#------------------------------------------------------------------------------
#$Date: 2016-04-03 01:54:19 +0300 (Sun, 03 Apr 2016) $
#$Revision: 181116 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/96/2219652.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_2219652_Fobs
loop_
_publ_author_name
'Wang, Yuanlan'
'Wang, Chongchen'
_publ_section_title
;
Poly[diaqua(\m~2~-oxalato-\k^4^O^1^,O^2^:O^1'^,O^2'^)(\m~2~-pyrazine-2-carboxylato-\k^3^N^1^,O:O')cerium(III)]
;
_journal_coeditor_code LH2687
_journal_issue 10
_journal_name_full 'Acta Crystallographica Section E'
_journal_page_first m1282
_journal_page_last m1283
_journal_volume 64
_journal_year 2008
_space_group_IT_number 2
_symmetry_space_group_name_Hall '-P 1'
_symmetry_space_group_name_H-M 'P -1'
_cell_angle_alpha 115.514
_cell_angle_beta 101.747
_cell_angle_gamma 95.999
_cell_length_a 8.0298
_cell_length_b 8.7161
_cell_length_c 8.8201
_exptl_crystal_F_000 370.00
_reflns_d_resolution_high 0.8407
_cod_data_source_file lh2687Isup2.hkl
_cod_data_source_block I
#BEGIN Tags that were not found in dictionaries:
_shelx_title ' 080816d in P-1'
_shelx_refln_list_code 4
_shelx_f_calc_maximum 136.49
_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 5499.92 4948.82 93.75 o
2 0 0 1110.00 1129.81 17.39 o
3 0 0 5985.19 5779.91 75.59 o
4 0 0 1199.22 1176.47 36.83 o
5 0 0 8.04 2.02 5.69 o
6 0 0 2445.77 2398.65 67.95 o
7 0 0 1161.34 1169.04 45.39 o
8 0 0 370.59 335.45 24.73 o
9 0 0 1031.41 1025.18 47.36 o
-9 1 0 1373.44 1346.17 55.18 o
-8 1 0 357.70 335.42 24.62 o
-7 1 0 637.48 631.21 31.93 o
-6 1 0 3593.92 3563.45 89.51 o
-5 1 0 1208.97 1098.34 22.20 o
-4 1 0 631.72 670.66 14.49 o
-3 1 0 5590.88 5347.73 79.10 o
-2 1 0 4376.14 4254.27 68.87 o
-1 1 0 149.21 181.57 4.72 o
0 1 0 8372.19 7805.06 235.80 o
1 1 0 12809.69 11077.55 141.97 o
2 1 0 499.71 537.09 13.00 o
3 1 0 7146.82 7197.49 142.35 o
4 1 0 7582.88 7416.34 150.68 o
5 1 0 1439.23 1513.30 47.21 o
6 1 0 1926.54 1954.00 59.58 o
7 1 0 2875.26 2888.55 81.17 o
8 1 0 240.10 220.03 13.22 o
-9 2 0 1155.61 1132.93 50.06 o
-8 2 0 1432.42 1445.46 54.73 o
-7 2 0 194.04 179.20 17.00 o
-6 2 0 1429.43 1411.81 47.61 o
-5 2 0 3978.16 3910.19 57.96 o
-4 2 0 7.40 37.54 13.59 o
-3 2 0 8836.00 8589.44 110.23 o
-2 2 0 8100.84 7967.29 101.44 o
-1 2 0 3032.66 3217.19 70.27 o
0 2 0 3494.43 3694.16 67.98 o
1 2 0 1522.51 1479.17 21.32 o
2 2 0 5814.17 5839.02 75.46 o
3 2 0 676.99 653.50 12.14 o
4 2 0 3655.67 3670.11 84.62 o
5 2 0 2135.02 2126.93 59.56 o
6 2 0 75.88 76.76 13.74 o
7 2 0 1897.79 1824.91 58.17 o
8 2 0 714.62 697.08 27.44 o
-9 3 0 228.17 213.60 21.44 o
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-7 3 0 1008.91 986.99 41.02 o
-6 3 0 82.70 81.04 11.14 o
-5 3 0 3442.27 3385.91 52.93 o
-4 3 0 5374.73 5569.11 77.53 o
-3 3 0 1279.62 1420.01 25.49 o
-2 3 0 11987.03 11577.84 325.22 o
-1 3 0 11181.17 10579.56 158.27 o
0 3 0 0.67 4.54 4.20 o
1 3 0 4757.00 4796.38 53.33 o
2 3 0 4795.36 4896.73 55.28 o
3 3 0 1.16 8.15 5.28 o
4 3 0 2250.02 2251.90 42.38 o
5 3 0 2424.23 2456.61 47.33 o
6 3 0 282.77 267.28 13.80 o
7 3 0 798.46 795.10 25.95 o
-9 4 0 223.67 190.06 20.16 o
-8 4 0 854.98 830.09 39.81 o
-7 4 0 1900.19 1760.68 36.48 o
-6 4 0 370.72 340.00 13.47 o
-5 4 0 465.20 493.96 22.36 o
-4 4 0 3597.20 3645.48 55.71 o
-3 4 0 2214.64 2275.40 37.31 o
-2 4 0 3070.46 3191.10 38.28 o
-1 4 0 10717.16 10762.28 138.80 o
0 4 0 643.58 656.59 15.78 o
1 4 0 676.20 672.25 12.33 o
2 4 0 3821.08 3847.96 46.37 o
3 4 0 3294.76 3295.78 54.90 o
4 4 0 222.84 216.30 11.18 o
5 4 0 4129.83 4013.68 69.10 o
6 4 0 1244.65 1181.19 31.84 o
7 4 0 153.70 130.65 15.99 o
-8 5 0 22.59 24.02 10.15 o
-7 5 0 1209.18 1239.19 30.42 o
-6 5 0 2101.69 2113.59 41.18 o
-5 5 0 10.83 8.81 3.98 o
-4 5 0 2892.95 2989.60 85.96 o
-3 5 0 2978.93 3017.53 38.35 o
-2 5 0 245.91 258.36 7.14 o
-1 5 0 1705.24 1811.96 32.90 o
0 5 0 2152.03 2225.80 38.61 o
1 5 0 0.76 4.87 9.42 o
2 5 0 2632.45 2726.04 45.43 o
3 5 0 3332.27 3250.51 83.40 o
4 5 0 360.21 359.23 22.89 o
5 5 0 900.45 887.40 39.51 o
6 5 0 1499.95 1468.75 55.80 o
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-7 6 0 534.64 552.12 20.10 o
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-4 6 0 1256.97 1231.40 41.34 o
-3 6 0 3942.37 3874.11 88.52 o
-2 6 0 1789.30 1883.63 36.10 o
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0 6 0 2131.05 2180.10 40.36 o
1 6 0 670.61 711.83 19.99 o
2 6 0 1231.29 1245.15 27.88 o
3 6 0 3149.55 3037.44 82.41 o
4 6 0 275.12 276.65 21.35 o
5 6 0 267.38 244.12 21.44 o
-7 7 0 18.90 13.64 8.23 o
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-5 7 0 934.95 996.56 39.85 o
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-1 7 0 183.67 172.73 9.94 o
0 7 0 3231.61 3292.71 56.90 o
1 7 0 3097.46 3123.47 88.02 o
2 7 0 117.64 160.15 15.58 o
3 7 0 1078.62 1058.39 44.22 o
4 7 0 1583.49 1622.34 59.81 o
-6 8 0 809.79 867.89 39.91 o
-5 8 0 1526.52 1586.54 55.90 o
-4 8 0 1302.39 1305.48 49.07 o
-3 8 0 462.77 465.39 27.38 o
-2 8 0 1016.93 966.23 40.03 o
-1 8 0 106.11 89.75 9.88 o
0 8 0 97.61 114.82 15.64 o
1 8 0 1202.92 1190.05 45.57 o
2 8 0 583.43 616.33 32.98 o
-4 9 0 985.18 964.60 44.40 o
-3 9 0 1.54 -0.99 7.61 o
-2 9 0 768.63 778.81 38.09 o
-1 9 0 1101.63 1159.07 46.55 o
0 9 0 33.62 34.80 19.52 o
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0 -9 1 1618.92 1617.56 53.40 o
1 -9 1 439.25 435.39 26.29 o
2 -9 1 83.41 45.81 12.93 o
3 -9 1 1228.45 1315.16 50.67 o
4 -9 1 1124.51 1179.57 48.21 o
5 -9 1 20.38 38.24 12.86 o
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-1 -8 1 5.98 1.05 3.89 o
0 -8 1 1847.92 1838.83 38.59 o
1 -8 1 2763.88 2828.41 74.10 o
2 -8 1 78.92 80.04 14.27 o
3 -8 1 1223.08 1243.65 45.87 o
4 -8 1 2880.94 2908.92 79.28 o
5 -8 1 576.70 644.83 32.79 o
6 -8 1 273.33 300.34 22.83 o
-5 -7 1 1346.20 1207.66 51.04 o
-4 -7 1 539.75 480.45 29.17 o
-3 -7 1 72.78 75.93 13.67 o
-2 -7 1 2812.13 2706.91 74.20 o
-1 -7 1 1882.71 1974.58 38.52 o
0 -7 1 0.64 2.82 3.30 o
1 -7 1 3513.28 3497.64 57.35 o
2 -7 1 2714.74 2729.30 69.96 o
3 -7 1 181.45 167.61 14.78 o
4 -7 1 2230.56 2197.33 62.19 o
5 -7 1 1707.87 1697.78 53.37 o
6 -7 1 124.15 129.93 14.35 o
7 -7 1 1681.04 1775.42 56.07 o
-6 -6 1 86.50 71.50 15.93 o
-5 -6 1 979.52 865.80 39.80 o
-4 -6 1 1695.15 1615.87 55.04 o
-3 -6 1 203.92 182.05 15.91 o
-2 -6 1 897.07 865.07 25.65 o
-1 -6 1 2714.33 2793.52 46.93 o
0 -6 1 870.10 900.78 33.51 o
1 -6 1 1542.78 1593.93 30.50 o
2 -6 1 3702.19 3732.48 59.86 o
3 -6 1 1236.92 1271.10 37.77 o
4 -6 1 947.27 899.86 22.28 o
5 -6 1 3543.48 3593.75 59.64 o
6 -6 1 1318.36 1293.76 30.97 o
7 -6 1 415.12 417.84 30.16 o
8 -6 1 1466.21 1487.00 57.21 o
-7 -5 1 1072.05 984.87 44.22 o
-6 -5 1 689.38 631.09 33.21 o
-5 -5 1 298.12 275.79 13.97 o
-4 -5 1 2653.26 2458.24 47.04 o
-3 -5 1 1034.90 1023.88 24.71 o
-2 -5 1 1766.88 1797.01 26.04 o
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0 -5 1 4551.38 4810.60 68.70 o
1 -5 1 309.01 351.86 10.86 o
2 -5 1 2558.14 2621.74 33.26 o
3 -5 1 3601.36 3671.04 55.74 o
4 -5 1 450.31 464.49 14.58 o
5 -5 1 1703.22 1734.09 34.63 o
6 -5 1 1371.37 1343.54 30.50 o
7 -5 1 234.66 213.81 11.77 o
8 -5 1 733.44 747.09 38.36 o
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0 -4 1 9702.92 9717.03 180.21 o
1 -4 1 82.62 58.43 3.91 o
2 -4 1 1546.17 1548.59 20.90 o
3 -4 1 6728.95 6806.96 92.02 o
4 -4 1 287.30 286.06 10.70 o
5 -4 1 1095.14 1092.42 24.60 o
6 -4 1 2739.59 2693.85 47.18 o
7 -4 1 850.59 815.03 37.05 o
8 -4 1 102.44 86.07 16.16 o
-8 -3 1 618.99 551.47 32.58 o
-7 -3 1 313.99 328.10 23.21 o
-6 -3 1 3017.90 2963.55 80.07 o
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-1 -3 1 1222.04 1363.70 29.86 o
0 -3 1 7611.92 7581.53 132.45 o
1 -3 1 1765.26 1717.46 28.17 o
2 -3 1 416.01 449.56 11.27 o
3 -3 1 3187.82 3182.47 47.19 o
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6 -3 1 3148.40 3005.26 49.65 o
7 -3 1 2706.52 2724.72 78.09 o
8 -3 1 5.91 4.04 7.22 o
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0 -2 1 7166.92 7335.07 125.78 o
1 -2 1 1730.45 1780.85 25.16 o
2 -2 1 5302.61 5540.06 72.56 o
3 -2 1 790.58 798.70 16.31 o
4 -2 1 1990.77 1893.35 31.71 o
5 -2 1 1200.56 1212.64 24.24 o
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8 -2 1 347.13 337.06 24.96 o
9 -2 1 174.30 161.02 18.84 o
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0 -1 1 31.39 43.98 2.76 o
1 -1 1 10267.78 9350.27 100.50 o
2 -1 1 4567.71 4352.70 60.30 o
3 -1 1 668.52 702.24 14.33 o
4 -1 1 4497.03 4338.05 94.72 o
5 -1 1 3813.92 3747.63 43.24 o
6 -1 1 352.07 337.31 21.45 o
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9 -1 1 5.06 4.07 9.06 o
-9 0 1 50.18 50.37 14.92 o
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0 0 1 2101.02 2066.54 38.11 o
1 0 1 88.72 99.58 4.89 o
2 0 1 6212.82 5882.60 62.84 o
3 0 1 1221.28 1205.82 17.26 o
4 0 1 277.18 276.04 8.74 o
5 0 1 4100.59 4319.76 83.96 o
6 0 1 760.85 763.94 21.92 o
7 0 1 1124.99 1158.43 32.15 o
8 0 1 2654.41 2760.21 82.77 o
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-7 1 1 1494.88 1503.52 52.64 o
-6 1 1 2728.16 2796.41 75.22 o
-5 1 1 20.72 33.38 4.24 o
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-3 1 1 11551.90 10613.77 245.56 o
-2 1 1 228.17 243.18 7.42 o
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0 1 1 658.73 750.89 13.75 o
1 1 1 139.29 131.82 3.94 o
2 1 1 2621.58 2548.51 30.68 o
3 1 1 7505.91 7189.43 188.51 o
4 1 1 361.13 363.61 8.69 o
5 1 1 1895.19 1865.70 52.46 o
6 1 1 2812.49 2860.59 53.14 o
7 1 1 2.13 -3.71 3.98 o
8 1 1 499.85 490.05 30.15 o
-9 2 1 1683.21 1677.83 62.31 o
-8 2 1 55.37 45.34 12.63 o
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-1 2 1 3402.57 3595.48 40.74 o
0 2 1 6106.10 5891.15 78.14 o
1 2 1 5162.45 5103.30 56.15 o
2 2 1 155.22 145.77 5.12 o
3 2 1 6480.62 6360.99 70.93 o
4 2 1 912.13 894.87 22.39 o
5 2 1 603.91 621.75 19.52 o
6 2 1 1220.91 1234.54 31.24 o
7 2 1 392.99 393.67 22.47 o
8 2 1 13.53 12.33 6.70 o
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2 3 1 22.17 23.59 3.09 o
3 3 1 3321.83 3407.81 42.52 o
4 3 1 2951.07 3077.00 53.53 o
5 3 1 61.00 61.08 10.88 o
6 3 1 1748.67 1772.91 40.29 o
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0 4 1 937.38 962.82 21.40 o
1 4 1 6754.75 6997.45 96.60 o
2 4 1 1528.40 1527.47 29.52 o
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5 4 1 1125.10 1119.99 44.30 o
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0 5 1 81.42 85.97 6.64 o
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4 5 1 970.08 989.81 41.20 o
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2 6 1 2735.91 2722.32 75.65 o
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4 6 1 317.90 286.47 22.83 o
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1 -9 2 12.41 8.46 7.50 o
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3 -9 2 1328.35 1337.99 50.16 o
4 -9 2 33.74 21.32 9.72 o
5 -9 2 1661.51 1596.48 57.36 o
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0 -8 2 2556.67 2478.19 46.05 o
1 -8 2 273.80 260.03 18.33 o
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3 -8 2 3163.68 3158.57 81.74 o
4 -8 2 449.62 402.90 24.70 o
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0 0 9 1742.32 1727.44 64.56 o
-1 -7 10 40.63 35.91 13.49 o
-3 -6 10 175.42 180.61 24.70 o
-2 -6 10 1074.61 1047.43 47.03 o
-1 -6 10 1204.12 1186.82 50.97 o
0 -6 10 58.58 55.62 15.59 o
-4 -5 10 425.41 473.17 30.24 o
-3 -5 10 1.05 -4.59 8.97 o
-2 -5 10 1828.72 1686.39 61.66 o
-1 -5 10 2416.68 2390.65 76.55 o
0 -5 10 426.17 421.62 29.93 o
-4 -4 10 1468.29 1387.37 53.88 o
-3 -4 10 293.51 280.54 23.71 o
-2 -4 10 267.27 247.93 22.41 o
-1 -4 10 1865.42 1800.23 64.23 o
0 -4 10 975.86 936.70 44.86 o
-4 -3 10 940.80 881.42 29.12 o
-3 -3 10 1690.05 1632.89 60.08 o
-2 -3 10 151.33 130.74 21.09 o
-1 -3 10 421.10 389.73 28.19 o
0 -3 10 2121.89 2085.26 71.13 o
-4 -2 10 200.93 188.62 20.10 o
-3 -2 10 1870.68 1856.60 66.07 o
-2 -2 10 1063.22 1032.57 47.01 o
-1 -2 10 5.74 3.26 9.93 o