -279.34 979.26 o
11 29 -5 124.43 815.86 2005.06 o
13 29 -5 295.31 1337.85 2176.95 o
15 29 -5 301.34 -3217.82 3217.82 o
17 29 -5 526.91 1219.17 3820.77 o
1 31 -5 209.72 30.06 937.33 o
3 31 -5 1038.41 3418.72 1305.26 o
5 31 -5 473.85 121.72 2206.62 o
7 31 -5 184.63 -60.19 1113.98 o
9 31 -5 427.99 2190.30 1202.35 o
11 31 -5 543.10 -234.43 1117.19 o
13 31 -5 29.56 -2143.23 2596.81 o
15 31 -5 18.34 607.43 3709.33 o
1 33 -5 153.66 318.03 955.08 o
3 33 -5 124.16 1831.07 2590.78 o
5 33 -5 131.80 -174.97 1138.35 o
7 33 -5 586.84 1734.83 1210.50 o
9 33 -5 242.40 -926.28 1069.14 o
11 33 -5 888.45 -525.06 1114.82 o
13 33 -5 341.61 -2124.55 2124.55 o
15 33 -5 120.88 -3703.44 3703.44 o
1 35 -5 370.70 2817.12 1158.13 o
3 35 -5 728.92 1651.44 1236.46 o
5 35 -5 178.56 -473.39 1114.13 o
7 35 -5 146.15 -2.67 1144.97 o
9 35 -5 25.54 470.72 1097.83 o
11 35 -5 211.84 -1383.18 1383.18 o
13 35 -5 65.29 253.86 2503.30 o
1 37 -5 404.98 2246.94 1128.89 o
3 37 -5 58.72 994.80 1931.42 o
5 37 -5 440.53 -152.94 1159.31 o
7 37 -5 173.44 795.14 1188.27 o
9 37 -5 366.96 1516.30 1193.67 o
11 37 -5 58.63 -513.87 2185.32 o
1 39 -5 117.31 -105.26 1021.61 o
3 39 -5 223.40 1033.66 1235.64 o
5 39 -5 487.57 1984.43 1204.05 o
7 39 -5 46.80 515.38 1163.69 o
1 41 -5 655.51 1138.37 1219.37 o
3 41 -5 93.51 1022.51 1080.83 o
5 41 -5 293.31 4410.88 2308.75 o
1 43 -5 87.88 4600.63 2171.12 o
0 0 -4 5184.22 7460.08 2151.41 o
4 0 -4 501.83 701.39 816.40 o
8 0 -4 12226.87 10307.09 1904.78 o
12 0 -4 10259.49 5104.74 4374.46 o
16 0 -4 8696.56 5605.30 3308.34 o
20 0 -4 909.10 665.99 1630.92 o
2 2 -4 18310.72 16360.84 2378.68 o
4 2 -4 5467.19 5723.51 1198.15 o
6 2 -4 4613.40 2665.81 885.46 o
8 2 -4 2357.33 1586.45 724.06 o
10 2 -4 775.22 481.67 655.90 o
12 2 -4 1630.64 1123.14 699.39 o
14 2 -4 1031.22 1118.30 721.15 o
16 2 -4 404.31 359.54 754.57 o
18 2 -4 1983.30 1485.70 886.41 o
20 2 -4 1018.36 1098.81 901.49 o
22 2 -4 946.27 1630.07 1009.98 o
0 4 -4 338.09 756.24 696.78 o
2 4 -4 3127.64 2002.42 652.86 o
4 4 -4 13822.25 11430.37 2380.48 o
6 4 -4 11139.38 8909.77 1541.27 o
8 4 -4 6075.60 4159.53 848.86 o
10 4 -4 5247.20 3556.91 1019.59 o
12 4 -4 2044.72 1677.19 772.71 o
14 4 -4 1026.94 596.22 697.98 o
16 4 -4 3656.51 2810.40 955.09 o
18 4 -4 2618.36 720.19 941.07 o
20 4 -4 910.87 973.29 876.48 o
22 4 -4 902.43 -869.60 869.60 o
2 6 -4 1033.74 1050.29 511.03 o
4 6 -4 3247.66 2419.39 690.78 o
6 6 -4 7168.75 8366.09 1172.56 o
8 6 -4 1467.05 1266.76 602.61 o
10 6 -4 13188.75 10425.89 1855.82 o
12 6 -4 958.34 -260.86 1138.15 o
14 6 -4 7551.28 4493.07 1226.01 o
16 6 -4 714.28 499.69 723.82 o
18 6 -4 2343.67 1752.51 860.63 o
20 6 -4 903.45 687.04 842.67 o
22 6 -4 730.16 -581.89 841.52 o
0 8 -4 70745.70 76737.90 9969.87 o
2 8 -4 961.78 100.65 457.88 o
4 8 -4 11113.76 11258.52 1640.78 o
6 8 -4 92.89 179.79 515.96 o
8 8 -4 3424.61 2559.19 767.45 o
10 8 -4 2510.13 3150.66 768.86 o
12 8 -4 640.90 797.81 782.56 o
14 8 -4 645.52 695.47 782.22 o
16 8 -4 757.44 722.32 883.03 o
18 8 -4 99.67 54.58 768.14 o
20 8 -4 1346.22 138.06 852.46 o
22 8 -4 69.40 1129.14 930.58 o
2 10 -4 4202.01 4173.48 760.41 o
4 10 -4 1671.12 1691.83 704.06 o
6 10 -4 2464.95 2676.09 688.45 o
8 10 -4 1084.17 558.02 549.06 o
10 10 -4 23573.07 20794.09 2391.49 o
12 10 -4 3.31 564.55 732.81 o
14 10 -4 5387.32 4194.28 1519.59 o
16 10 -4 709.33 1748.80 925.32 o
18 10 -4 1308.43 1361.87 952.88 o
20 10 -4 291.92 58.78 796.59 o
22 10 -4 363.39 398.23 812.65 o
0 12 -4 21600.49 18512.28 2662.77 o
2 12 -4 2679.17 1921.32 956.86 o
4 12 -4 6371.06 6432.47 983.89 o
6 12 -4 4270.48 4604.43 821.24 o
8 12 -4 4422.05 3591.02 767.06 o
10 12 -4 4488.52 3926.84 876.72 o
12 12 -4 3460.73 2712.30 995.64 o
14 12 -4 933.09 799.39 849.62 o
16 12 -4 3688.31 1572.82 991.80 o
18 12 -4 1172.83 586.86 890.64 o
20 12 -4 793.76 293.42 798.67 o
22 12 -4 753.36 1108.81 884.01 o
2 14 -4 17000.44 17653.79 2600.69 o
4 14 -4 3441.09 4859.47 801.93 o
6 14 -4 6973.72 6637.35 1000.35 o
8 14 -4 3194.30 2789.12 726.49 o
10 14 -4 3405.43 2727.75 747.58 o
12 14 -4 456.36 -638.18 742.82 o
14 14 -4 349.84 1210.31 776.78 o
16 14 -4 889.89 1884.27 865.54 o
18 14 -4 943.69 978.12 896.35 o
20 14 -4 764.81 294.44 954.08 o
22 14 -4 1183.97 1413.91 1070.52 o
2 16 -4 1347.35 1907.74 1112.28 o
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