#------------------------------------------------------------------------------
#$Date: 2013-08-28 13:42:33 +0300 (Wed, 28 Aug 2013) $
#$Revision: 88054 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/76/2237647.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_2237647_Fobs
loop_
_publ_author_name
'Zhu, Yi'
'Zhang, Ming-Xing'
'Yang, Shan-Shan'
'Xiao, Feng'
'Zhang, Xiao-Ping'
'Gao, Yuan-Yuan'
'Li, Bing-Jie'
'Huang, Kun-Lin'
_publ_section_title
;
 Poly[diaqua[\m~6~-4,4'-(1,4-phenylene)bis(2,6-dimethylpyridine-3,5-dicarboxylato)]dilead(II)]
;
_journal_coeditor_code           IM2422
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m232
_journal_page_last               m233
_journal_volume                  69
_journal_year                    2013
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                79.202
_cell_angle_beta                 71.683
_cell_angle_gamma                85.494
_cell_length_a                   7.2182
_cell_length_b                   9.0635
_cell_length_c                   9.9589
_exptl_crystal_F_000             422.00
_reflns_d_resolution_high        0.8403
_[local]_cod_data_source_file    im2422Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' 070419b in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            189.63
_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'
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
1 0 0 3111.05 3312.34 42.95 o
2 0 0 21787.22 21442.84 235.41 o
3 0 0 31.07 36.09 9.52 o
4 0 0 11179.10 10813.20 145.07 o
5 0 0 102.27 92.56 18.03 o
6 0 0 3386.75 3171.85 74.41 o
7 0 0 247.12 250.88 31.62 o
8 0 0 1829.16 1821.29 110.13 o
-8 1 0 283.75 292.94 64.79 o
-7 1 0 2898.62 2817.38 53.49 o
-6 1 0 2520.88 2471.94 45.49 o
-5 1 0 5846.69 6273.66 161.44 o
-4 1 0 2284.44 2211.75 114.03 o
-3 1 0 6967.44 7290.12 98.36 o
-2 1 0 5686.24 5683.26 82.70 o
-1 1 0 6394.02 6460.64 62.69 o
0 1 0 6152.30 6237.50 172.46 o
1 1 0 7164.93 6712.82 84.02 o
2 1 0 16490.21 16122.26 184.38 o
3 1 0 9220.64 9596.80 126.23 o
4 1 0 9752.59 9636.53 166.93 o
5 1 0 1683.71 1674.65 75.37 o
6 1 0 4843.11 4867.56 97.25 o
7 1 0 1215.56 1222.47 53.11 o
8 1 0 2316.24 2340.83 124.62 o
-7 2 0 3027.99 3103.62 80.83 o
-6 2 0 31.84 11.74 12.91 o
-5 2 0 6343.60 6111.77 81.58 o
-4 2 0 136.67 127.99 10.46 o
-3 2 0 16901.13 16966.74 164.19 o
-2 2 0 4.88 5.89 6.76 o
-1 2 0 9969.78 10146.84 97.49 o
0 2 0 354.08 392.14 17.36 o
1 2 0 26730.46 25474.38 227.99 o
2 2 0 1351.17 1257.14 32.15 o
3 2 0 14998.15 14273.94 212.88 o
4 2 0 1022.13 976.52 48.81 o
5 2 0 6941.44 6838.30 115.56 o
6 2 0 79.96 41.76 33.30 o
7 2 0 2672.98 2792.85 78.57 o
8 2 0 385.64 414.24 68.69 o
-7 3 0 1174.90 1318.23 54.83 o
-6 3 0 697.66 675.00 38.45 o
-5 3 0 4143.90 4068.26 103.66 o
-4 3 0 3500.87 3321.87 54.06 o
-3 3 0 8619.58 8454.13 102.68 o
-2 3 0 8222.77 8353.93 90.04 o
-1 3 0 10976.25 11413.72 112.16 o
0 3 0 14610.67 14799.20 181.70 o
1 3 0 5365.73 5146.60 69.00 o
2 3 0 6744.57 6846.14 95.66 o
3 3 0 13693.06 13686.17 174.35 o
4 3 0 1360.78 1280.32 42.99 o
5 3 0 6953.51 6901.03 118.01 o
6 3 0 76.36 48.33 20.99 o
7 3 0 2796.56 2979.30 82.25 o
-7 4 0 94.59 82.35 38.63 o
-6 4 0 1693.66 1644.17 53.84 o
-5 4 0 127.66 129.03 20.65 o
-4 4 0 4830.38 4815.24 100.02 o
-3 4 0 267.18 252.76 16.77 o
-2 4 0 11475.79 11577.86 147.76 o
-1 4 0 787.41 704.07 29.60 o
0 4 0 10310.09 10353.53 142.33 o
1 4 0 1216.57 1277.73 55.90 o
2 4 0 9080.19 8349.78 112.42 o
3 4 0 733.62 656.73 31.51 o
4 4 0 5092.21 5039.42 119.49 o
5 4 0 506.12 518.03 45.41 o
6 4 0 5143.71 5434.33 108.85 o
7 4 0 614.32 640.11 60.45 o
-7 5 0 725.68 706.28 66.88 o
-6 5 0 2639.44 2662.80 110.30 o
-5 5 0 135.48 107.69 20.04 o
-4 5 0 3341.08 3360.02 59.58 o
-3 5 0 247.18 237.45 17.58 o
-2 5 0 4694.49 4541.76 63.03 o
-1 5 0 941.06 905.75 35.74 o
0 5 0 13562.33 13741.62 322.81 o
1 5 0 1798.15 1827.83 35.33 o
2 5 0 7253.70 6921.39 98.75 o
3 5 0 1261.04 1214.85 40.55 o
4 5 0 5018.64 5118.71 137.20 o
5 5 0 713.73 776.18 58.17 o
6 5 0 3079.37 3085.20 113.08 o
7 5 0 9.36 2.59 35.76 o
-6 6 0 302.14 329.16 31.77 o
-5 6 0 4383.61 4430.82 93.60 o
-4 6 0 698.41 674.04 30.65 o
-3 6 0 3020.05 3091.20 55.58 o
-2 6 0 205.92 171.56 25.00 o
-1 6 0 5815.23 5801.62 105.60 o
0 6 0 1734.04 1665.07 52.82 o
1 6 0 2290.16 2170.57 80.67 o
2 6 0 1565.77 1488.50 68.48 o
3 6 0 4839.44 4415.52 128.39 o
4 6 0 2614.23 2596.26 99.04 o
5 6 0 1631.22 1730.78 85.18 o
6 6 0 1555.72 1537.68 85.36 o
-6 7 0 53.73 33.35 22.80 o
-5 7 0 1905.31 1835.07 56.29 o
-4 7 0 62.94 61.10 31.49 o
-3 7 0 3427.77 3665.33 113.79 o
-2 7 0 371.04 376.10 33.94 o
-1 7 0 4619.92 4625.38 98.92 o
0 7 0 266.52 301.86 39.70 o
1 7 0 6460.56 6747.61 166.59 o
2 7 0 247.14 202.24 38.28 o
3 7 0 4398.29 4567.62 138.91 o
4 7 0 75.14 66.75 32.38 o
5 7 0 2429.52 2308.38 100.50 o
6 7 0 61.44 43.33 39.99 o
-5 8 0 582.14 632.82 62.19 o
-4 8 0 2500.10 2588.41 102.66 o
-3 8 0 2730.68 2696.47 102.56 o
-2 8 0 1667.20 1623.67 77.47 o
-1 8 0 2334.69 2365.91 94.24 o
0 8 0 1749.99 1638.81 80.77 o
1 8 0 1052.88 997.96 65.10 o
2 8 0 1756.04 1686.79 83.12 o
3 8 0 1699.15 1595.71 83.86 o
4 8 0 1096.41 1241.66 79.92 o
5 8 0 774.00 812.00 68.44 o
-4 9 0 1587.08 2069.76 100.82 o
-3 9 0 4.16 -24.10 29.39 o
-2 9 0 2224.87 2088.41 96.55 o
-1 9 0 2.90 1.17 26.80 o
0 9 0 3083.71 3000.76 114.11 o
1 9 0 95.58 52.82 32.59 o
2 9 0 3025.39 2853.15 114.18 o
3 9 0 61.46 70.34 37.39 o
4 9 0 2195.58 2121.78 104.40 o
-2 10 0 1050.13 961.43 75.73 o
-1 10 0 1087.11 1098.10 79.10 o
0 10 0 1550.23 1488.10 87.17 o
1 10 0 1104.30 1050.83 77.97 o
2 10 0 1049.48 1038.01 76.86 o
-2 -10 1 714.71 742.67 69.69 o
-1 -10 1 1403.32 1326.91 87.77 o
0 -10 1 1049.90 928.73 76.30 o
1 -10 1 1317.94 1275.74 84.75 o
2 -10 1 806.00 847.68 73.74 o
-3 -9 1 0.86 -15.82 30.88 o
-2 -9 1 2443.52 2425.58 109.24 o
-1 -9 1 3.05 -12.44 33.06 o
0 -9 1 1890.89 1865.71 91.72 o
1 -9 1 193.71 185.89 44.36 o
2 -9 1 1372.86 1560.60 84.01 o
3 -9 1 30.53 13.61 35.54 o
4 -9 1 1312.93 1404.49 82.59 o
-5 -8 1 427.25 537.69 63.89 o
-4 -8 1 1437.82 1453.28 85.89 o
-3 -8 1 1252.17 1217.64 75.80 o
-2 -8 1 2263.16 2326.86 101.14 o
-1 -8 1 1308.92 1341.38 76.69 o
0 -8 1 5178.37 5263.73 149.96 o
1 -8 1 234.33 216.91 39.17 o
2 -8 1 1860.81 1806.44 85.18 o
3 -8 1 786.73 757.34 62.54 o
4 -8 1 2605.84 2834.67 108.67 o
5 -8 1 299.31 321.05 51.46 o
-5 -7 1 2003.18 2086.53 98.68 o
-4 -7 1 270.10 257.79 42.97 o
-3 -7 1 3698.79 3858.35 127.43 o
-2 -7 1 543.25 457.24 48.90 o
-1 -7 1 4555.17 4650.95 133.26 o
0 -7 1 87.59 73.68 26.48 o
1 -7 1 6877.43 7018.28 169.08 o
2 -7 1 827.78 820.42 58.10 o
3 -7 1 2961.36 2900.48 100.25 o
4 -7 1 572.76 569.36 53.62 o
5 -7 1 1137.27 1116.72 69.30 o
-6 -6 1 940.90 926.57 69.33 o
-5 -6 1 1755.52 1707.33 84.54 o
-4 -6 1 1026.04 943.80 61.30 o
-3 -6 1 4807.85 5074.93 141.75 o
-2 -6 1 364.63 401.63 43.64 o
-1 -6 1 5260.28 5390.67 138.66 o
0 -6 1 317.76 311.74 35.44 o
1 -6 1 8275.04 8529.56 183.12 o
2 -6 1 160.31 149.99 28.57 o
3 -6 1 4539.91 4419.50 118.51 o
4 -6 1 109.07 118.21 31.31 o
5 -6 1 3323.97 3209.57 72.01 o
6 -6 1 272.04 270.11 75.79 o
-6 -5 1 2618.91 2569.07 102.38 o
-5 -5 1 477.76 538.09 52.52 o
-4 -5 1 5486.85 5676.10 101.60 o
-3 -5 1 1208.10 1214.74 41.40 o
-2 -5 1 5674.58 5542.95 86.62 o
-1 -5 1 3644.92 3701.98 118.74 o
0 -5 1 7481.33 7744.46 163.04 o
1 -5 1 1808.02 1871.89 65.32 o
2 -5 1 7451.62 7629.15 159.70 o
3 -5 1 3252.15 3151.44 89.20 o
4 -5 1 3060.01 2956.56 62.19 o
5 -5 1 1529.95 1411.51 54.39 o
6 -5 1 1035.09 990.13 44.12 o
7 -5 1 1296.99 1287.54 54.28 o
-7 -4 1 104.66 78.59 27.67 o
-6 -4 1 3653.09 3866.26 121.12 o
-5 -4 1 930.69 944.02 64.02 o
-4 -4 1 8250.26 8502.38 130.48 o
-3 -4 1 1254.83 1185.49 39.26 o
-2 -4 1 10258.84 9870.38 150.35 o
-1 -4 1 2643.46 2904.95 89.83 o
0 -4 1 10636.36 11005.71 202.91 o
1 -4 1 164.55 136.31 20.22 o
2 -4 1 8574.81 8460.26 163.64 o
3 -4 1 843.38 846.35 29.31 o
4 -4 1 7437.05 7117.87 105.62 o
5 -4 1 0.86 4.59 14.27 o
6 -4 1 4839.69 4694.62 91.60 o
7 -4 1 94.13 56.40 25.10 o
-7 -3 1 2207.44 2309.23 110.30 o
-6 -3 1 1470.79 1484.69 55.31 o
-5 -3 1 1283.88 1338.31 76.44 o
-4 -3 1 1831.86 1729.70 49.94 o
-3 -3 1 5458.57 5309.68 87.64 o
-2 -3 1 3517.91 3380.51 91.77 o
-1 -3 1 10180.41 10418.87 124.70 o
0 -3 1 15719.50 16664.60 277.54 o
1 -3 1 8287.68 8517.58 154.72 o
2 -3 1 7567.16 7834.65 99.68 o
3 -3 1 8539.68 8588.14 112.55 o
4 -3 1 6146.96 5998.71 133.88 o
5 -3 1 3530.17 3417.73 96.09 o
6 -3 1 1116.08 1054.62 43.71 o
7 -3 1 1050.82 1103.39 75.51 o
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-6 -2 1 470.96 477.35 46.32 o
-5 -2 1 8043.46 8305.14 160.96 o
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-3 -2 1 13785.59 13594.21 172.54 o
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-1 -2 1 26321.95 26491.24 284.30 o
0 -2 1 558.41 598.39 25.98 o
1 -2 1 9254.37 9472.97 162.12 o
2 -2 1 27.41 28.82 7.52 o
3 -2 1 15412.72 15466.64 180.79 o
4 -2 1 655.13 700.94 20.52 o
5 -2 1 5315.58 5163.31 65.36 o
6 -2 1 53.99 54.23 14.05 o
7 -2 1 4651.86 4680.76 149.61 o
8 -2 1 184.66 191.76 34.24 o
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-6 -1 1 3019.45 3001.57 82.96 o
-5 -1 1 1378.15 1332.13 45.54 o
-4 -1 1 6783.39 6714.45 207.76 o
-3 -1 1 6257.59 6102.68 101.33 o
-2 -1 1 4644.82 4337.29 65.79 o
-1 -1 1 4020.10 3911.69 56.98 o
0 -1 1 13845.47 14493.10 228.89 o
1 -1 1 13213.85 13872.04 220.39 o
2 -1 1 9770.71 10165.86 89.46 o
3 -1 1 7438.42 7368.99 72.76 o
4 -1 1 5047.84 5129.78 59.84 o
5 -1 1 8510.28 8756.93 137.39 o
6 -1 1 2652.52 2523.48 46.67 o
7 -1 1 3150.69 3060.11 56.40 o
8 -1 1 764.27 679.71 33.96 o
-7 0 1 0.46 -30.56 33.91 o
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0 0 1 29557.05 29498.45 429.31 o
1 0 1 36.14 69.03 7.10 o
2 0 1 15682.52 15558.96 172.48 o
3 0 1 18.80 33.84 8.98 o
4 0 1 7113.52 6976.75 101.91 o
5 0 1 106.81 99.30 17.46 o
6 0 1 3493.90 3597.36 79.50 o
7 0 1 853.59 765.06 45.59 o
8 0 1 1958.70 1820.90 83.17 o
-7 1 1 1269.56 1340.77 90.58 o
-6 1 1 3049.43 3022.85 51.03 o
-5 1 1 2790.60 2773.65 108.49 o
-4 1 1 3887.78 3999.64 69.16 o
-3 1 1 9480.46 10113.85 129.43 o
-2 1 1 12583.70 12370.34 94.56 o
-1 1 1 8158.44 8179.39 78.35 o
0 1 1 18675.42 17819.53 160.27 o
1 1 1 1392.31 1427.90 20.67 o
2 1 1 15364.12 15124.52 170.43 o
3 1 1 4640.96 4706.35 71.13 o
4 1 1 7481.06 7788.32 112.86 o
5 1 1 1638.64 1657.92 48.16 o
6 1 1 3939.61 4069.78 104.97 o
7 1 1 620.98 591.61 42.32 o
8 1 1 1742.38 1798.94 68.51 o
-7 2 1 2477.87 2666.90 122.21 o
-6 2 1 29.98 5.01 19.46 o
-5 2 1 4412.16 4518.52 60.13 o
-4 2 1 379.60 405.07 43.24 o
-3 2 1 8451.17 8350.16 110.10 o
-2 2 1 1249.19 1161.06 22.15 o
-1 2 1 9107.35 9036.45 87.61 o
0 2 1 4563.10 4462.97 46.42 o
1 2 1 11641.65 11658.60 140.00 o
2 2 1 2867.57 2851.80 37.59 o
3 2 1 15070.43 15652.55 187.15 o
4 2 1 1886.04 1868.24 48.09 o
5 2 1 8490.90 8326.30 130.26 o
6 2 1 198.74 226.30 48.39 o
7 2 1 3450.01 3409.50 86.80 o
8 2 1 434.59 382.52 42.23 o
-7 3 1 2173.70 2214.35 110.52 o
-6 3 1 839.17 854.63 41.63 o
-5 3 1 5357.39 5611.97 239.67 o
-4 3 1 1139.90 1112.59 36.23 o
-3 3 1 8817.32 8627.78 96.27 o
-2 3 1 3300.91 3180.74 44.03 o
-1 3 1 11093.23 10724.19 104.97 o
0 3 1 3792.65 3939.96 44.12 o
1 3 1 3141.21 2793.54 132.80 o
2 3 1 1081.41 1014.51 22.82 o
3 3 1 7264.24 6979.91 114.51 o
4 3 1 40.93 25.25 13.93 o
5 3 1 5794.25 5788.43 104.51 o
6 3 1 11.26 -9.24 19.02 o
7 3 1 2523.76 2685.65 277.09 o
8 3 1 214.90 160.88 34.74 o
-7 4 1 270.11 216.45 49.26 o
-6 4 1 2761.03 2887.05 112.19 o
-5 4 1 470.33 470.17 31.70 o
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-3 4 1 1794.38 1708.76 46.10 o
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0 4 1 8725.97 8459.23 204.46 o
1 4 1 3185.56 2947.27 58.69 o
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3 4 1 4686.23 4464.25 94.37 o
4 4 1 2793.27 2779.80 161.49 o
5 4 1 1485.07 1436.69 50.97 o
6 4 1 3155.86 3052.55 79.35 o
7 4 1 1247.05 1121.59 72.56 o
-6 5 1 1461.26 1349.23 75.66 o
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-3 5 1 71.43 54.07 12.29 o
-2 5 1 6300.25 6336.74 78.33 o
-1 5 1 743.07 761.61 21.34 o
0 5 1 18082.75 17731.45 225.15 o
1 5 1 10.46 13.21 13.83 o
2 5 1 9412.96 9099.78 123.94 o
3 5 1 358.23 338.63 80.48 o
4 5 1 5016.90 4851.37 133.44 o
5 5 1 162.94 205.47 38.63 o
6 5 1 3199.76 3357.94 118.73 o
7 5 1 95.78 74.92 39.70 o
-6 6 1 769.59 791.00 59.70 o
-5 6 1 3084.41 3025.67 70.78 o
-4 6 1 1555.23 1495.24 41.21 o
-3 6 1 3633.50 3586.56 101.03 o
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0 6 1 4731.81 4545.42 87.97 o
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2 6 1 3453.88 3345.67 75.86 o
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5 6 1 2409.14 2302.52 95.63 o
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3 7 1 6398.27 6509.02 171.03 o
4 7 1 492.04 466.41 52.77 o
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1 8 1 1460.51 1376.64 54.89 o
2 8 1 2590.34 2460.40 98.61 o
3 8 1 2287.22 2364.28 101.49 o
4 8 1 867.65 820.42 64.36 o
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-4 9 1 1780.84 1808.25 95.45 o
-3 9 1 24.98 2.78 25.96 o
-2 9 1 2664.15 2806.90 85.02 o
-1 9 1 290.18 260.21 35.38 o
0 9 1 3349.87 3357.03 95.50 o
1 9 1 98.36 55.48 35.86 o
2 9 1 4008.14 4035.86 137.20 o
3 9 1 102.04 78.34 38.71 o
4 9 1 2630.42 2450.24 109.91 o
-2 10 1 1011.52 997.96 75.98 o
-1 10 1 844.69 868.85 72.21 o
0 10 1 1478.23 1425.31 85.71 o
1 10 1 827.09 808.48 70.65 o
2 10 1 1901.16 1895.81 100.32 o
3 10 1 519.11 613.53 68.87 o
0 -10 2 663.58 687.66 67.59 o
1 -10 2 1292.97 1250.87 86.32 o
-3 -9 2 86.52 70.51 43.04 o
-2 -9 2 1537.19 1594.00 92.54 o
-1 -9 2 49.97 93.69 38.35 o
0 -9 2 1934.23 2026.69 97.69 o
1 -9 2 655.49 582.72 61.02 o
2 -9 2 1397.43 1418.42 84.26 o
3 -9 2 361.04 393.60 54.55 o
-4 -8 2 2040.73 2115.60 103.37 o
-3 -8 2 362.44 365.98 55.01 o
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-1 -8 2 441.67 476.54 52.91 o
0 -8 2 3130.66 3049.09 111.80 o
1 -8 2 104.33 120.45 35.61 o
2 -8 2 1693.91 1672.11 81.66 o
3 -8 2 157.29 138.54 40.20 o
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5 -8 2 288.52 256.26 46.35 o
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