#------------------------------------------------------------------------------
#$Date: 2016-04-03 01:33:27 +0300 (Sun, 03 Apr 2016) $
#$Revision: 181067 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/47/2214752.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_2214752_Fobs
loop_
_publ_author_name
'Wang, Xiao-Yan'
'Dong, Chen-Chen'
'Deng, Xiao-Tao'
'Wang, Cheng-Gang'
'Hu, Bo'
_publ_section_title
;
catena-Poly[[diaqua(2,2'-bipyridine-\k^2^N,N')cadmium(II)]-\m-phthalato-\k^2^O:O']
;
_journal_coeditor_code IM2023
_journal_issue 8
_journal_name_full 'Acta Crystallographica Section E'
_journal_page_first m2079
_journal_volume 63
_journal_year 2007
_space_group_IT_number 2
_symmetry_space_group_name_Hall '-P 1'
_symmetry_space_group_name_H-M 'P -1'
_cell_angle_alpha 92.676
_cell_angle_beta 100.809
_cell_angle_gamma 90.382
_cell_length_a 7.1268
_cell_length_b 10.0900
_cell_length_c 12.2110
_exptl_crystal_F_000 468.00
_reflns_d_resolution_high 0.8181
_cod_data_source_file im2023Isup2.hkl
_cod_data_source_block I
#BEGIN Tags that were not found in dictionaries:
_shelx_title ' 070505dm in P-1'
_shelx_refln_list_code 4
_shelx_f_calc_maximum 150.95
_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 1649.07 1685.32 16.25 o
2 0 0 6979.85 7007.63 44.08 o
3 0 0 5932.43 6142.20 40.59 o
4 0 0 133.62 111.38 4.17 o
5 0 0 836.59 843.22 19.58 o
6 0 0 1218.71 1240.52 39.07 o
7 0 0 136.03 141.04 14.85 o
8 0 0 205.89 193.07 18.97 o
-8 1 0 89.76 92.91 14.83 o
-7 1 0 44.82 54.24 11.19 o
-6 1 0 126.88 145.53 13.71 o
-5 1 0 164.47 158.65 12.62 o
-4 1 0 25.03 21.49 2.82 o
-3 1 0 2718.77 2965.76 94.51 o
-2 1 0 11013.57 11409.00 198.99 o
-1 1 0 732.79 727.98 30.27 o
0 1 0 17268.80 12412.88 1073.86 o
1 1 0 3892.20 4145.55 46.75 o
2 1 0 237.68 240.25 9.59 o
3 1 0 525.28 517.71 15.05 o
4 1 0 899.86 961.83 13.38 o
5 1 0 1170.62 1190.46 22.45 o
6 1 0 1287.16 1231.53 25.95 o
7 1 0 155.66 136.63 14.50 o
8 1 0 176.18 150.90 16.98 o
-8 2 0 3.85 5.34 5.39 o
-7 2 0 29.79 36.80 9.39 o
-6 2 0 644.89 678.29 28.92 o
-5 2 0 11.35 10.30 2.71 o
-4 2 0 1207.24 1196.25 25.13 o
-3 2 0 7162.05 7522.47 136.64 o
-2 2 0 193.20 229.46 6.63 o
-1 2 0 3424.73 3548.48 38.74 o
0 2 0 2605.79 2400.61 25.89 o
1 2 0 644.62 759.32 14.97 o
2 2 0 8569.18 8135.21 688.58 o
3 2 0 5065.36 5196.23 98.90 o
4 2 0 1.48 5.12 1.85 o
5 2 0 1207.27 1152.73 67.35 o
6 2 0 684.76 644.18 18.51 o
7 2 0 273.02 261.87 20.14 o
8 2 0 251.09 226.43 20.45 o
-8 3 0 6.83 7.92 6.27 o
-7 3 0 270.79 304.50 21.52 o
-6 3 0 189.41 227.45 17.01 o
-5 3 0 403.99 413.13 13.20 o
-4 3 0 1093.16 1177.71 57.45 o
-3 3 0 3063.22 3301.80 37.45 o
-2 3 0 47.15 62.62 11.46 o
-1 3 0 3574.84 3615.24 64.48 o
0 3 0 521.00 462.01 6.97 o
1 3 0 0.04 2.16 1.14 o
2 3 0 12612.83 12623.32 130.48 o
3 3 0 4162.62 4324.43 41.95 o
4 3 0 65.60 63.28 7.02 o
5 3 0 392.82 374.15 13.06 o
6 3 0 271.09 273.48 12.43 o
7 3 0 1.76 6.09 5.43 o
8 3 0 83.21 101.35 15.77 o
-8 4 0 5.11 9.43 6.82 o
-7 4 0 480.58 460.25 26.68 o
-6 4 0 951.65 957.02 35.51 o
-5 4 0 6.14 10.41 3.25 o
-4 4 0 521.24 608.88 15.73 o
-3 4 0 2128.47 699.06 1102.95 o
-2 4 0 3264.29 3534.37 42.76 o
-1 4 0 5138.37 5354.92 57.33 o
0 4 0 1663.86 1561.09 26.75 o
1 4 0 219.15 241.21 7.04 o
2 4 0 10076.33 10811.54 116.16 o
3 4 0 846.75 784.11 29.13 o
4 4 0 88.16 101.68 7.16 o
5 4 0 739.25 722.02 38.76 o
6 4 0 219.37 222.85 11.63 o
7 4 0 91.68 87.81 13.66 o
8 4 0 206.01 225.30 21.20 o
-7 5 0 484.86 459.17 26.84 o
-6 5 0 589.69 619.92 28.60 o
-5 5 0 8.47 3.70 2.51 o
-4 5 0 644.56 692.58 17.85 o
-3 5 0 1460.20 1534.84 26.46 o
-2 5 0 327.43 282.78 9.29 o
-1 5 0 6568.24 6719.42 70.80 o
0 5 0 3830.56 3603.96 115.38 o
1 5 0 726.23 751.46 14.78 o
2 5 0 1833.44 1879.07 28.75 o
3 5 0 284.99 290.02 10.43 o
4 5 0 1197.69 972.79 209.60 o
5 5 0 773.39 774.30 20.69 o
6 5 0 491.46 458.51 17.38 o
7 5 0 151.08 158.48 16.58 o
-7 6 0 210.56 241.07 19.80 o
-6 6 0 281.13 291.81 19.61 o
-5 6 0 8.90 13.61 3.87 o
-4 6 0 1014.09 1040.18 23.52 o
-3 6 0 1157.26 1155.77 42.61 o
-2 6 0 36.31 45.04 4.46 o
-1 6 0 3914.82 3915.40 48.62 o
0 6 0 663.20 609.06 11.13 o
1 6 0 740.91 736.15 12.50 o
2 6 0 1506.46 1530.77 26.09 o
3 6 0 345.55 373.74 10.36 o
4 6 0 474.90 464.43 25.48 o
5 6 0 2482.60 1996.37 449.36 o
6 6 0 236.23 247.55 14.47 o
7 6 0 64.38 79.91 13.89 o
-5 7 0 226.59 109.25 119.67 o
-4 7 0 1001.21 1071.94 25.00 o
-3 7 0 704.70 648.43 17.53 o
-2 7 0 3.35 10.79 2.91 o
-1 7 0 1433.73 1446.77 65.53 o
0 7 0 258.96 225.86 15.55 o
1 7 0 1317.33 1326.90 19.59 o
2 7 0 1497.33 1459.92 26.88 o
3 7 0 604.33 632.26 17.83 o
4 7 0 393.91 395.63 14.73 o
5 7 0 588.26 576.39 41.75 o
6 7 0 151.95 156.18 15.53 o
-6 8 0 68.26 88.71 13.95 o
-5 8 0 66.37 68.39 11.72 o
-4 8 0 691.57 705.09 31.49 o
-3 8 0 86.38 64.18 10.23 o
-2 8 0 206.93 176.76 14.13 o
-1 8 0 2066.64 2122.98 55.71 o
0 8 0 26.90 33.21 7.31 o
1 8 0 343.10 339.50 19.25 o
2 8 0 1238.21 1279.63 45.67 o
3 8 0 226.99 225.98 16.54 o
4 8 0 170.74 159.48 14.96 o
5 8 0 313.34 306.92 20.94 o
-5 9 0 332.71 357.16 24.47 o
-4 9 0 134.92 155.96 15.80 o
-3 9 0 22.65 21.15 6.98 o
-2 9 0 335.72 303.85 20.00 o
-1 9 0 161.71 147.30 14.00 o
0 9 0 118.07 112.17 12.34 o
1 9 0 494.34 481.46 25.63 o
2 9 0 258.30 276.59 19.41 o
3 9 0 15.52 10.43 6.33 o
4 9 0 405.18 401.78 24.97 o
5 9 0 260.10 262.90 20.77 o
-5 10 0 228.96 253.60 21.95 o
-4 10 0 550.92 564.17 31.76 o
-3 10 0 1.47 3.88 4.48 o
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-1 10 0 850.26 817.54 36.99 o
0 10 0 60.52 54.78 10.49 o
1 10 0 552.65 606.98 31.91 o
2 10 0 437.95 474.27 28.49 o
4 10 0 389.46 404.23 26.78 o
-3 11 0 34.89 40.80 10.83 o
-2 11 0 517.37 472.25 29.46 o
-1 11 0 168.95 178.57 17.55 o
0 11 0 35.96 33.94 9.72 o
1 11 0 367.09 370.22 25.96 o
2 11 0 226.68 237.15 21.06 o
-2 12 0 251.96 265.18 23.82 o
-1 12 0 155.66 154.21 17.84 o
0 12 0 11.66 28.71 10.28 o
1 12 0 461.16 543.56 34.74 o
-1 -12 1 0.24 1.12 5.83 o
0 -12 1 462.80 469.09 31.90 o
1 -12 1 161.75 159.27 18.15 o
-2 -11 1 182.79 205.92 19.70 o
-1 -11 1 75.03 86.81 13.60 o
0 -11 1 575.89 567.29 33.20 o
1 -11 1 85.99 98.49 14.78 o
2 -11 1 1.46 0.18 4.75 o
3 -11 1 351.88 406.40 28.14 o
-4 -10 1 80.81 97.33 14.59 o
-3 -10 1 483.80 578.58 34.60 o
-2 -10 1 95.99 120.16 13.89 o
-1 -10 1 389.38 430.94 26.86 o
0 -10 1 831.82 881.58 40.35 o
1 -10 1 102.77 104.62 13.15 o
2 -10 1 152.56 175.53 16.63 o
3 -10 1 468.36 524.62 30.14 o
4 -10 1 318.26 347.27 24.92 o
5 -10 1 263.72 270.17 22.63 o
-4 -9 1 58.06 73.81 11.92 o
-3 -9 1 1345.91 1429.34 63.50 o
-2 -9 1 322.19 354.90 22.93 o
-1 -9 1 334.82 333.37 21.42 o
0 -9 1 1547.30 1579.89 54.77 o
1 -9 1 586.93 562.44 28.06 o
2 -9 1 430.09 405.55 23.76 o
3 -9 1 1161.52 1180.95 44.10 o
4 -9 1 719.15 735.26 34.77 o
5 -9 1 275.28 317.18 23.08 o
-6 -8 1 218.76 206.43 18.17 o
-5 -8 1 6.25 18.70 5.55 o
-4 -8 1 277.25 272.75 12.98 o
-3 -8 1 401.44 419.77 19.33 o
-2 -8 1 17.17 17.31 3.03 o
-1 -8 1 44.64 53.33 4.46 o
0 -8 1 36.01 33.62 7.33 o
1 -8 1 726.32 670.46 28.75 o
2 -8 1 414.61 430.49 22.58 o
3 -8 1 716.80 745.12 31.39 o
4 -8 1 399.82 329.90 21.26 o
5 -8 1 148.33 30.99 8.35 o
-7 -7 1 242.37 255.21 21.53 o
-6 -7 1 728.15 531.42 28.17 o
-5 -7 1 1.52 2.69 2.80 o
-4 -7 1 1121.21 1140.23 25.28 o
-3 -7 1 470.93 487.67 20.92 o
-2 -7 1 300.23 309.39 17.94 o
-1 -7 1 964.60 940.23 16.67 o
0 -7 1 1795.49 1718.01 26.88 o
1 -7 1 263.76 244.92 10.06 o
2 -7 1 2351.34 2477.90 79.91 o
3 -7 1 1050.10 1111.00 24.83 o
4 -7 1 45.79 41.90 5.81 o
5 -7 1 405.50 397.33 15.91 o
6 -7 1 384.56 420.00 25.03 o
7 -7 1 0.01 4.55 6.09 o
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-6 -6 1 656.23 653.61 30.68 o
-5 -6 1 137.66 150.20 9.47 o
-4 -6 1 548.93 526.24 66.40 o
-3 -6 1 671.75 707.58 24.40 o
-2 -6 1 18.75 22.26 4.85 o
-1 -6 1 2759.84 2658.72 34.06 o
0 -6 1 2756.94 2530.82 58.21 o
1 -6 1 19.35 17.44 4.10 o
2 -6 1 2084.06 2164.86 33.65 o
3 -6 1 1324.48 1331.39 26.96 o
4 -6 1 108.90 56.07 40.23 o
5 -6 1 801.08 788.03 21.93 o
6 -6 1 576.47 574.53 29.04 o
7 -6 1 14.08 20.15 7.75 o
-7 -5 1 119.67 114.52 14.28 o
-6 -5 1 886.03 929.86 35.92 o
-5 -5 1 144.79 137.14 8.94 o
-4 -5 1 1551.05 1504.30 106.15 o
-3 -5 1 768.12 787.99 23.29 o
-2 -5 1 451.83 510.81 17.79 o
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0 -5 1 606.35 533.81 10.26 o
1 -5 1 33.39 35.07 3.64 o
2 -5 1 2168.40 2146.86 31.80 o
3 -5 1 1594.51 1505.45 179.14 o
4 -5 1 1137.45 1160.13 24.58 o
5 -5 1 1622.54 1538.84 32.31 o
6 -5 1 474.97 465.63 25.63 o
7 -5 1 56.08 73.35 12.95 o
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-6 -4 1 533.48 520.45 26.31 o
-5 -4 1 28.83 35.48 4.99 o
-4 -4 1 3626.63 3730.87 43.57 o
-3 -4 1 3126.88 3077.15 74.47 o
-2 -4 1 157.38 165.39 9.49 o
-1 -4 1 6590.90 6314.31 88.87 o
0 -4 1 73.39 66.40 3.72 o
1 -4 1 346.66 352.31 16.73 o
2 -4 1 2490.39 2453.27 33.71 o
3 -4 1 2225.41 2222.22 33.34 o
4 -4 1 910.94 945.69 34.27 o
5 -4 1 1692.50 1795.71 76.96 o
6 -4 1 367.43 345.12 21.63 o
7 -4 1 65.72 83.60 13.44 o
8 -4 1 456.67 480.13 30.60 o
-8 -3 1 14.96 14.09 7.44 o
-7 -3 1 770.54 795.17 35.25 o
-6 -3 1 308.11 304.24 12.58 o
-5 -3 1 7.54 7.68 2.47 o
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-3 -3 1 2290.55 2473.66 29.38 o
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0 -3 1 124.27 128.85 5.27 o
1 -3 1 1513.99 1576.30 41.33 o
2 -3 1 6976.32 7267.97 104.41 o
3 -3 1 1050.86 1044.48 19.20 o
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6 -3 1 79.86 81.65 11.75 o
7 -3 1 372.32 362.56 24.07 o
8 -3 1 516.33 483.60 30.42 o
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-6 -2 1 327.35 315.82 16.65 o
-5 -2 1 60.39 53.12 4.97 o
-4 -2 1 1478.26 1398.11 40.26 o
-3 -2 1 1249.30 1295.77 18.75 o
-2 -2 1 656.61 784.47 54.51 o
0 -2 1 3206.12 3030.19 30.46 o
1 -2 1 7307.01 7434.95 104.87 o
2 -2 1 1037.41 1104.13 17.66 o
3 -2 1 806.91 832.61 23.83 o
4 -2 1 108.80 103.98 5.75 o
5 -2 1 820.41 781.99 28.84 o
6 -2 1 266.44 284.67 19.36 o
7 -2 1 504.39 490.28 27.78 o
8 -2 1 384.63 397.67 27.14 o
-8 -1 1 204.36 181.86 18.33 o
-7 -1 1 674.63 703.65 32.19 o
-6 -1 1 81.02 82.46 6.60 o
-5 -1 1 138.34 129.72 7.10 o
-4 -1 1 2110.25 2240.61 20.28 o
-3 -1 1 187.60 163.34 4.34 o
-2 -1 1 5940.27 5929.49 37.39 o
-1 -1 1 10228.35 9363.46 331.96 o
0 -1 1 133.42 177.40 4.08 o
1 -1 1 5759.08 6012.66 80.55 o
2 -1 1 2247.37 2616.81 55.77 o
3 -1 1 78.97 89.03 5.05 o
4 -1 1 224.85 227.97 17.07 o
5 -1 1 1953.92 1850.08 44.46 o
6 -1 1 32.85 34.27 8.56 o
7 -1 1 520.91 511.14 27.96 o
8 -1 1 332.73 362.03 25.95 o
-8 0 1 228.12 182.28 18.14 o
-7 0 1 712.97 668.13 31.03 o
-6 0 1 55.94 54.20 9.74 o
-5 0 1 2912.19 2875.59 53.96 o
-4 0 1 6209.10 6188.71 83.42 o
-3 0 1 101.40 107.50 3.65 o
-2 0 1 22786.50 18671.06 633.85 o
-1 0 1 2704.31 2722.22 34.24 o
0 0 1 85.52 117.32 3.38 o
1 0 1 5253.09 5444.94 44.33 o
2 0 1 138.59 173.87 4.56 o
3 0 1 280.74 292.56 5.91 o
4 0 1 2486.40 2571.28 72.10 o
5 0 1 2355.01 2310.72 35.81 o
6 0 1 6.47 11.35 5.43 o
7 0 1 470.22 445.73 26.11 o
8 0 1 272.22 280.18 22.84 o
-8 1 1 111.88 131.00 15.46 o
-7 1 1 808.79 772.23 33.25 o
-6 1 1 662.60 670.25 28.03 o
-5 1 1 3782.08 3738.06 47.09 o
-4 1 1 12409.03 12353.72 243.54 o
-3 1 1 745.90 821.60 13.95 o
-2 1 1 7169.93 7554.67 54.91 o
-1 1 1 9558.21 9610.62 73.39 o
0 1 1 2291.14 2592.96 30.69 o
1 1 1 2453.64 2500.97 162.90 o
2 1 1 8422.23 8684.10 137.46 o
3 1 1 484.84 553.92 12.33 o
4 1 1 1664.66 1675.44 57.31 o
5 1 1 974.10 912.11 37.45 o
6 1 1 1.43 3.99 2.77 o
7 1 1 348.29 353.04 15.59 o
8 1 1 268.47 291.21 23.16 o
-8 2 1 19.27 28.02 9.15 o
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-5 2 1 2021.99 2013.52 35.92 o
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-2 2 1 2123.51 954.66 1134.60 o
-1 2 1 142.98 130.68 13.98 o
0 2 1 56.25 64.92 1.94 o
1 2 1 3255.54 3392.20 34.00 o
2 2 1 11154.99 11517.48 175.39 o
3 2 1 10.67 8.60 1.10 o
4 2 1 911.49 960.42 35.17 o
5 2 1 253.84 254.11 10.82 o
6 2 1 115.89 109.17 8.02 o
7 2 1 562.63 524.56 18.91 o
8 2 1 151.86 159.77 17.74 o
-8 3 1 170.82 175.04 17.93 o
-7 3 1 609.92 604.14 29.51 o
-6 3 1 223.46 243.15 16.93 o
-5 3 1 1844.44 1963.84 40.35 o
-4 3 1 544.37 511.60 20.96 o
-3 3 1 1792.29 1582.66 336.20 o
-2 3 1 8388.96 8591.32 215.02 o
-1 3 1 2453.16 2510.62 28.26 o
0 3 1 298.97 319.12 5.04 o
1 3 1 3377.21 3535.23 83.71 o
2 3 1 6542.99 6883.60 129.44 o
3 3 1 169.55 127.27 53.94 o
4 3 1 484.67 467.67 13.74 o
5 3 1 262.40 260.78 11.99 o
6 3 1 62.06 70.27 7.37 o
7 3 1 1207.47 1141.07 39.75 o
8 3 1 91.70 91.94 15.81 o
-8 4 1 378.25 423.00 27.25 o
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-3 4 1 678.58 646.34 14.33 o
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0 4 1 968.65 975.29 40.08 o
1 4 1 56.66 34.13 7.64 o
2 4 1 22.84 18.59 2.15 o
3 4 1 179.85 157.92 11.03 o
4 4 1 862.67 342.38 424.61 o
5 4 1 234.55 239.22 11.35 o
6 4 1 46.54 56.75 7.13 o
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-7 5 1 7.00 17.96 7.38 o
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2 5 1 104.14 144.40 10.19 o
3 5 1 754.96 737.44 47.74 o
4 5 1 3823.65 3808.88 149.28 o
5 5 1 127.36 43.36 52.79 o
6 5 1 362.43 385.63 16.17 o
7 5 1 219.37 236.85 20.16 o
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0 6 1 3899.37 3927.21 70.98 o
1 6 1 2339.76 2291.95 24.04 o
2 6 1 267.43 301.00 9.84 o
3 6 1 307.00 313.24 18.51 o
4 6 1 1386.98 1354.07 26.70 o
5 6 1 294.26 292.90 27.20 o
6 6 1 320.45 142.84 158.38 o
7 6 1 133.72 159.54 16.91 o
-6 7 1 290.86 320.67 21.75 o
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-4 7 1 17.22 10.01 4.78 o
-3 7 1 1427.86 1467.47 41.76 o
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-1 7 1 0.32 1.47 2.76 o
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2 7 1 65.44 96.19 9.22 o
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