#------------------------------------------------------------------------------
#$Date: 2016-04-03 00:21:00 +0300 (Sun, 03 Apr 2016) $
#$Revision: 181008 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/88/2208808.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_2208808_Fobs
loop_
_publ_author_name
'Billing, David G.'
'Lemmerer, Andreas'
_publ_section_title
;
 Bis(propane-1,2-diammonium) hexaiodoplumbate(II) trihydrate
;
_journal_coeditor_code           BT2054
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1103
_journal_page_last               m1105
_journal_volume                  62
_journal_year                    2006
_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                 105.664
_cell_angle_gamma                90.000
_cell_length_a                   15.0929
_cell_length_b                   9.2971
_cell_length_c                   19.1420
_exptl_crystal_F_000             2072.00
_reflns_d_resolution_high        0.7570
_cod_data_source_file            bt2054Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' 4as52l_a in C2/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            1213.46
_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 69228.06 68394.80 1822.63 o
4 0 0 546848.19 526555.63 16892.68 o
6 0 0 67960.27 60738.64 2064.91 o
8 0 0 413588.34 397220.31 9437.02 o
10 0 0 32320.35 32661.85 579.23 o
12 0 0 3930.48 4800.95 683.66 o
14 0 0 7343.54 7956.54 859.46 o
16 0 0 7856.97 8881.12 937.60 o
18 0 0 13000.70 12891.94 1237.11 o
1 1 0 742.91 1024.82 85.01 o
3 1 0 37125.27 37849.75 507.73 o
5 1 0 854.87 1955.17 287.97 o
7 1 0 136552.02 132584.78 3577.88 o
9 1 0 65.23 673.89 113.37 o
11 1 0 109134.96 107286.32 2560.49 o
13 1 0 6136.70 6578.37 338.80 o
15 1 0 41472.40 42332.61 2747.68 o
17 1 0 7460.97 8660.50 704.01 o
19 1 0 6113.86 5703.45 823.77 o
0 2 0 8490.43 10347.52 197.81 o
2 2 0 153998.34 156129.77 10241.03 o
4 2 0 423441.63 420591.97 8425.13 o
6 2 0 15639.42 17307.91 695.45 o
8 2 0 602.11 1376.86 183.26 o
10 2 0 217474.30 214887.91 3805.46 o
12 2 0 50902.48 49830.48 1085.28 o
14 2 0 1851.73 2155.73 446.52 o
16 2 0 4792.50 4986.41 593.44 o
18 2 0 13415.36 13922.66 1451.97 o
1 3 0 72036.44 68714.27 453.32 o
3 3 0 11411.70 11670.07 403.69 o
5 3 0 16340.28 17565.82 690.07 o
7 3 0 2245.37 2715.37 263.07 o
9 3 0 5710.25 6537.50 385.34 o
11 3 0 14672.17 14678.97 529.70 o
13 3 0 28318.34 28850.93 916.08 o
15 3 0 9399.36 9782.74 680.65 o
17 3 0 25812.16 24849.84 966.71 o
0 4 0 646239.50 636367.13 4088.96 o
2 4 0 8876.88 9583.07 238.00 o
4 4 0 46105.75 47813.57 548.84 o
6 4 0 172542.17 175967.45 8992.96 o
8 4 0 151625.81 147437.20 3924.58 o
10 4 0 2757.23 2899.72 247.44 o
12 4 0 4508.73 5163.74 304.20 o
14 4 0 39072.86 36684.00 757.34 o
16 4 0 10928.71 10637.25 787.25 o
18 4 0 2292.05 1354.31 1067.82 o
1 5 0 16030.95 16176.56 386.74 o
3 5 0 71509.13 69136.23 573.59 o
5 5 0 241.04 337.65 306.64 o
7 5 0 114364.20 113030.27 846.27 o
9 5 0 908.01 909.75 277.28 o
11 5 0 81407.45 80948.16 5571.44 o
13 5 0 327.65 440.92 330.93 o
15 5 0 26620.43 26342.11 934.31 o
17 5 0 2502.64 1536.62 963.64 o
0 6 0 146932.55 144806.47 1614.75 o
2 6 0 47925.79 48891.99 1464.99 o
4 6 0 417043.53 410918.19 2728.15 o
6 6 0 4854.17 4958.34 286.69 o
8 6 0 13660.66 14090.26 664.13 o
10 6 0 27090.99 26881.62 1731.95 o
12 6 0 37657.98 35653.04 735.38 o
14 6 0 7599.74 8499.26 698.18 o
16 6 0 3473.77 3437.85 1041.77 o
1 7 0 455.68 672.24 243.88 o
3 7 0 6887.12 6798.62 436.73 o
5 7 0 1468.65 2387.46 277.84 o
7 7 0 23190.72 24847.50 1666.84 o
9 7 0 472.73 408.90 657.62 o
11 7 0 23789.96 22829.14 1315.24 o
13 7 0 3903.47 3325.02 539.54 o
15 7 0 9772.86 9555.89 756.15 o
0 8 0 104485.10 108643.91 1640.79 o
2 8 0 3182.29 3453.66 690.17 o
4 8 0 1470.10 2237.02 337.35 o
6 8 0 79630.59 78922.57 5326.06 o
8 8 0 44008.09 44417.30 3997.80 o
10 8 0 5935.52 5060.07 670.64 o
12 8 0 1258.55 1823.10 703.20 o
14 8 0 25109.80 24056.02 978.03 o
1 9 0 1025.36 1748.66 372.16 o
3 9 0 36.43 139.47 349.54 o
5 9 0 569.83 769.49 465.33 o
7 9 0 4755.37 4771.29 589.76 o
9 9 0 162.26 -156.71 524.57 o
11 9 0 5642.39 5365.00 699.85 o
13 9 0 3723.86 4154.07 937.60 o
0 10 0 17954.46 16616.28 1002.71 o
2 10 0 12840.00 14828.79 720.68 o
4 10 0 69658.70 62792.88 1562.66 o
6 10 0 553.66 575.96 560.01 o
8 10 0 537.49 1164.41 599.20 o
10 10 0 12594.73 13433.73 2650.01 o
1 11 0 867.03 1094.46 496.98 o
3 11 0 5756.08 5755.80 846.44 o
5 11 0 5.06 792.68 616.63 o
7 11 0 10188.48 11506.56 1458.48 o
0 12 0 41104.80 45160.87 1575.68 o
2 12 0 1919.31 1119.91 872.49 o
4 12 0 4947.28 5905.70 754.06 o
-19 1 1 12364.53 12754.98 1100.37 o
-17 1 1 23999.92 25134.27 896.05 o
-15 1 1 10847.50 11963.06 663.74 o
-13 1 1 714.56 1237.88 290.46 o
-11 1 1 11531.58 13528.91 791.86 o
-9 1 1 134497.05 132647.50 2226.59 o
-7 1 1 214285.42 205397.13 3797.05 o
-5 1 1 2036.25 2727.00 115.56 o
-3 1 1 9404.97 9585.66 253.80 o
-1 1 1 108079.56 110284.71 937.60 o
1 1 1 258734.44 260579.34 9726.87 o
3 1 1 117056.81 115628.88 2761.11 o
5 1 1 4587.85 6199.84 205.25 o
7 1 1 6577.96 7583.94 337.78 o
9 1 1 79215.08 75398.04 1519.77 o
11 1 1 69418.67 67539.48 2080.29 o
13 1 1 17516.10 17892.76 457.10 o
15 1 1 566.98 1061.31 501.35 o
17 1 1 4276.01 4096.76 657.17 o
-18 2 1 472.61 1788.32 684.84 o
-16 2 1 4630.56 5559.72 703.20 o
-14 2 1 5491.38 6005.03 497.24 o
-12 2 1 6580.25 6602.61 395.84 o
-10 2 1 20577.02 22461.25 823.08 o
-8 2 1 2959.20 3533.69 152.05 o
-6 2 1 41211.48 39407.38 1022.01 o
-4 2 1 996.46 1680.62 179.63 o
-2 2 1 48864.29 49077.55 748.77 o
0 2 1 33801.70 34365.49 455.78 o
2 2 1 16667.33 16064.22 573.76 o
4 2 1 59748.01 57795.80 1834.48 o
6 2 1 5491.56 6051.81 479.29 o
8 2 1 41210.25 38771.07 999.69 o
10 2 1 59.43 353.09 475.31 o
12 2 1 8804.05 8527.26 336.27 o
14 2 1 2130.40 2289.63 375.92 o
16 2 1 678.38 986.67 557.03 o
18 2 1 1407.21 1939.03 754.39 o
-17 3 1 10669.50 10704.37 810.31 o
-15 3 1 10362.29 10097.94 685.58 o
-13 3 1 7948.28 8243.39 388.84 o
-11 3 1 24829.01 23783.37 837.81 o
-9 3 1 38926.95 38922.07 1096.35 o
-7 3 1 38977.20 38054.50 1389.02 o
-5 3 1 37559.19 36272.63 1268.55 o
-3 3 1 105837.21 105918.26 2330.97 o
-1 3 1 46656.20 46905.84 664.13 o
1 3 1 72692.76 74299.20 489.48 o
3 3 1 96574.82 95842.80 3856.82 o
5 3 1 28599.38 28313.20 792.18 o
7 3 1 16649.65 16980.03 725.27 o
9 3 1 62915.85 62298.79 1716.06 o
11 3 1 35676.97 35045.43 1015.45 o
13 3 1 11387.88 12462.59 492.28 o
15 3 1 5312.96 4055.46 638.09 o
17 3 1 6024.61 5013.53 1041.77 o
-18 4 1 120.01 1145.95 989.68 o
-16 4 1 2573.17 2305.78 621.09 o
-14 4 1 1135.04 1238.07 378.43 o
-12 4 1 692.73 934.92 300.54 o
-10 4 1 18284.75 17574.82 644.09 o
-8 4 1 727.66 1455.88 167.61 o
-6 4 1 70083.38 71190.67 1393.84 o
-4 4 1 8633.66 8989.90 333.74 o
-2 4 1 56112.84 56315.10 475.89 o
0 4 1 35478.30 35034.07 541.25 o
2 4 1 14503.26 14290.30 326.01 o
4 4 1 40935.68 41751.50 1342.34 o
6 4 1 21.16 335.69 263.28 o
8 4 1 21276.91 20219.61 701.09 o
10 4 1 6068.35 6222.84 331.91 o
12 4 1 5184.36 5252.31 298.53 o
14 4 1 7845.71 7745.01 540.70 o
16 4 1 2216.98 3450.87 937.60 o
-17 5 1 1498.60 1263.15 924.57 o
-15 5 1 11387.08 11388.66 645.42 o
-13 5 1 30295.38 29472.64 1561.94 o
-11 5 1 13047.79 12825.25 865.19 o
-9 5 1 4721.14 4861.89 383.79 o
-7 5 1 29280.61 30498.36 887.15 o
-5 5 1 39884.68 41334.78 2656.52 o
-3 5 1 78216.27 80607.13 637.44 o
-1 5 1 76818.99 75818.77 606.45 o
1 5 1 5436.48 5583.21 298.31 o
3 5 1 2180.63 2275.92 205.80 o
5 5 1 117168.42 113599.84 1603.97 o
7 5 1 84904.04 87123.06 3463.36 o
9 5 1 3015.36 3261.60 312.11 o
11 5 1 1809.28 2383.66 350.39 o
13 5 1 18878.96 17408.97 648.94 o
15 5 1 14089.44 13269.58 1211.06 o
17 5 1 6063.80 5091.67 1145.95 o
-16 6 1 2453.55 2932.93 642.79 o
-14 6 1 2611.37 2347.48 525.55 o
-12 6 1 5562.38 6259.51 520.99 o
-10 6 1 4791.41 5145.43 456.79 o
-8 6 1 7984.85 8549.00 1211.06 o
-6 6 1 6539.18 7344.64 331.87 o
-4 6 1 1327.01 2016.91 215.20 o
-2 6 1 818.64 1107.31 214.95 o
0 6 1 5528.98 6285.67 354.42 o
2 6 1 121.78 222.96 188.60 o
4 6 1 17067.22 17723.37 1322.94 o
6 6 1 334.04 271.71 209.05 o
8 6 1 8791.53 8343.19 558.08 o
10 6 1 562.04 892.45 403.43 o
12 6 1 313.38 437.47 569.66 o
14 6 1 168.00 58.48 450.71 o
16 6 1 8.92 1119.91 1041.77 o
-15 7 1 7019.07 6164.35 711.88 o
-13 7 1 16993.50 15138.00 753.55 o
-11 7 1 25955.19 29532.01 1914.26 o
-9 7 1 1389.96 1715.44 426.38 o
-7 7 1 321.53 789.80 358.66 o
-5 7 1 68628.50 68166.53 1671.74 o
-3 7 1 111060.80 113567.97 1106.11 o
-1 7 1 846.32 1094.13 248.11 o
1 7 1 404.09 1068.56 651.11 o
3 7 1 44155.73 42885.56 807.38 o
5 7 1 52499.75 53769.97 3057.42 o
7 7 1 14097.80 16801.96 697.05 o
9 7 1 8694.60 9005.09 650.79 o
11 7 1 2350.81 2731.22 531.30 o
13 7 1 3826.03 3919.58 571.04 o
15 7 1 13229.37 13395.80 2011.92 o
-14 8 1 2219.94 3445.61 633.97 o
-12 8 1 4299.31 3268.56 729.24 o
-10 8 1 2738.90 3342.08 543.58 o
-8 8 1 4461.98 3320.62 631.58 o
-6 8 1 712.73 835.54 423.67 o
-4 8 1 144.94 151.31 507.86 o
-2 8 1 68.35 1299.78 298.31 o
0 8 1 1998.09 2039.98 326.79 o
2 8 1 191.68 247.42 377.64 o
4 8 1 7786.03 7987.73 786.97 o
6 8 1 523.12 1647.69 468.80 o
8 8 1 4210.61 5873.00 565.33 o
10 8 1 1198.87 1007.05 525.16 o
12 8 1 904.81 1265.14 626.19 o
14 8 1 762.11 916.54 646.77 o
-13 9 1 10553.58 9780.80 833.29 o
-11 9 1 3033.73 3340.42 716.22 o
-9 9 1 2229.22 3296.58 581.50 o
-7 9 1 14087.79 15698.81 1692.88 o
-5 9 1 7638.83 7188.23 820.40 o
-3 9 1 10719.48 10108.61 552.25 o
-1 9 1 37964.08 38105.30 1217.57 o
1 9 1 4899.36 6266.53 497.46 o
3 9 1 846.52 992.61 403.69 o
5 9 1 33465.14 34359.47 928.95 o
7 9 1 33601.69 33230.21 2702.10 o
9 9 1 415.78 508.07 551.53 o
11 9 1 703.00 625.60 633.55 o
-10 10 1 672.80 959.54 633.21 o
-8 10 1 2160.68 1735.20 865.97 o
-6 10 1 5117.69 5187.73 703.20 o
-4 10 1 3406.52 3787.63 494.94 o
-2 10 1 8545.03 7620.13 619.04 o
0 10 1 1744.83 1494.22 432.49 o
2 10 1 3289.31 3886.09 487.77 o
4 10 1 1227.47 2016.66 761.80 o
6 10 1 137.69 -510.03 605.53 o
8 10 1 603.94 756.24 594.81 o
10 10 1 2485.18 2775.67 712.10 o
-7 11 1 371.59 776.12 650.11 o
-5 11 1 11238.42 10856.04 808.34 o
-3 11 1 12459.46 10959.79 1888.21 o
-1 11 1 151.77 97.67 497.24 o
1 11 1 4775.50 6564.10 729.24 o
3 11 1 22056.73 24484.50 1022.24 o
5 11 1 2592.46 2842.45 1230.59 o
7 11 1 172.24 465.46 2194.23 o
-4 12 1 662.94 -141.38 656.32 o
-2 12 1 18.08 338.58 820.40 o
0 12 1 591.86 468.30 603.08 o
2 12 1 3.90 156.27 807.37 o
-18 0 2 23439.95 21968.39 1289.19 o
-16 0 2 45328.41 42686.65 1341.28 o
-14 0 2 11420.04 11446.48 859.46 o
-12 0 2 23785.48 22730.72 455.93 o
-10 0 2 28925.42 29130.92 1052.71 o
-8 0 2 494557.16 482128.94 16590.71 o
-6 0 2 94631.26 93454.62 2742.22 o
-4 0 2 136947.00 141578.80 4557.76 o
-2 0 2 81580.18 85705.95 1491.04 o
0 0 2 384017.88 382778.94 6270.18 o
2 0 2 3518.46 5495.35 234.40 o
4 0 2 97220.47 98774.29 3256.86 o
6 0 2 358341.88 359162.28 1850.75 o
8 0 2 9012.00 9459.87 1075.98 o
10 0 2 1575.35 2246.75 294.23 o
12 0 2 139079.84 138803.30 3053.70 o
14 0 2 51468.72 49831.80 943.52 o
16 0 2 930.86 1198.04 820.40 o
18 0 2 569.50 -390.66 1028.75 o
-19 1 2 21460.23 22492.04 1012.38 o
-17 1 2 1139.66 1923.14 755.29 o
-15 1 2 56178.04 57097.29 1002.54 o
-13 1 2 18683.83 18792.94 923.41 o
-11 1 2 78406.64 77300.57 1667.37 o
-9 1 2 64293.27 64386.95 1288.01 o
-7 1 2 33427.59 33943.23 627.99 o
-5 1 2 67327.53 69307.10 1018.17 o
-3 1 2 98.32 1472.63 67.38 o
-1 1 2 4634.00 5183.88 279.06 o
1 1 2 5992.81 7042.36 192.75 o
3 1 2 24646.40 23654.66 744.32 o
5 1 2 1795.79 2819.58 136.31 o
7 1 2 12594.53 12079.72 479.70 o
9 1 2 7860.68 8543.20 300.75 o
11 1 2 1371.61 1917.83 239.10 o
13 1 2 20755.10 21679.96 492.62 o
15 1 2 1546.00 1546.96 515.40 o
17 1 2 13743.36 13319.66 873.28 o
-18 2 2 7155.23 6819.71 726.74 o
-16 2 2 20132.41 20211.61 1009.22 o
-14 2 2 11092.50 10606.59 664.51 o
-12 2 2 25902.19 25635.74 677.96 o
-10 2 2 24513.79 23807.82 895.59 o
-8 2 2 1096.34 1718.62 119.25 o
-6 2 2 306106.28 314540.31 5835.86 o
-4 2 2 326928.41 325930.94 5672.36 o
-2 2 2 218374.08 230683.08 11413.93 o
0 2 2 4346.44 5437.99 250.44 o
2 2 2 1472494.75 1366246.00 46560.71 o
4 2 2 175880.19 175685.78 4802.35 o
6 2 2 173047.78 172585.31 3605.05 o
8 2 2 12817.78 12121.09 783.79 o
10 2 2 252587.27 241391.03 7956.62 o
12 2 2 15205.59 15910.71 484.93 o
14 2 2 301.76 18.29 320.96 o
16 2 2 9114.02 8901.66 726.74 o
18 2 2 7219.25 6667.35 1237.11 o
-17 3 2 4590.35 5081.67 695.16 o
-15 3 2 11055.06 9434.81 662.21 o
-13 3 2 55033.55 53649.63 2623.90 o
-11 3 2 15307.06 14953.77 440.58 o
-9 3 2 193106.52 191052.80 6454.62 o
-7 3 2 17398.11 16742.97 703.55 o
-5 3 2 349466.22 342966.03 8283.88 o
-3 3 2 17631.17 18288.59 390.67 o
-1 3 2 233636.50 240989.23 1325.96 o
1 3 2 33623.33 33278.34 329.40 o
3 3 2 22639.57 20949.75 733.04 o
5 3 2 82045.05 81154.25 2313.77 o
7 3 2 11033.47 11634.90 454.98 o
9 3 2 118173.96 113495.95 3588.13 o
11 3 2 12236.28 12136.11 479.27 o
13 3 2 68869.97 69100.59 2225.43 o
15 3 2 1958.54 1239.71 651.11 o
17 3 2 21128.62 20340.62 1432.44 o
-18 4 2 8689.30 9466.76 1158.97 o
-16 4 2 6513.52 5678.79 656.01 o
-14 4 2 9988.65 9252.73 802.52 o
-12 4 2 3388.00 3618.49 305.65 o
-10 4 2 54775.89 54825.23 1296.82 o
-8 4 2 158511.72 147448.89 3509.47 o
-6 4 2 587.87 1289.59 239.50 o
-4 4 2 18448.00 21568.63 1302.22 o
-2 4 2 438125.56 452128.09 2246.26 o
0 4 2 272035.81 271097.50 6413.42 o
2 4 2 72554.22 67450.66 639.40 o
4 4 2 10835.26 11276.75 409.75 o
6 4 2 395240.63 394060.31 14277.82 o
8 4 2 11907.72 10804.70 483.05 o
10 4 2 12132.36 11774.90 550.72 o
12 4 2 32430.66 31136.37 757.85 o
14 4 2 40099.77 42174.43 1009.75 o
16 4 2 2382.88 2370.03 976.66 o
-17 5 2 731.58 -260.44 859.46 o
-15 5 2 48560.66 45126.13 1400.65 o
-13 5 2 4631.61 5133.42 433.94 o
-11 5 2 53823.77 50176.85 2181.73 o
-9 5 2 17995.98 16860.25 571.04 o
-7 5 2 11486.83 11272.97 390.99 o
-5 5 2 10023.96 9854.56 409.06 o
-3 5 2 4520.19 4844.25 494.84 o
-1 5 2 7.34 34.73 161.65 o
1 5 2 19023.77 18997.20 348.84 o
3 5 2 5636.48 5847.68 463.64 o
5 5 2 2204.32 2552.34 181.89 o
7 5 2 4612.12 5083.26 596.54 o
9 5 2 496.92 298.55 277.86 o
11 5 2 0.67 -177.57 321.97 o
13 5 2 9273.74 8900.29 495.03 o
15 5 2 1715.83 2291.90 976.66 o
17 5 2 8162.78 7123.12 1237.11 o
-16 6 2 458.95 332.17 574.65 o
-14 6 2 9750.88 10056.62 736.47 o
-12 6 2 69286.63 62222.70 4075.94 o
-10 6 2 19217.47 18702.69 675.63 o
-8 6 2 23787.04 24239.51 1386.86 o
-6 6 2 37069.60 37885.43 769.61 o
-4 6 2 259576.81 262273.03 1727.52 o
-2 6 2 2292.49 2716.55 212.93 o
0 6 2 6955.12 7527.67 317.17 o
2 6 2 168504.83 168799.03 4408.00 o
4 6 2 33936.63 35157.03 2163.23 o
6 6 2 6228.27 6936.22 468.53 o
8 6 2 63271.75 62571.38 988.29 o
10 6 2 71917.63 73406.64 2802.15 o
12 6 2 1793.63 1861.59 425.37 o
14 6 2 307.66 1648.27 488.50 o
16 6 2 20488.13 18244.05 1497.55 o
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