#------------------------------------------------------------------------------
#$Date: 2013-08-28 13:42:33 +0300 (Wed, 28 Aug 2013) $
#$Revision: 88054 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/89/2018949.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_2018949_Fobs
loop_
_publ_author_name
'Luo, Shao-Hua'
_publ_section_title
;
 Poly[bis(\m-5-iodoisophthalato)(methanol)dilead(II)] exhibiting a novel
 centrosymmetric rhombus-shaped I~4~ unit
;
_journal_coeditor_code           EM3057
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              494
_journal_page_last               497
_journal_volume                  69
_journal_year                    2013
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 93.897
_cell_angle_gamma                90.000
_cell_length_a                   4.3137
_cell_length_b                   27.9180
_cell_length_c                   17.6437
_exptl_crystal_F_000             1816.00
_reflns_d_resolution_high        0.7702
_[local]_cod_data_source_file    em3057Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' I         P21/c        R = 0.03'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            594.58
_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 28001.86 27030.71 731.46 o
2 0 0 43244.80 42902.62 1326.33 o
3 0 0 2627.42 2811.16 153.68 o
4 0 0 207.13 199.69 176.85 o
5 0 0 31.71 202.15 181.00 o
1 1 0 26814.26 24455.72 753.89 o
2 1 0 977.54 987.98 52.60 o
3 1 0 45638.30 47178.54 926.31 o
4 1 0 13.30 -74.83 74.83 o
5 1 0 10915.66 12625.15 434.60 o
0 2 0 260.90 187.38 32.00 o
1 2 0 5045.78 5399.33 143.36 o
2 2 0 8282.05 7938.34 200.70 o
3 2 0 5240.86 5591.31 162.23 o
4 2 0 1127.50 1244.03 110.36 o
5 2 0 200.95 342.06 134.99 o
1 3 0 71224.69 70066.41 1432.47 o
2 3 0 79.83 172.69 34.06 o
3 3 0 498.10 488.26 71.19 o
4 3 0 1113.93 1204.37 107.40 o
5 3 0 2520.38 3433.12 256.75 o
0 4 0 171223.64 170566.30 5417.92 o
1 4 0 91767.25 98771.95 2010.76 o
2 4 0 28293.25 29015.09 700.86 o
3 4 0 2153.87 2570.70 105.62 o
4 4 0 1987.18 2221.42 188.22 o
5 4 0 1657.18 2099.66 215.24 o
1 5 0 37960.52 39051.44 811.44 o
2 5 0 1707.41 1496.61 70.13 o
3 5 0 58371.59 58375.05 1134.07 o
4 5 0 1149.00 966.57 103.05 o
5 5 0 14834.72 15678.89 716.39 o
0 6 0 162636.59 165168.41 4341.02 o
1 6 0 40644.04 41148.15 784.36 o
2 6 0 104279.40 103065.42 2112.26 o
3 6 0 8.29 107.21 49.83 o
4 6 0 6073.78 5946.90 209.95 o
5 6 0 370.81 118.44 180.63 o
1 7 0 341.70 375.06 48.97 o
2 7 0 44555.67 44929.18 1048.62 o
3 7 0 44446.78 45947.13 1110.05 o
4 7 0 6483.81 6302.11 412.42 o
5 7 0 40.57 130.45 188.77 o
0 8 0 21139.69 22743.88 627.50 o
1 8 0 25044.47 26685.08 575.65 o
2 8 0 2180.70 2165.82 83.93 o
3 8 0 1672.92 1798.80 107.53 o
4 8 0 666.36 387.41 123.88 o
5 8 0 1395.12 1605.85 326.35 o
1 9 0 11552.64 12796.89 295.05 o
2 9 0 197.73 373.14 46.53 o
3 9 0 98586.06 94943.10 1810.27 o
4 9 0 5956.73 5700.37 342.37 o
5 9 0 3535.79 3924.94 334.35 o
0 10 0 45250.75 47887.80 1286.07 o
1 10 0 2673.76 2940.71 97.53 o
2 10 0 83939.38 82761.24 1574.79 o
3 10 0 151.34 375.66 64.66 o
4 10 0 3311.42 3160.30 214.85 o
5 10 0 70.18 12.80 193.41 o
1 11 0 1413.26 1187.86 83.98 o
2 11 0 263.45 329.26 52.73 o
3 11 0 24692.71 25031.95 580.43 o
4 11 0 3211.56 3668.63 204.56 o
5 11 0 5993.55 6324.48 687.35 o
0 12 0 13805.63 13255.82 525.89 o
1 12 0 33134.80 32240.94 686.57 o
2 12 0 304.76 602.13 57.72 o
3 12 0 3030.47 3243.20 144.03 o
4 12 0 1334.16 1518.04 170.73 o
5 12 0 1989.48 1913.81 258.98 o
1 13 0 22767.47 22747.44 496.58 o
2 13 0 70153.93 70462.75 1359.73 o
3 13 0 9269.71 8734.32 298.09 o
4 13 0 17653.66 17186.27 720.64 o
5 13 0 699.31 867.52 226.57 o
0 14 0 6571.15 6384.44 255.24 o
1 14 0 65822.06 63462.69 1319.62 o
2 14 0 35191.14 34744.99 774.82 o
3 14 0 25.08 147.60 74.65 o
4 14 0 118.33 190.55 134.31 o
5 14 0 2251.68 2441.25 382.00 o
1 15 0 26448.56 26700.02 579.28 o
2 15 0 1364.33 1437.76 97.80 o
3 15 0 27196.69 25534.44 604.58 o
4 15 0 24.67 44.99 128.82 o
5 15 0 4048.06 4148.58 352.85 o
0 16 0 175055.77 172307.38 4564.77 o
1 16 0 54957.73 55258.16 1158.26 o
2 16 0 1493.70 1604.05 105.33 o
3 16 0 37.68 202.74 81.99 o
4 16 0 287.00 449.70 135.23 o
5 16 0 1715.66 1535.00 269.98 o
1 17 0 1473.58 1726.55 112.74 o
2 17 0 20106.60 19289.40 482.36 o
3 17 0 1576.54 1607.37 122.43 o
4 17 0 15631.72 14832.17 518.27 o
0 18 0 26621.28 26972.57 1046.41 o
1 18 0 42291.82 42310.62 1013.85 o
2 18 0 1442.76 1481.61 147.73 o
3 18 0 4268.34 4202.66 185.48 o
4 18 0 1318.57 1402.90 164.38 o
1 19 0 11782.50 11998.95 342.37 o
2 19 0 21793.55 20982.59 578.88 o
3 19 0 443.25 584.66 145.08 o
4 19 0 6716.68 6218.12 303.60 o
0 20 0 15142.33 15350.43 477.26 o
1 20 0 5186.15 5513.10 199.59 o
2 20 0 1334.57 1504.58 125.53 o
3 20 0 1068.76 1151.54 136.35 o
4 20 0 4606.53 4601.22 261.21 o
1 21 0 5093.19 5365.17 202.54 o
2 21 0 16226.20 14619.80 714.57 o
3 21 0 44.17 157.74 112.08 o
4 21 0 3065.87 2978.66 221.45 o
0 22 0 468.48 871.17 142.34 o
1 22 0 69101.45 67947.09 1936.01 o
2 22 0 6650.60 6613.17 465.75 o
3 22 0 698.68 733.61 137.90 o
4 22 0 703.23 636.75 156.84 o
1 23 0 2743.66 3368.27 239.76 o
2 23 0 39945.38 39119.26 1020.57 o
3 23 0 607.88 683.88 135.95 o
4 23 0 16420.53 15802.58 560.84 o
0 24 0 21743.27 22626.88 880.54 o
1 24 0 12632.65 13112.66 427.30 o
2 24 0 59.90 110.62 93.81 o
3 24 0 3317.29 3263.68 218.61 o
4 24 0 79.71 111.45 145.14 o
1 25 0 1139.17 1487.00 146.36 o
2 25 0 1552.50 1490.20 243.92 o
3 25 0 1482.15 1480.57 183.45 o
4 25 0 106.75 39.55 152.45 o
0 26 0 1293.95 1800.75 422.34 o
1 26 0 9440.82 11376.57 471.16 o
2 26 0 1000.44 1383.27 225.92 o
3 26 0 691.69 598.47 151.25 o
1 27 0 11001.53 11847.59 898.01 o
2 27 0 10149.51 9690.01 382.17 o
3 27 0 169.13 25.31 130.76 o
0 28 0 515.50 529.62 218.27 o
1 28 0 28985.78 31741.07 1817.01 o
2 28 0 165.99 228.70 137.76 o
3 28 0 2052.52 2253.40 203.47 o
1 29 0 7838.93 9352.48 690.93 o
2 29 0 9545.56 10242.66 1052.29 o
3 29 0 50.63 90.58 144.48 o
0 30 0 9163.13 11463.44 1223.68 o
1 30 0 224.55 303.74 136.06 o
2 30 0 98.16 426.86 159.24 o
3 30 0 13.58 -138.36 143.02 o
1 31 0 107.32 293.27 146.49 o
2 31 0 8111.70 8496.42 1172.02 o
0 32 0 1090.07 1203.37 244.76 o
1 32 0 18680.21 19845.56 703.76 o
2 32 0 609.00 707.16 195.00 o
1 33 0 133.16 240.26 169.18 o
2 33 0 4014.04 4293.60 347.27 o
0 34 0 2425.10 3425.33 373.88 o
1 34 0 3967.23 4047.87 307.00 o
1 35 0 913.04 858.00 281.07 o
0 36 0 3351.13 4225.66 503.79 o
-5 1 1 3179.32 4041.34 231.28 o
-4 1 1 3161.71 3341.28 142.41 o
-3 1 1 22895.53 23327.26 486.21 o
-2 1 1 178413.16 184226.75 4956.69 o
-1 1 1 32150.28 31382.55 652.14 o
1 1 1 33697.04 35382.49 733.24 o
2 1 1 262.39 270.34 35.72 o
3 1 1 15663.22 15787.11 345.91 o
4 1 1 8605.85 8712.71 307.37 o
5 1 1 1098.12 1054.89 157.54 o
-5 2 1 8440.78 9568.91 355.80 o
-4 2 1 3003.16 3188.14 138.15 o
-3 2 1 29153.14 28439.16 639.24 o
-2 2 1 84197.02 83398.56 1716.94 o
-1 2 1 100258.64 103039.24 2369.95 o
0 2 1 38463.76 39787.74 1225.00 o
1 2 1 54663.49 57371.68 1079.45 o
2 2 1 436.54 602.03 50.38 o
3 2 1 82731.59 81794.02 1787.82 o
4 2 1 13537.74 13660.25 416.83 o
5 2 1 651.52 628.61 146.02 o
-5 3 1 4751.67 5789.67 312.75 o
-4 3 1 1757.79 1742.64 111.30 o
-3 3 1 2666.56 2763.17 131.85 o
-2 3 1 100394.23 100430.12 2064.61 o
-1 3 1 5872.69 5378.47 130.70 o
0 3 1 125699.60 126475.92 3583.43 o
1 3 1 8365.28 8117.32 167.84 o
2 3 1 8910.90 8798.46 197.70 o
3 3 1 12162.87 11397.67 265.82 o
4 3 1 28534.11 30875.97 949.47 o
5 3 1 562.87 577.19 221.51 o
-5 4 1 5131.65 5878.37 520.21 o
-4 4 1 1988.30 2397.24 152.32 o
-3 4 1 130.27 108.90 47.30 o
-2 4 1 2502.15 2748.04 90.10 o
-1 4 1 13637.61 12989.71 286.65 o
0 4 1 46405.05 50274.53 1160.41 o
1 4 1 226655.13 235206.28 4824.28 o
2 4 1 6622.31 6812.15 161.74 o
3 4 1 22145.94 22340.38 467.88 o
4 4 1 265.98 347.40 135.20 o
5 4 1 856.62 1206.66 189.76 o
-5 5 1 38.99 56.95 166.69 o
-4 5 1 9528.37 9932.91 364.67 o
-3 5 1 9154.06 9347.34 229.55 o
-2 5 1 8357.41 8060.37 187.21 o
-1 5 1 39154.01 41543.37 791.37 o
0 5 1 5031.49 5532.40 125.35 o
1 5 1 10.59 143.95 22.52 o
2 5 1 49154.93 49086.33 943.30 o
3 5 1 353.42 462.28 62.54 o
4 5 1 858.99 1086.53 127.78 o
5 5 1 1066.30 1266.34 198.77 o
-5 6 1 2102.62 1974.44 248.46 o
-4 6 1 6716.94 7219.87 315.30 o
-3 6 1 23414.23 23770.29 540.04 o
-2 6 1 4767.95 4886.69 130.92 o
-1 6 1 5933.51 6321.58 142.10 o
0 6 1 22391.51 23955.50 498.91 o
1 6 1 4437.69 4248.26 111.76 o
2 6 1 197.33 262.13 42.44 o
3 6 1 66332.48 66023.61 1275.12 o
4 6 1 4647.17 4559.34 182.05 o
5 6 1 652.54 655.87 209.81 o
-5 7 1 3856.17 4675.70 348.08 o
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0 7 1 73990.66 74138.97 1511.13 o
1 7 1 86009.04 86757.40 1691.09 o
2 7 1 8303.35 8042.69 241.13 o
3 7 1 2446.70 2665.56 107.77 o
4 7 1 8162.98 7931.90 286.15 o
5 7 1 195.97 -174.52 174.52 o
-5 8 1 16282.36 17734.60 771.13 o
-4 8 1 2224.13 2401.02 156.02 o
-3 8 1 1523.51 1687.77 90.08 o
-2 8 1 39867.11 38707.37 756.95 o
-1 8 1 8433.66 8732.77 192.62 o
0 8 1 159773.50 158639.08 4145.01 o
1 8 1 196045.45 197297.64 3677.35 o
2 8 1 8544.02 8593.46 216.30 o
3 8 1 6862.96 6862.53 208.02 o
4 8 1 2775.46 3081.95 196.95 o
5 8 1 2070.07 2697.65 289.72 o
-5 9 1 1887.39 2480.65 283.72 o
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-3 9 1 7544.70 7553.77 202.07 o
-2 9 1 10353.88 10947.85 246.65 o
-1 9 1 31232.64 33642.47 1129.09 o
0 9 1 33071.45 32871.88 687.33 o
1 9 1 2980.97 3396.62 94.82 o
2 9 1 22270.97 23668.51 528.95 o
3 9 1 7764.43 7820.19 252.72 o
4 9 1 3086.90 2953.71 172.37 o
5 9 1 2805.36 2652.10 320.51 o
-5 10 1 746.84 451.19 204.72 o
-4 10 1 4845.58 4936.36 263.09 o
-3 10 1 2650.82 2726.05 138.66 o
-2 10 1 13017.49 13176.99 290.36 o
-1 10 1 315.09 331.60 36.95 o
0 10 1 395.25 624.69 97.39 o
1 10 1 1076.96 1500.71 71.98 o
2 10 1 79198.02 80231.61 1526.57 o
3 10 1 1664.76 1827.26 108.28 o
4 10 1 6310.63 6381.42 253.69 o
5 10 1 1404.00 1096.18 239.61 o
-5 11 1 1294.46 1725.93 259.06 o
-4 11 1 2160.73 2458.85 185.61 o
-3 11 1 5610.34 5669.80 189.85 o
-2 11 1 2216.94 2320.38 92.39 o
-1 11 1 44532.55 45210.32 889.60 o
0 11 1 84583.66 84642.48 1734.94 o
1 11 1 66138.84 62862.51 1729.29 o
2 11 1 1040.14 1007.49 82.34 o
3 11 1 715.47 645.39 91.97 o
4 11 1 275.47 286.22 126.71 o
5 11 1 2350.72 2585.69 441.55 o
-5 12 1 7375.07 6919.61 551.91 o
-4 12 1 11982.52 11523.17 419.45 o
-3 12 1 7703.71 7509.18 231.77 o
-2 12 1 2138.62 2376.90 106.11 o
-1 12 1 33776.52 32453.52 1014.67 o
0 12 1 10363.42 10947.52 231.23 o
1 12 1 104989.47 101932.71 2711.42 o
2 12 1 1996.57 2137.50 88.86 o
3 12 1 34480.75 33246.21 824.80 o
4 12 1 1173.32 1086.86 140.22 o
5 12 1 4554.16 5077.98 463.29 o
-5 13 1 2054.72 2016.31 252.77 o
-4 13 1 1902.43 1982.04 251.57 o
-3 13 1 186.61 233.12 76.08 o
-2 13 1 27658.53 27176.93 610.03 o
-1 13 1 1299.86 1287.17 62.55 o
0 13 1 41904.92 40612.54 783.21 o
1 13 1 2508.74 2720.06 205.55 o
2 13 1 259.43 283.01 57.90 o
3 13 1 8647.27 8541.04 318.13 o
4 13 1 8160.96 8209.09 335.19 o
5 13 1 1084.84 1421.75 244.54 o
-5 14 1 517.89 462.31 219.92 o
-4 14 1 5872.67 5480.02 338.21 o
-3 14 1 100.04 65.95 88.96 o
-2 14 1 11817.84 11121.26 324.99 o
-1 14 1 120792.00 116966.87 2402.22 o
0 14 1 51564.54 52758.25 1008.78 o
1 14 1 6869.12 7060.96 412.06 o
2 14 1 24205.79 23954.48 609.78 o
3 14 1 1577.84 1870.40 143.06 o
4 14 1 102.57 184.06 100.15 o
5 14 1 715.94 816.44 238.72 o
-5 15 1 6.67 -188.52 188.52 o
-4 15 1 3688.80 3994.46 299.75 o
-3 15 1 47684.77 46138.11 1018.19 o
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0 15 1 85748.25 84639.55 1602.42 o
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2 15 1 8629.85 8600.07 269.15 o
3 15 1 13307.04 12797.55 430.14 o
4 15 1 2591.44 2688.82 176.59 o
5 15 1 3541.68 3494.54 454.56 o
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2 16 1 38845.83 36204.50 1119.19 o
3 16 1 8715.40 7803.51 275.57 o
4 16 1 8744.21 8368.50 346.50 o
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1 17 1 28066.45 27569.44 956.99 o
2 17 1 108.27 273.23 81.43 o
3 17 1 3012.26 3110.19 173.36 o
4 17 1 396.13 405.41 135.62 o
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-3 18 1 3407.49 3335.61 179.86 o
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-1 18 1 31081.93 31089.95 765.18 o
0 18 1 1895.97 1916.22 80.33 o
1 18 1 2690.58 3076.18 131.84 o
2 18 1 8098.27 7693.59 259.57 o
3 18 1 16173.77 15654.89 464.03 o
4 18 1 201.58 146.45 143.36 o
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0 19 1 327.37 566.21 50.91 o
1 19 1 28561.48 28728.24 657.06 o
2 19 1 226.11 248.03 79.00 o
3 19 1 5604.92 5433.89 236.58 o
4 19 1 6298.25 6123.75 300.77 o
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2 23 1 2855.48 2485.08 156.68 o
3 23 1 174.96 186.47 114.89 o
4 23 1 7.92 -82.29 127.02 o
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-3 24 1 12585.23 11665.43 436.64 o
-2 24 1 8.54 102.55 93.82 o
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0 24 1 34581.09 36910.05 944.03 o
1 24 1 5832.40 6081.79 367.53 o
2 24 1 12179.83 12563.87 438.15 o
3 24 1 4950.88 4569.47 318.72 o
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-2 25 1 3608.07 3826.09 324.75 o
-1 25 1 58089.71 61617.15 2318.01 o
0 25 1 232.48 892.55 118.06 o
1 25 1 16458.31 16611.29 464.69 o
3 25 1 1374.97 1456.37 166.62 o
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