#------------------------------------------------------------------------------
#$Date: 2009-05-03 21:56:13 +0300 (Sun, 03 May 2009) $
#$Revision: 691 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2221203.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_2221203_Fobs
loop_
_publ_author_name
'Mohammadnezhad Sh., Gholamhossein'
'Amini, Mostafa M.'
'Ng, Seik Weng'
_publ_section_title
;
 Bis(\m-2-methylquinolin-8-olato)-\k^3^<i>N</i>,<i>O</i>:<i>O</i>;\k^3^<i>O</i>:<i>N</i>,<i>O</i>-bis[(acetato-\k^2^<i>O</i>,<i>O</i>')lead(II)]
;
_journal_coeditor_code           TK2364
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m260
_journal_volume                  65
_journal_year                    2009
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   13.7421
_cell_length_b                   18.0682
_cell_length_c                   18.6113
_exptl_crystal_F_000             3136.00
_reflns_d_resolution_high        0.8409
_[local]_cod_data_source_file    tk2364Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '  Pbca'
_shelx_refln_list_code           4
_shelx_F_calc_maximum            1346.55
_shelx_F_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, 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 31751.25 39143.56 2141.36 o
4 0 0 165196.78 181115.17 8051.83 o
6 0 0 430752.44 438922.16 31424.66 o
8 0 0 247166.91 234911.25 23808.08 o
10 0 0 15283.55 14216.20 2331.64 o
12 0 0 30833.65 33062.60 6941.89 o
14 0 0 241991.95 223627.61 20677.92 o
16 0 0 107.00 1962.01 5023.21 o
2 1 0 74152.37 90273.53 2945.94 o
4 1 0 439443.25 485698.59 14438.52 o
6 1 0 15135.61 17981.84 1252.21 o
8 1 0 89189.21 87460.87 4814.83 o
10 1 0 236511.73 224232.58 9598.09 o
12 1 0 5015.60 3883.47 1118.55 o
14 1 0 31507.36 30967.26 4983.66 o
16 1 0 1211.18 4638.63 3725.32 o
0 2 0 6679.59 8816.91 812.58 o
2 2 0 38502.76 44240.14 1347.57 o
4 2 0 3662.52 7202.32 971.00 o
6 2 0 4240.89 8365.46 1094.48 o
8 2 0 981.52 32.69 872.32 o
10 2 0 1087.98 -147.52 1048.04 o
12 2 0 2.10 -1630.33 1465.50 o
14 2 0 107.17 547.21 2076.97 o
16 2 0 2201.80 6138.71 3870.19 o
2 3 0 9998.04 10913.21 418.16 o
4 3 0 546376.69 601813.94 24452.52 o
6 3 0 2595.00 3834.87 863.79 o
8 3 0 76306.41 92722.18 3994.78 o
10 3 0 248221.48 245621.52 9549.51 o
12 3 0 6630.67 7420.59 1456.04 o
14 3 0 56270.84 57797.35 4500.48 o
16 3 0 1275.82 4492.13 4246.09 o
0 4 0 359759.25 347991.94 15931.63 o
2 4 0 2510.16 2677.18 220.91 o
4 4 0 147101.45 164943.83 5859.56 o
6 4 0 227772.59 232479.92 13179.44 o
8 4 0 195417.28 209242.55 8132.04 o
10 4 0 5560.61 4001.33 1036.44 o
12 4 0 87208.24 85152.74 3999.91 o
14 4 0 194517.95 194562.81 10704.39 o
16 4 0 43.30 -1045.74 1496.50 o
2 5 0 2448.03 2867.27 243.69 o
4 5 0 224284.41 248975.47 7652.10 o
6 5 0 49601.38 49505.54 2556.22 o
8 5 0 72502.45 73614.33 3337.47 o
10 5 0 88538.60 87680.34 4795.60 o
12 5 0 2581.21 3347.47 1130.52 o
14 5 0 18369.95 19756.68 2995.15 o
0 6 0 31804.79 31649.57 1635.83 o
2 6 0 16488.93 14866.33 621.46 o
4 6 0 4578.69 5906.09 396.13 o
6 6 0 25317.36 27805.95 1373.15 o
8 6 0 11144.22 14749.41 1456.90 o
10 6 0 782.76 -425.32 1538.79 o
12 6 0 1087.40 722.56 1085.52 o
14 6 0 4674.63 6478.12 1218.81 o
2 7 0 44150.47 45332.82 1500.16 o
4 7 0 455322.31 469209.84 11597.06 o
6 7 0 79.06 76.20 392.92 o
8 7 0 82371.47 84031.93 4088.47 o
10 7 0 215887.00 216267.20 8511.29 o
12 7 0 18251.87 19197.39 1966.99 o
14 7 0 53646.06 55935.32 3783.00 o
0 8 0 628988.50 646135.88 29524.07 o
2 8 0 25209.69 27376.34 1072.59 o
4 8 0 97778.16 98403.63 3110.21 o
6 8 0 222692.63 243169.11 6145.38 o
8 8 0 119507.99 131567.84 4148.58 o
10 8 0 7507.63 7412.25 793.69 o
12 8 0 14615.15 14159.01 1102.66 o
14 8 0 211632.56 208846.38 10691.02 o
2 9 0 9369.93 10893.21 595.46 o
4 9 0 138903.20 143302.70 4450.56 o
6 9 0 65386.55 66159.66 1861.80 o
8 9 0 52473.46 56737.52 1823.54 o
10 9 0 99015.63 108052.11 3781.62 o
12 9 0 11326.56 12574.78 1677.54 o
14 9 0 7047.57 6980.69 1608.73 o
0 10 0 81240.85 83223.77 4046.89 o
2 10 0 43281.25 44630.40 1657.62 o
4 10 0 7948.29 9511.36 613.24 o
6 10 0 20877.65 21100.60 996.40 o
8 10 0 31693.97 33859.86 1511.92 o
10 10 0 33846.48 35151.50 2418.30 o
12 10 0 88.75 229.88 1219.01 o
14 10 0 17062.52 18885.38 2622.93 o
2 11 0 43371.71 46255.92 1743.44 o
4 11 0 377716.28 376080.97 11354.10 o
6 11 0 8.98 -118.27 488.04 o
8 11 0 47581.47 45439.16 1861.27 o
10 11 0 174090.55 176162.11 7864.43 o
12 11 0 22079.16 29901.84 2585.69 o
14 11 0 42268.38 41434.24 4290.92 o
0 12 0 486046.75 505158.31 23192.22 o
2 12 0 37189.63 37422.00 1511.59 o
4 12 0 58121.33 57535.39 2144.75 o
6 12 0 62921.82 63041.66 2099.83 o
8 12 0 32611.77 31051.57 1499.55 o
10 12 0 177.51 188.95 1417.03 o
12 12 0 26721.49 33655.21 2680.56 o
2 13 0 2377.52 1284.34 527.89 o
4 13 0 6882.94 6937.75 678.00 o
6 13 0 43639.87 48714.34 1760.56 o
8 13 0 23686.65 26516.42 1475.82 o
10 13 0 22456.56 26465.76 2687.48 o
12 13 0 20605.80 20226.43 1980.14 o
0 14 0 54929.12 54884.80 2960.61 o
2 14 0 25494.46 25975.19 1275.10 o
4 14 0 3398.84 2840.64 644.03 o
6 14 0 26771.64 25842.21 1272.32 o
8 14 0 64270.66 71579.49 3093.40 o
10 14 0 23960.76 26165.38 2184.97 o
12 14 0 104.28 355.18 1373.05 o
2 15 0 27389.36 28196.31 1366.92 o
4 15 0 235138.36 256111.63 8522.48 o
6 15 0 238.12 -951.27 634.18 o
8 15 0 29795.31 32996.14 1933.32 o
10 15 0 120251.27 126137.66 6015.96 o
0 16 0 222287.03 233430.94 11027.86 o
2 16 0 29860.42 29458.01 1463.17 o
4 16 0 37239.55 43625.80 1899.64 o
6 16 0 78998.46 84554.02 2932.40 o
8 16 0 34547.78 36202.33 2223.45 o
10 16 0 1165.27 3082.83 1432.22 o
2 17 0 20198.01 19440.37 1182.73 o
4 17 0 6935.09 6995.87 903.94 o
6 17 0 34861.55 37206.66 1698.86 o
8 17 0 53525.31 55876.68 2953.32 o
0 18 0 62613.52 65286.40 3683.57 o
2 18 0 27056.01 29104.35 1536.78 o
4 18 0 350.17 220.86 819.16 o
6 18 0 34349.80 38702.93 1789.53 o
8 18 0 43492.04 50694.66 2833.80 o
2 19 0 9656.31 12311.66 1117.15 o
4 19 0 132574.80 144758.53 5107.70 o
6 19 0 491.79 524.87 869.30 o
0 20 0 106392.88 109798.11 5849.58 o
2 20 0 34960.21 35059.71 1803.44 o
4 20 0 20130.53 22981.98 1479.83 o
2 21 0 18027.26 18646.61 1418.62 o
1 1 1 258035.17 243324.55 6952.83 o
2 1 1 1269.17 1727.21 134.77 o
3 1 1 3593.19 3968.30 311.67 o
4 1 1 13.60 1650.76 598.24 o
5 1 1 7312.93 7727.56 550.79 o
6 1 1 8428.74 9139.35 615.66 o
7 1 1 379157.56 395023.63 9336.87 o
8 1 1 782.21 2638.43 453.56 o
9 1 1 194.05 211.62 617.26 o
10 1 1 327.50 7692.49 951.70 o
11 1 1 76174.68 69121.80 2387.84 o
12 1 1 1404.62 1700.05 1036.44 o
13 1 1 49956.43 52846.14 3405.31 o
14 1 1 281.48 4066.60 2507.91 o
15 1 1 28231.08 31688.92 3545.66 o
16 1 1 336.94 1324.25 1295.18 o
0 2 1 2987.09 9058.27 782.59 o
1 2 1 129681.28 132734.91 2726.42 o
2 2 1 16946.21 21315.43 528.83 o
3 2 1 742091.75 805001.38 18788.50 o
4 2 1 716.56 1510.55 245.05 o
5 2 1 16910.55 17873.43 841.51 o
6 2 1 950.18 1084.76 308.52 o
7 2 1 41906.48 44747.84 1378.94 o
8 2 1 687.40 856.94 567.93 o
9 2 1 9945.73 11654.37 1203.10 o
10 2 1 2339.04 1857.00 668.51 o
11 2 1 336840.03 322206.19 8699.67 o
12 2 1 840.56 -167.36 948.73 o
13 2 1 178.84 246.58 1378.66 o
14 2 1 678.74 1262.78 1869.68 o
15 2 1 95298.66 102556.04 6136.50 o
16 2 1 4133.21 5171.82 1360.29 o
1 3 1 208574.14 218886.48 4222.03 o
2 3 1 5132.91 5501.63 170.67 o
3 3 1 4573.66 6117.03 231.46 o
4 3 1 933.90 3645.81 525.95 o
5 3 1 37879.05 42708.01 1429.82 o
6 3 1 12626.79 14989.15 668.27 o
7 3 1 254992.28 266868.38 6364.69 o
8 3 1 2329.02 4016.85 580.42 o
9 3 1 3681.01 5224.15 710.49 o
10 3 1 3716.74 11652.22 2216.20 o
11 3 1 74059.66 71222.84 2462.23 o
12 3 1 1325.77 1877.31 806.81 o
13 3 1 56913.75 54365.26 2429.01 o
14 3 1 170.56 5041.05 1603.29 o
15 3 1 9543.68 10612.57 2026.36 o
16 3 1 70.07 279.57 1260.13 o
0 4 1 9578.33 11771.66 468.14 o
1 4 1 14278.90 17081.14 510.82 o
2 4 1 579.66 869.04 105.42 o
3 4 1 12901.48 15047.89 372.69 o
4 4 1 749.71 1776.96 382.22 o
5 4 1 51011.07 61151.95 1619.08 o
6 4 1 2624.31 6094.94 620.91 o
7 4 1 1130.47 1523.15 366.01 o
8 4 1 533.79 5484.18 1067.77 o
9 4 1 846.19 762.19 621.88 o
10 4 1 307.86 264.47 641.10 o
11 4 1 8354.05 8321.73 986.23 o
12 4 1 26.79 4633.57 1039.59 o
13 4 1 10130.95 10777.21 1249.98 o
14 4 1 39.08 19950.13 2376.40 o
15 4 1 167.35 -292.98 887.29 o
16 4 1 58.75 -269.86 1229.05 o
1 5 1 187808.36 185144.23 3928.01 o
2 5 1 806.40 958.96 126.25 o
3 5 1 6815.10 8350.89 255.75 o
4 5 1 2351.61 4889.13 283.37 o
5 5 1 713.52 537.94 176.05 o
6 5 1 4861.08 5694.79 378.91 o
7 5 1 536481.38 541626.75 13642.55 o
8 5 1 2159.90 4200.20 750.78 o
9 5 1 748.51 1384.76 611.63 o
10 5 1 26.72 2947.77 1088.36 o
11 5 1 75271.43 70957.16 2446.49 o
12 5 1 13985.60 14567.16 865.07 o
13 5 1 45017.09 43146.01 1788.27 o
14 5 1 67.43 1639.98 1040.58 o
15 5 1 38442.36 42098.55 2166.86 o
0 6 1 1535.44 2300.38 201.78 o
1 6 1 78831.02 77238.64 1686.28 o
2 6 1 13263.31 13749.68 401.09 o
3 6 1 736878.50 753071.44 13825.02 o
4 6 1 9965.69 11656.71 337.60 o
5 6 1 10256.39 12246.76 388.65 o
6 6 1 33.44 205.92 216.19 o
7 6 1 45203.84 46469.90 1519.55 o
8 6 1 2386.06 4120.14 554.70 o
9 6 1 15337.87 17171.56 835.41 o
10 6 1 5814.94 5896.72 616.51 o
11 6 1 188429.66 191138.84 4860.42 o
12 6 1 8191.16 8212.64 746.75 o
13 6 1 36.74 114.17 637.17 o
14 6 1 399.58 28.10 934.92 o
15 6 1 97864.67 97723.95 3560.42 o
1 7 1 30763.30 27205.04 729.79 o
2 7 1 3033.90 3825.14 235.67 o
3 7 1 11544.15 11196.77 385.50 o
4 7 1 406.31 835.23 466.86 o
5 7 1 42986.73 42776.97 988.12 o
6 7 1 7009.71 7989.47 389.36 o
7 7 1 216585.13 227696.64 5613.77 o
8 7 1 5078.00 6938.58 1152.84 o
9 7 1 10766.71 13669.51 910.80 o
10 7 1 140.93 9152.33 1496.80 o
11 7 1 70258.00 69820.48 2138.03 o
12 7 1 2355.65 2943.96 842.91 o
13 7 1 10493.92 12180.61 978.31 o
14 7 1 74.81 2578.67 1349.30 o
15 7 1 4174.36 4954.20 2026.80 o
0 8 1 25600.59 37797.00 1177.41 o
1 8 1 32268.91 34664.18 911.56 o
2 8 1 54.47 428.70 205.14 o
3 8 1 48482.21 49661.27 1179.47 o
4 8 1 43.97 2374.22 575.61 o
5 8 1 24752.49 23346.95 621.17 o
6 8 1 623.88 3559.28 516.16 o
7 8 1 10279.31 12469.05 551.90 o
8 8 1 1399.67 4436.19 931.63 o
9 8 1 4846.67 5415.11 595.41 o
10 8 1 1178.88 619.55 550.46 o
11 8 1 37155.63 39109.71 1660.61 o
12 8 1 4.91 117.33 627.50 o
13 8 1 10065.65 12322.76 1101.72 o
14 8 1 19.81 9303.92 4156.37 o
15 8 1 1526.87 2883.29 1770.90 o
1 9 1 274626.41 282892.13 6523.65 o
2 9 1 6788.91 7309.36 352.69 o
3 9 1 4019.06 4334.82 308.16 o
4 9 1 3.50 3057.08 641.40 o
5 9 1 23561.97 24383.39 653.35 o
6 9 1 2736.35 4749.44 491.36 o
7 9 1 371615.22 390984.16 7958.00 o
8 9 1 2503.09 4543.08 551.73 o
9 9 1 2400.61 2284.61 645.24 o
10 9 1 20.29 3452.37 1244.13 o
11 9 1 57284.25 61637.15 2263.67 o
12 9 1 288.75 1329.14 848.93 o
13 9 1 66948.52 65003.90 3640.75 o
14 9 1 31.95 135.17 1298.49 o
0 10 1 1896.94 2368.29 401.58 o
1 10 1 105334.65 105209.19 2322.32 o
2 10 1 11823.50 12799.95 553.04 o
3 10 1 536058.00 544257.19 11964.72 o
4 10 1 4921.19 5480.71 366.22 o
5 10 1 22309.59 22954.87 732.88 o
6 10 1 147.40 705.14 289.04 o
7 10 1 23844.95 25436.90 770.78 o
8 10 1 664.73 2225.59 533.09 o
9 10 1 2072.73 1773.13 561.30 o
10 10 1 251.26 1917.29 876.35 o
11 10 1 170595.06 175826.61 5203.14 o
12 10 1 162.70 455.79 866.58 o
13 10 1 752.40 -118.80 907.68 o
14 10 1 228.30 2114.23 1235.29 o
1 11 1 20325.32 20994.72 631.29 o
2 11 1 4633.01 6163.15 379.96 o
3 11 1 9658.85 10741.79 476.97 o
4 11 1 3321.07 9589.74 2069.37 o
5 11 1 57827.01 54789.24 1329.85 o
6 11 1 933.25 769.80 351.28 o
7 11 1 82452.35 81117.04 1915.13 o
8 11 1 1166.33 4150.23 474.47 o
9 11 1 25706.78 27689.75 1185.19 o
10 11 1 2642.60 9625.49 1110.77 o
11 11 1 25363.20 29756.90 1497.02 o
12 11 1 776.19 1849.62 945.01 o
13 11 1 14137.65 16293.04 1278.94 o
14 11 1 99.38 2564.59 1160.02 o
0 12 1 268.23 6376.53 1097.23 o
1 12 1 6510.34 6101.14 345.75 o
2 12 1 3830.94 4532.61 382.55 o
3 12 1 67976.30 67511.74 1726.64 o
4 12 1 4.71 2097.26 365.30 o
5 12 1 52001.11 53066.88 1352.24 o
6 12 1 1701.76 5486.40 808.19 o
7 12 1 2302.86 2575.94 436.74 o
8 12 1 977.63 2605.06 704.32 o
9 12 1 10103.03 12840.44 939.56 o
10 12 1 10.93 961.02 893.88 o
11 12 1 20834.22 26101.46 1473.57 o
12 12 1 347.65 1664.72 920.26 o
13 12 1 25486.72 30901.81 1671.87 o
1 13 1 112707.09 116106.92 2593.43 o
2 13 1 2484.59 2921.45 331.25 o
3 13 1 41.64 319.36 360.96 o
4 13 1 831.97 1158.79 389.74 o
5 13 1 4522.71 4522.88 460.64 o
6 13 1 7424.53 10216.43 870.45 o
7 13 1 242715.36 246857.45 5003.80 o
8 13 1 7299.78 9722.98 687.53 o
9 13 1 3680.95 5204.69 799.82 o
10 13 1 1319.54 3442.33 799.74 o
11 13 1 55326.48 57648.20 2405.71 o
12 13 1 2563.76 3078.36 1053.96 o
0 14 1 311.91 1540.20 562.22 o
1 14 1 52441.19 53624.19 1462.42 o
2 14 1 8376.34 8742.02 527.82 o
3 14 1 236878.67 242851.72 5271.05 o
4 14 1 419.69 740.24 421.57 o
5 14 1 79.36 -40.77 434.38 o
6 14 1 43.17 1214.36 491.98 o
7 14 1 14622.19 16152.01 697.92 o
8 14 1 4421.83 8870.45 1000.50 o
9 14 1 1319.15 1519.49 743.75 o
10 14 1 910.20 2014.51 808.07 o
11 14 1 92829.71 94422.70 3418.16 o
12 14 1 829.57 1152.44 977.49 o
1 15 1 5.21 234.23 416.92 o
2 15 1 799.01 1301.23 439.03 o
3 15 1 22962.21 25191.77 918.63 o
4 15 1 811.13 6636.95 994.13 o
5 15 1 33289.22 35744.79 1170.04 o
6 15 1 921.23 954.18 470.35 o
7 15 1 13518.05 15366.77 720.87 o
8 15 1 1139.05 3390.04 638.85 o
9 15 1 52245.19 55362.69 2076.67 o
10 15 1 588.18 6359.74 1080.98 o
11 15 1 11993.33 15462.39 1346.18 o
0 16 1 395.99 5291.94 852.81 o
1 16 1 10687.14 11018.16 636.90 o
2 16 1 120.69 844.13 474.18 o
3 16 1 58476.80 63789.94 1751.09 o
4 16 1 28.81 2075.35 511.77 o
5 16 1 34948.52 40896.41 1310.67 o
6 16 1 17.52 2547.32 548.31 o
7 16 1 8266.02 9383.31 717.14 o
8 16 1 871.36 2782.42 814.83 o
9 16 1 9635.16 11966.63 1046.08 o
10 16 1 45.82 355.41 849.52 o
1 17 1 83963.92 89375.69 2321.42 o
2 17 1 1021.04 1701.71 535.89 o
3 17 1 180.88 295.74 517.58 o
4 17 1 375.10 252.33 523.78 o
5 17 1 866.11 729.25 553.06 o
6 17 1 1177.78 4177.71 704.37 o
7 17 1 172063.05 185952.02 4661.42 o
8 17 1 85.13 1310.49 774.68 o
9 17 1 2120.15 2735.44 835.82 o
0 18 1 1745.89 5168.74 866.33 o
1 18 1 48436.00 51582.91 1553.79 o
2 18 1 782.86 1940.04 574.14 o
3 18 1 116513.02 123636.20 3112.61 o
4 18 1 288.07 -137.29 567.11 o
5 18 1 837.55 1509.40 610.10 o
6 18 1 121.85 2084.14 591.90 o
7 18 1 10776.18 12400.42 879.96 o
8 18 1 1185.97 4546.50 885.88 o
1 19 1 2856.24 3486.24 641.49 o
2 19 1 214.94 208.82 601.70 o
3 19 1 31768.93 33700.63 1215.55 o
4 19 1 708.65 7331.76 1584.56 o
5 19 1 25877.17 25978.66 1079.15 o
6 19 1 246.28 847.08 693.27 o
7 19 1 8268.23 10543.17 1014.52 o
0 20 1 897.46 5502.58 1136.03 o
1 20 1 6612.01 6976.31 757.10 o
2 20 1 19.28 1102.36 669.83 o
3 20 1 42245.80 48072.52 1582.54 o
4 20 1 72.05 1514.93 699.60 o
5 20 1 41077.31 40480.87 1458.25 o
1 21 1 57227.36 60775.53 1870.03 o
2 21 1 198.43 1331.87 721.74 o
3 21 1 31.24 6.81 704.32 o
0 0 2 1547548.75 1246321.13 38196.66 o
1 0 2 6991.84 6908.48 1102.91 o
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