#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/48/2224819.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_2224819_Fobs
loop_
_publ_author_name
'Qin, Yan-Tao'
'Tao, Lu'
'He, Tian-Jing'
'Liu, Yan-Cheng'
'Chen, Zhen-Feng'
_publ_section_title
;
 <i>catena</i>-Poly[[(liriodenine-\k^2^<i>N</i>,<i>O</i>)lead(II)]-di-\m-chlorido]
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m29
_journal_volume                  66
_journal_year                    2010
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                104.481
_cell_angle_beta                 100.479
_cell_angle_gamma                99.686
_cell_length_a                   7.2280
_cell_length_b                   10.3318
_cell_length_c                   11.3065
_exptl_crystal_F_000             516.00
_reflns_d_resolution_high        0.8300
_[local]_cod_data_source_file    ya2112Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '  _qyt-02'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            249.79
_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
2 0 0 62394.25 52720.53 21713.60 o
3 0 0 7812.38 7300.59 134.04 o
4 0 0 3231.35 3142.67 145.24 o
5 0 0 3188.28 3101.14 92.19 o
6 0 0 14.67 45.32 31.05 o
7 0 0 326.72 334.79 49.09 o
8 0 0 407.89 350.02 70.72 o
-8 1 0 279.95 302.87 53.40 o
-7 1 0 1158.66 1064.63 89.19 o
-6 1 0 250.70 194.83 44.17 o
-5 1 0 3707.76 3702.36 122.61 o
-4 1 0 4702.16 4498.81 106.42 o
-3 1 0 2003.52 1785.36 57.41 o
-2 1 0 5344.23 4854.89 100.09 o
-1 1 0 1415.26 1258.92 28.44 o
1 1 0 5911.13 5812.47 79.67 o
2 1 0 1765.07 1780.13 46.97 o
3 1 0 14021.03 13783.53 189.95 o
4 1 0 8965.99 9171.46 141.55 o
5 1 0 4008.62 3890.81 98.82 o
6 1 0 3303.30 3096.29 127.84 o
7 1 0 72.62 33.14 24.58 o
8 1 0 959.36 826.05 168.95 o
-8 2 0 34.03 -15.10 52.92 o
-7 2 0 1247.50 1342.83 105.45 o
-6 2 0 1021.82 952.86 80.15 o
-5 2 0 2854.22 2818.10 96.48 o
-4 2 0 11595.36 11189.12 169.63 o
-3 2 0 247.87 234.60 30.73 o
-2 2 0 8793.19 7872.86 105.95 o
-1 2 0 6641.89 6536.90 88.71 o
0 2 0 4858.10 4740.01 66.12 o
1 2 0 2653.77 2590.10 49.61 o
2 2 0 36.33 46.67 12.29 o
3 2 0 4381.67 4546.19 119.98 o
4 2 0 2023.70 1874.23 70.73 o
5 2 0 1568.52 1450.60 60.30 o
6 2 0 782.26 718.10 52.75 o
7 2 0 64.39 61.55 25.71 o
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-7 3 0 773.18 771.82 117.87 o
-6 3 0 1375.12 1269.85 93.34 o
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-2 3 0 6283.16 5869.41 95.32 o
-1 3 0 20491.84 19889.70 207.53 o
0 3 0 54.33 80.33 17.28 o
1 3 0 11058.87 10806.99 236.16 o
2 3 0 2145.31 2178.67 52.92 o
3 3 0 1662.52 1661.58 51.80 o
4 3 0 3342.40 3235.33 78.24 o
5 3 0 436.12 434.09 41.88 o
6 3 0 995.21 983.11 55.77 o
7 3 0 126.87 42.71 69.82 o
-8 4 0 338.17 262.60 104.90 o
-7 4 0 67.04 71.39 41.50 o
-6 4 0 2159.90 2183.69 116.90 o
-5 4 0 1138.89 1056.98 66.22 o
-4 4 0 6067.98 5888.56 122.93 o
-3 4 0 4355.46 4451.42 108.20 o
-2 4 0 2948.62 3031.23 77.74 o
-1 4 0 24168.20 23726.07 294.95 o
0 4 0 102.45 86.38 16.98 o
1 4 0 17192.37 17392.31 228.57 o
2 4 0 5009.30 5088.55 103.57 o
3 4 0 355.74 391.17 32.38 o
4 4 0 4236.92 4426.24 140.94 o
5 4 0 48.05 42.33 17.05 o
6 4 0 434.71 406.70 55.18 o
7 4 0 239.56 173.56 95.04 o
-8 5 0 818.54 969.33 133.01 o
-7 5 0 2.15 -36.61 80.79 o
-6 5 0 2805.51 2893.04 192.19 o
-5 5 0 2625.85 2615.73 106.03 o
-4 5 0 2447.76 2352.57 88.09 o
-3 5 0 2790.37 2667.75 84.34 o
-2 5 0 626.65 667.83 44.30 o
-1 5 0 2075.63 1952.38 69.42 o
0 5 0 5899.98 6009.05 139.59 o
1 5 0 1252.78 1272.63 48.63 o
2 5 0 8733.23 9103.20 137.53 o
3 5 0 1097.18 1100.82 48.08 o
4 5 0 5337.95 5848.76 297.67 o
5 5 0 1642.54 1734.63 186.80 o
6 5 0 270.04 173.46 93.43 o
-8 6 0 614.46 635.64 123.71 o
-7 6 0 112.63 105.54 47.23 o
-6 6 0 1008.93 973.06 107.15 o
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-4 6 0 174.58 157.25 35.32 o
-3 6 0 4967.57 4953.29 113.31 o
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-1 6 0 1587.29 1584.56 64.12 o
0 6 0 8951.72 8949.15 168.69 o
1 6 0 367.60 414.59 37.15 o
2 6 0 2151.27 2038.22 100.15 o
3 6 0 416.57 479.27 49.54 o
4 6 0 713.75 651.18 51.03 o
5 6 0 583.62 737.07 93.55 o
6 6 0 28.12 20.54 87.81 o
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-5 7 0 2286.63 2197.82 172.18 o
-4 7 0 139.28 206.30 52.90 o
-3 7 0 3649.34 3572.19 111.21 o
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0 7 0 11457.56 11973.13 201.17 o
1 7 0 352.91 352.96 36.40 o
2 7 0 1362.66 1396.78 75.35 o
3 7 0 1774.76 2078.48 164.87 o
4 7 0 69.30 54.02 21.44 o
5 7 0 700.20 727.59 150.65 o
-7 8 0 824.02 972.09 135.65 o
-6 8 0 269.55 269.44 82.67 o
-5 8 0 1959.00 1886.31 200.86 o
-4 8 0 2032.65 2099.20 156.98 o
-3 8 0 1233.61 1272.29 102.28 o
-2 8 0 4546.17 4734.07 268.74 o
-1 8 0 14.01 52.96 27.99 o
0 8 0 6051.29 6400.91 218.39 o
1 8 0 1266.30 1314.36 127.28 o
2 8 0 256.10 143.11 79.63 o
3 8 0 2505.02 2864.05 275.43 o
4 8 0 277.63 241.33 119.89 o
-6 9 0 839.09 774.34 120.35 o
-5 9 0 1049.47 1006.52 126.81 o
-4 9 0 3877.47 3994.53 249.93 o
-3 9 0 1.44 46.01 31.84 o
-2 9 0 2681.48 2616.42 166.48 o
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0 9 0 1147.79 1167.69 81.89 o
1 9 0 1426.69 1375.36 92.13 o
2 9 0 4.02 -16.84 26.13 o
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4 9 0 456.63 366.20 112.91 o
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-3 10 0 437.26 364.47 121.57 o
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-1 10 0 3702.78 3696.40 192.98 o
0 10 0 86.84 113.85 56.43 o
1 10 0 1718.64 1642.75 238.98 o
2 10 0 736.46 739.50 85.45 o
3 10 0 447.92 357.79 137.54 o
-5 11 0 160.73 131.38 98.54 o
-4 11 0 1019.53 1284.68 130.97 o
-3 11 0 942.19 1040.82 111.78 o
-2 11 0 141.43 129.94 51.71 o
-1 11 0 2739.26 2726.79 160.47 o
0 11 0 271.19 219.64 37.85 o
1 11 0 765.33 646.53 100.15 o
-2 12 0 78.52 36.00 106.24 o
1 -12 1 1409.27 1636.19 240.33 o
2 -12 1 276.45 219.98 64.95 o
3 -12 1 638.50 717.28 134.68 o
-2 -11 1 273.80 228.15 74.57 o
-1 -11 1 1543.73 1640.86 133.90 o
0 -11 1 49.40 87.06 45.42 o
1 -11 1 1793.36 1802.65 136.86 o
2 -11 1 1576.55 1575.48 127.93 o
3 -11 1 54.20 -47.20 50.49 o
4 -11 1 1743.27 1833.70 183.93 o
5 -11 1 106.40 126.91 60.26 o
-3 -10 1 606.20 739.64 181.92 o
-2 -10 1 69.25 59.92 37.33 o
-1 -10 1 1432.18 1497.91 125.63 o
0 -10 1 920.25 748.66 75.22 o
1 -10 1 1335.25 1357.16 192.37 o
2 -10 1 2830.34 2644.67 219.60 o
3 -10 1 50.46 146.02 51.69 o
4 -10 1 2546.42 2697.79 163.10 o
5 -10 1 838.41 790.84 115.74 o
6 -10 1 166.44 28.18 67.79 o
-4 -9 1 45.46 72.41 58.33 o
-3 -9 1 1195.70 1391.28 190.22 o
-2 -9 1 1296.51 1250.23 87.43 o
-1 -9 1 792.39 769.36 66.50 o
0 -9 1 3582.28 3616.11 157.74 o
1 -9 1 177.12 172.14 42.12 o
2 -9 1 2195.99 1953.97 171.64 o
3 -9 1 384.54 365.44 64.32 o
4 -9 1 1385.31 1575.42 140.73 o
5 -9 1 1095.49 1019.32 121.15 o
6 -9 1 0.28 -52.80 60.79 o
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-3 -8 1 1674.65 1761.51 183.02 o
-2 -8 1 2573.55 2484.66 197.94 o
-1 -8 1 638.84 621.24 56.88 o
0 -8 1 6898.20 7057.75 161.96 o
1 -8 1 262.41 286.62 35.91 o
2 -8 1 1112.27 1075.58 68.48 o
3 -8 1 2755.03 2923.45 180.15 o
4 -8 1 74.20 33.80 48.83 o
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0 -7 1 6787.96 6823.81 149.62 o
1 -7 1 1930.17 1922.48 75.12 o
2 -7 1 273.52 331.14 39.93 o
3 -7 1 7672.73 7730.67 162.40 o
4 -7 1 888.05 852.52 65.50 o
5 -7 1 2390.85 2558.83 180.24 o
6 -7 1 946.96 1030.74 123.31 o
7 -7 1 107.56 99.21 116.96 o
-6 -6 1 414.85 512.06 157.12 o
-5 -6 1 1153.12 1236.95 174.07 o
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-3 -6 1 10.07 21.92 15.15 o
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-1 -6 1 2725.24 2763.68 74.70 o
0 -6 1 1748.00 1639.56 61.82 o
1 -6 1 5651.34 5822.16 147.73 o
2 -6 1 35.52 51.77 22.17 o
3 -6 1 10171.67 10575.80 177.52 o
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3 -1 1 10026.75 9745.77 217.95 o
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1 0 1 20275.20 18632.61 290.08 o
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