#------------------------------------------------------------------------------
#$Date: 2012-09-11 12:26:43 +0300 (Tue, 11 Sep 2012) $
#$Revision: 66590 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/49/2234928.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_2234928_Fobs
loop_
_publ_author_name
'Sabour, Behrous'
'Najafi, Ezzatollah'
'Amini, Mostafa M.'
'Ng, Seik Weng'
_publ_section_title
;
 <i>catena</i>-Poly[[(2,9-dimethyl-1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')lead(II)]-di-\m-bromido]
;
_journal_coeditor_code           BT5905
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m729
_journal_volume                  68
_journal_year                    2012
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 112.346
_cell_angle_gamma                90.000
_cell_length_a                   18.3852
_cell_length_b                   11.8312
_cell_length_c                   7.4609
_exptl_crystal_F_000             1048.00
_reflns_d_resolution_high        0.7681
_[local]_cod_data_source_file    bt5905Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '  C2/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            729.48
_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+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
2 0 0 189282.84 146552.70 3952.64 o
4 0 0 3373.61 3161.51 333.11 o
6 0 0 14172.07 15268.80 906.51 o
8 0 0 36280.71 40345.43 1809.55 o
10 0 0 110396.24 119855.21 4105.21 o
12 0 0 78945.93 91045.10 3444.11 o
14 0 0 8882.89 11124.63 1001.26 o
16 0 0 3242.30 3424.85 557.21 o
18 0 0 10034.02 12197.08 1149.63 o
20 0 0 27904.87 36715.28 2179.55 o
22 0 0 21506.51 21594.72 1661.58 o
3 1 0 34529.57 34604.61 798.93 o
5 1 0 2525.42 2945.11 224.21 o
7 1 0 21960.56 25428.59 882.55 o
9 1 0 100326.97 104739.23 2534.58 o
11 1 0 82813.95 91956.69 2400.23 o
13 1 0 17199.34 20374.01 962.86 o
15 1 0 2217.41 2543.45 350.14 o
17 1 0 7481.83 8932.89 675.54 o
19 1 0 20538.58 21444.06 1118.12 o
21 1 0 17210.60 21332.35 1593.19 o
0 2 0 18761.21 18635.46 593.30 o
2 2 0 16329.75 17074.29 423.31 o
4 2 0 3915.38 4211.86 216.03 o
6 2 0 3098.11 3384.10 240.47 o
8 2 0 7432.35 7448.81 432.38 o
10 2 0 7623.10 7760.01 498.59 o
12 2 0 3955.33 3618.76 372.00 o
14 2 0 928.05 1004.88 226.98 o
16 2 0 347.99 163.70 220.93 o
18 2 0 1968.12 2196.07 350.57 o
20 2 0 2414.60 2881.61 410.05 o
1 3 0 33947.82 34146.93 499.95 o
3 3 0 99.34 149.29 39.52 o
5 3 0 437.65 472.45 86.86 o
7 3 0 1759.78 1780.08 190.95 o
9 3 0 14112.40 13749.24 619.16 o
11 3 0 21107.20 20880.30 878.80 o
13 3 0 3942.87 3662.27 377.84 o
15 3 0 16.14 131.13 158.98 o
17 3 0 420.25 759.33 223.28 o
19 3 0 3188.75 3602.01 451.27 o
21 3 0 3782.28 4308.66 515.86 o
0 4 0 187042.77 171223.30 2600.19 o
2 4 0 78805.47 75923.40 1331.99 o
4 4 0 17377.00 18235.87 344.70 o
6 4 0 7000.67 7382.96 289.79 o
8 4 0 35077.04 34462.01 1022.75 o
10 4 0 98986.80 94378.44 2328.65 o
12 4 0 32281.78 31485.15 1153.87 o
14 4 0 321.87 172.04 113.53 o
16 4 0 989.80 872.84 264.31 o
18 4 0 10708.29 11415.31 792.77 o
20 4 0 20395.32 22461.72 1415.54 o
1 5 0 179054.67 168723.56 1695.35 o
3 5 0 28275.89 28584.73 462.45 o
5 5 0 764.81 983.63 76.11 o
7 5 0 23684.65 24066.05 554.05 o
9 5 0 88008.59 89328.54 1510.37 o
11 5 0 82597.13 81148.48 3411.57 o
13 5 0 47329.20 47485.28 2162.25 o
15 5 0 7973.66 8353.86 607.90 o
17 5 0 4707.41 4169.68 391.11 o
19 5 0 24801.55 26003.37 1065.59 o
0 6 0 74753.55 73539.88 1240.29 o
2 6 0 60341.24 60955.66 758.55 o
4 6 0 20002.06 20092.48 387.19 o
6 6 0 10830.10 10899.30 323.89 o
8 6 0 33203.98 33484.83 664.25 o
10 6 0 43365.08 42181.54 1267.73 o
12 6 0 20057.62 19002.95 1253.89 o
14 6 0 4978.88 4353.51 432.14 o
16 6 0 3248.73 2967.22 692.58 o
18 6 0 9364.19 9760.68 753.58 o
20 6 0 12538.56 12057.60 1213.25 o
1 7 0 845.43 914.04 53.79 o
3 7 0 5293.36 5300.14 148.82 o
5 7 0 8662.25 8846.92 250.21 o
7 7 0 5115.48 5001.71 256.54 o
9 7 0 2267.73 2438.08 255.73 o
11 7 0 909.16 1035.05 185.00 o
13 7 0 1207.22 1673.57 260.51 o
15 7 0 2695.35 2973.31 386.57 o
17 7 0 2338.38 2200.57 349.56 o
19 7 0 1002.52 806.82 229.16 o
0 8 0 47889.53 47632.42 1017.94 o
2 8 0 14224.29 14720.87 275.97 o
4 8 0 682.12 705.51 59.26 o
6 8 0 1111.29 1224.82 121.15 o
8 8 0 3926.13 3756.96 400.05 o
10 8 0 16054.13 14827.85 810.20 o
12 8 0 7291.37 8024.38 531.86 o
14 8 0 18.63 139.75 153.32 o
16 8 0 571.23 488.68 192.11 o
18 8 0 482.19 611.55 228.97 o
1 9 0 42400.27 42918.75 857.49 o
3 9 0 17397.87 17302.71 375.15 o
5 9 0 248.27 306.51 52.51 o
7 9 0 9078.99 8701.66 354.67 o
9 9 0 56993.91 55939.48 1608.03 o
11 9 0 44924.63 42938.38 1863.38 o
13 9 0 9539.02 9493.03 811.01 o
15 9 0 406.71 394.26 159.27 o
17 9 0 3230.44 2989.91 410.19 o
0 10 0 104393.97 104802.69 3343.57 o
2 10 0 50468.35 50723.64 1008.29 o
4 10 0 8894.16 8961.67 260.39 o
6 10 0 7636.07 7487.31 242.81 o
8 10 0 24754.83 24520.84 835.20 o
10 10 0 39907.91 38141.86 1463.74 o
12 10 0 25755.12 25429.89 1075.46 o
14 10 0 7170.36 6825.74 550.20 o
16 10 0 3505.20 3093.39 712.32 o
1 11 0 19504.68 18971.96 555.08 o
3 11 0 11399.43 11823.03 375.15 o
5 11 0 11150.56 11225.69 396.90 o
7 11 0 12084.38 11495.78 437.13 o
9 11 0 15323.99 15459.76 748.12 o
11 11 0 15063.30 14491.62 762.23 o
13 11 0 8182.88 8582.80 617.35 o
15 11 0 6360.87 6606.48 575.12 o
0 12 0 171.70 159.52 155.92 o
2 12 0 609.49 733.99 163.12 o
4 12 0 6551.94 6433.46 441.85 o
6 12 0 7289.51 6953.66 389.46 o
8 12 0 1370.48 1498.73 496.36 o
10 12 0 8.39 14.27 122.91 o
12 12 0 151.62 0.65 124.40 o
1 13 0 13647.75 15316.85 978.58 o
3 13 0 368.25 280.14 227.90 o
5 13 0 2800.51 2495.42 289.71 o
7 13 0 38.79 381.20 163.90 o
9 13 0 7513.17 8241.00 573.77 o
11 13 0 8381.25 8477.74 609.16 o
0 14 0 30145.00 30720.29 1627.85 o
2 14 0 15196.38 16466.34 803.65 o
4 14 0 3493.49 3611.18 364.39 o
6 14 0 2660.24 2636.01 486.14 o
8 14 0 10161.35 10392.46 658.97 o
1 15 0 19947.81 20733.29 951.08 o
3 15 0 9028.29 9413.74 1143.99 o
5 15 0 5292.90 5317.52 892.49 o
-21 1 1 1603.74 1719.02 917.51 o
-19 1 1 15378.61 17980.36 989.36 o
-17 1 1 21676.96 24873.18 1149.67 o
-15 1 1 6398.56 7656.56 966.04 o
-13 1 1 1056.07 837.76 403.55 o
-11 1 1 3151.94 2630.91 295.58 o
-9 1 1 47095.32 49855.36 1159.86 o
-7 1 1 77665.57 76057.52 1361.18 o
-5 1 1 3850.08 3761.06 184.24 o
-3 1 1 13183.81 13693.26 386.35 o
-1 1 1 38100.78 38449.63 533.27 o
1 1 1 32483.81 33306.29 459.19 o
3 1 1 108081.14 103871.02 1769.54 o
5 1 1 18515.71 18891.35 693.53 o
7 1 1 441.13 866.24 180.50 o
9 1 1 5577.65 5598.83 696.94 o
11 1 1 27773.62 31392.82 2022.48 o
13 1 1 34488.23 40451.51 1475.65 o
15 1 1 10046.17 11243.47 748.09 o
17 1 1 140.55 242.07 209.08 o
19 1 1 1468.61 1908.08 343.60 o
21 1 1 4436.58 4868.28 550.75 o
-22 2 1 3031.67 2997.44 526.35 o
-20 2 1 23785.18 24512.04 1205.56 o
-18 2 1 49010.88 54347.98 1878.61 o
-16 2 1 28193.71 30877.23 1270.64 o
-14 2 1 3864.05 4413.72 455.93 o
-12 2 1 5855.38 6529.23 341.69 o
-10 2 1 67765.56 67788.95 1391.45 o
-8 2 1 180645.48 181774.16 4157.25 o
-6 2 1 125211.98 123498.12 2047.51 o
-4 2 1 9712.28 9662.65 254.65 o
-2 2 1 617.31 624.26 36.56 o
0 2 1 84501.55 82591.32 981.96 o
2 2 1 258562.19 236562.00 3098.47 o
4 2 1 150997.08 147700.67 2866.71 o
6 2 1 17101.10 17300.99 552.88 o
8 2 1 3440.94 4085.82 352.70 o
10 2 1 30190.72 32632.29 988.22 o
12 2 1 72650.66 74225.61 5649.77 o
14 2 1 50946.38 55887.47 1853.79 o
16 2 1 10804.23 11600.76 785.06 o
18 2 1 1555.63 1137.58 254.24 o
20 2 1 6491.35 8548.39 722.75 o
-21 3 1 8671.49 9215.94 1309.46 o
-19 3 1 35902.28 36425.00 1496.76 o
-17 3 1 35673.35 36177.23 1432.78 o
-15 3 1 10199.27 10196.63 663.90 o
-13 3 1 4704.62 4322.21 393.41 o
-11 3 1 22289.46 22588.37 715.15 o
-9 3 1 107694.64 107456.00 1711.49 o
-7 3 1 166499.00 164676.13 2682.72 o
-5 3 1 41467.23 41379.65 784.94 o
-3 3 1 1580.68 1620.25 87.08 o
-1 3 1 17633.13 16948.27 265.81 o
1 3 1 138785.42 131701.30 1579.85 o
3 3 1 210957.53 200818.59 2696.71 o
5 3 1 55436.88 57616.70 980.68 o
7 3 1 5856.99 6134.88 304.78 o
9 3 1 14977.90 15245.88 818.28 o
11 3 1 43215.43 42548.46 1425.76 o
13 3 1 56248.29 54567.83 3696.08 o
15 3 1 26044.46 28039.18 1588.05 o
17 3 1 3558.42 3988.82 553.93 o
19 3 1 4308.23 4737.31 527.07 o
-22 4 1 2030.01 2146.13 380.60 o
-20 4 1 4808.84 4558.19 512.14 o
-18 4 1 9752.19 9089.15 685.55 o
-16 4 1 14199.63 13564.46 799.01 o
-14 4 1 3571.92 3335.13 364.41 o
-12 4 1 2989.59 2557.75 286.64 o
-10 4 1 19970.08 20112.06 750.81 o
-8 4 1 29666.65 30173.18 728.44 o
-6 4 1 27452.11 27581.59 619.55 o
-4 4 1 20045.84 20189.65 453.45 o
-2 4 1 8942.55 8844.06 207.81 o
0 4 1 42934.17 43287.46 593.40 o
2 4 1 43692.23 43431.09 623.06 o
4 4 1 24341.71 24511.42 499.44 o
6 4 1 12099.19 12829.55 375.82 o
8 4 1 2821.84 3113.77 230.03 o
10 4 1 10319.37 10726.44 493.70 o
12 4 1 25593.28 26322.21 1093.23 o
14 4 1 10004.35 9604.56 780.75 o
16 4 1 3095.84 3021.44 396.83 o
18 4 1 2136.58 2596.19 404.71 o
20 4 1 2079.69 2809.10 370.03 o
-21 5 1 31.12 20.52 116.24 o
-19 5 1 1270.03 1176.49 218.74 o
-17 5 1 87.30 84.33 137.87 o
-15 5 1 2143.00 2290.95 261.65 o
-13 5 1 1074.96 1025.44 154.98 o
-11 5 1 201.57 159.11 98.34 o
-9 5 1 1966.82 1880.57 198.27 o
-7 5 1 8326.02 9039.01 393.10 o
-5 5 1 248.19 276.16 46.60 o
-3 5 1 4880.01 4936.14 125.93 o
-1 5 1 1581.21 1634.72 75.51 o
1 5 1 1409.68 1518.78 75.93 o
3 5 1 12321.44 13305.67 288.82 o
5 5 1 7.89 48.33 38.77 o
7 5 1 2567.79 2322.10 186.19 o
9 5 1 479.08 562.47 116.59 o
11 5 1 350.94 92.36 106.49 o
13 5 1 494.13 489.85 151.20 o
15 5 1 504.93 271.03 145.66 o
17 5 1 718.26 537.20 225.80 o
19 5 1 110.34 299.79 208.16 o
-20 6 1 7237.52 6114.55 612.15 o
-18 6 1 18384.68 18328.51 1020.36 o
-16 6 1 19896.46 19465.29 982.08 o
-14 6 1 903.41 1022.02 207.30 o
-12 6 1 107.77 58.06 88.55 o
-10 6 1 22714.67 22708.86 1103.99 o
-8 6 1 54494.45 52777.27 1342.14 o
-6 6 1 23417.03 23020.65 453.71 o
-4 6 1 2178.76 2264.78 93.53 o
-2 6 1 459.38 551.01 57.11 o
0 6 1 28824.88 28213.95 455.40 o
2 6 1 57703.26 55782.29 797.41 o
4 6 1 37507.22 37412.43 697.23 o
6 6 1 2867.22 2784.54 215.15 o
8 6 1 760.19 632.85 141.05 o
10 6 1 12487.72 12456.48 898.87 o
12 6 1 48268.08 46202.38 1534.69 o
14 6 1 17656.89 17251.29 933.39 o
16 6 1 1750.55 1601.08 321.33 o
18 6 1 80.37 169.25 176.33 o
-19 7 1 27665.90 26969.37 1306.77 o
-17 7 1 32011.30 31065.78 2818.85 o
-15 7 1 8241.89 9009.94 693.62 o
-13 7 1 1440.22 1181.52 200.70 o
-11 7 1 14905.46 15219.20 678.62 o
-9 7 1 75691.65 72751.21 1449.32 o
-7 7 1 102845.27 103215.80 1584.50 o
-5 7 1 31773.21 31395.33 482.65 o
-3 7 1 1791.80 1915.57 110.83 o
-1 7 1 14317.28 14735.44 345.86 o
1 7 1 99112.02 96360.25 1153.36 o
3 7 1 121956.37 119821.70 1576.39 o
5 7 1 34942.36 35507.39 706.37 o
7 7 1 2872.91 2703.95 269.75 o
9 7 1 6683.86 6449.66 351.04 o
11 7 1 35939.81 33947.71 1213.62 o
13 7 1 49531.50 47918.61 1629.49 o
15 7 1 18505.32 18537.24 1198.76 o
17 7 1 2286.67 1987.66 350.87 o
-18 8 1 19574.00 19218.70 1043.21 o
-16 8 1 17341.75 16850.01 898.70 o
-14 8 1 5831.05 6102.81 487.98 o
-12 8 1 7727.79 7640.58 405.08 o
-10 8 1 35581.83 34027.00 914.94 o
-8 8 1 63667.70 63600.14 1263.99 o
-6 8 1 55245.06 54575.74 827.20 o
-4 8 1 17230.86 17504.65 420.38 o
-2 8 1 6168.97 6215.59 218.09 o
0 8 1 45035.23 44260.16 778.53 o
2 8 1 86136.20 85372.59 1036.68 o
4 8 1 52556.16 53176.86 941.65 o
6 8 1 18893.13 18808.83 963.64 o
8 8 1 7373.65 6796.46 347.76 o
10 8 1 17610.58 17154.44 790.77 o
12 8 1 33738.66 32107.83 1225.88 o
14 8 1 19748.85 20512.70 1029.02 o
16 8 1 8230.26 8034.23 680.43 o
-17 9 1 5640.88 5143.63 507.00 o
-15 9 1 6531.74 5872.07 500.16 o
-13 9 1 7715.71 7156.16 510.04 o
-11 9 1 7894.72 7804.55 495.61 o
-9 9 1 8093.63 7717.38 340.63 o
-7 9 1 9674.90 9693.17 296.18 o
-5 9 1 9745.30 9823.70 249.99 o
-3 9 1 7992.93 8344.52 273.99 o
-1 9 1 8393.34 8505.26 272.71 o
1 9 1 10059.42 10182.45 265.51 o
3 9 1 9852.19 9456.73 260.63 o
5 9 1 9124.86 9022.20 450.23 o
7 9 1 10171.45 9670.87 529.71 o
9 9 1 9863.64 9526.24 562.77 o
11 9 1 7758.88 8109.04 555.18 o
13 9 1 6368.57 6441.29 534.39 o
15 9 1 4809.02 5009.65 847.15 o
-16 10 1 46.64 120.26 234.84 o
-14 10 1 2456.70 2195.42 309.19 o
-12 10 1 932.81 945.04 206.44 o
-10 10 1 2050.65 2113.10 258.57 o
-8 10 1 4323.36 4309.00 200.04 o
-6 10 1 1795.48 1730.27 97.50 o
-4 10 1 4252.65 4072.53 225.23 o
-2 10 1 19620.70 19287.41 581.66 o
0 10 1 1.71 5.37 49.63 o
2 10 1 7602.94 7929.55 319.00 o
4 10 1 1680.76 1762.82 154.48 o
6 10 1 96.58 -44.39 101.99 o
8 10 1 2271.95 2225.02 270.37 o
10 10 1 212.27 241.39 197.36 o
12 10 1 1913.41 1990.95 300.51 o
14 10 1 1235.82 1851.57 308.93 o
-15 11 1 2553.20 2211.99 324.11 o
-13 11 1 150.91 -18.05 128.75 o
-11 11 1 1126.74 1225.64 167.44 o
-9 11 1 22861.67 21866.90 686.59 o
-7 11 1 29645.27 29610.46 788.55 o
-5 11 1 4541.49 4478.48 248.98 o
-3 11 1 374.50 407.18 96.44 o
-1 11 1 5222.17 5349.92 258.79 o
1 11 1 24549.16 24359.99 878.33 o
3 11 1 35224.48 35153.05 843.21 o
5 11 1 7165.47 7394.66 298.96 o
7 11 1 574.29 412.30 124.48 o
9 11 1 349.91 339.47 148.43 o
11 11 1 14144.19 13337.83 1054.28 o
13 11 1 18514.31 18118.65 1025.45 o
-14 12 1 3001.91 3088.86 559.76 o
-12 12 1 3641.87 3423.91 286.93 o
-10 12 1 19540.99 18721.42 657.83 o
-8 12 1 40571.87 40822.86 1012.24 o
-6 12 1 30082.48 29251.76 884.89 o
-4 12 1 6614.61 6700.45 308.97 o
-2 12 1 3259.05 3337.77 206.94 o
0 12 1 22641.85 23156.74 1331.37 o
2 12 1 50052.62 49677.52 1458.03 o
4 12 1 31259.50 30492.31 1181.37 o
6 12 1 7490.42 6994.58 494.26 o
8 12 1 3093.46 2680.30 346.88 o
10 12 1 11062.86 10091.80 656.30 o
12 12 1 25308.54 23382.38 1258.22 o
-11 13 1 8988.35 9360.87 619.38 o
-9 13 1 17779.96 17166.37 832.83 o
-7 13 1 22011.82 22898.15 1154.52 o
-5 13 1 11495.17 12201.11 657.33 o
-3 13 1 7803.38 7524.24 675.55 o
-1 13 1 10692.53 10789.56 604.28 o
1 13 1 17639.26 17452.83 794.45 o
3 13 1 23883.52 23438.75 952.30 o
5 13 1 14207.25 14508.11 747.70 o
7 13 1 7854.33 8841.84 754.08 o
9 13 1 11586.29 11002.77 692.29 o
-8 14 1 2372.32 2361.24 386.96 o
-6 14 1 5621.97 5654.17 712.49 o
-4 14 1 9479.87 9491.40 594.86 o
-2 14 1 10032.48 11101.31 643.71 o
0 14 1 5945.56 6373.09 480.40 o
2 14 1 3715.85 3862.72 375.36 o
4 14 1 3402.06 4076.14 397.00 o
6 14 1 5310.24 5095.09 730.52 o
8 14 1 7286.51 8198.53 666.85 o
-5 15 1 5.15 74.93 113.63 o
-3 15 1 3834.03 4883.36 444.56 o
-1 15 1 1077.86 879.27 197.79 o
1 15 1 2607.04 2819.86 467.29 o
3 15 1 5990.75 6431.31 732.17 o
-22 0 2 1074.36 1114.78 402.33 o
-20 0 2 3172.01 3853.75 635.76 o
-18 0 2 26351.24 29325.63 1773.68 o
-16 0 2 82074.33 95928.09 3672.18 o
-14 0 2 47460.41 52744.75 2378.05 o
-12 0 2 2990.50 2904.26 454.13 o
-10 0 2 6408.19 6439.73 416.53 o
-8 0 2 46697.93 47558.65 1248.75 o
-6 0 2 255127.03 252967.53 4737.26 o
-4 0 2 532137.94 487429.81 7168.93 o
-2 0 2 36786.55 37067.09 610.68 o
0 0 2 521.08 599.62 43.67 o
2 0 2 68325.34 68514.20 1234.69 o
4 0 2 104710.84 100625.57 2288.44 o
6 0 2 98517.84 93928.53 5591.37 o
8 0 2 30580.32 34156.48 1297.22 o
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