#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/52/2215280.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_2215280_Fobs
loop_
_publ_author_name
'Yamagata, Tsuneaki'
'Nagata, Mitsuhiro'
'Mashima, Kazushi'
'Tani, Kazuhide'
_publ_section_title
;
 Di-\m-iodido-bis[(\h^4^-cycloocta-1,5-diene)iridium(I)]
;
_journal_coeditor_code           TK2187
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2402
_journal_volume                  63
_journal_year                    2007
_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                 96.657
_cell_angle_gamma                90.000
_cell_length_a                   12.3438
_cell_length_b                   11.8161
_cell_length_c                   11.9435
_exptl_crystal_F_000             1520.00
_reflns_d_resolution_high        0.6791
_[local]_cod_data_source_file    tk2187Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title
'[IrI(C8H12)]2 C2/c(#15) numabs Fri Dec 27 15:50:10 2002'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            806.57
_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 53259.46 55608.25 1190.10 o
4 0 0 114054.77 118686.31 2135.33 o
6 0 0 6393.87 7387.63 488.31 o
8 0 0 161507.64 144249.69 4545.98 o
10 0 0 7432.95 7269.48 132.91 o
12 0 0 94695.23 86438.76 3523.95 o
14 0 0 74308.15 70263.26 3693.39 o
16 0 0 984.25 1065.98 145.79 o
18 0 0 2762.77 2447.02 200.79 o
3 1 0 93644.84 93373.48 2815.08 o
5 1 0 39559.81 37275.11 762.50 o
7 1 0 2386.70 2900.42 103.72 o
9 1 0 16110.47 13853.75 462.92 o
11 1 0 45.35 470.43 57.12 o
13 1 0 6922.33 6029.44 251.98 o
15 1 0 1232.77 1450.94 101.61 o
17 1 0 11232.55 9350.92 314.81 o
0 2 0 343101.38 339230.81 4670.93 o
2 2 0 127676.37 126502.83 2376.99 o
4 2 0 4985.20 3977.41 82.62 o
6 2 0 1132.35 1487.58 76.85 o
8 2 0 76559.56 70545.96 2125.20 o
10 2 0 8749.46 9353.42 375.32 o
12 2 0 62256.73 60107.86 2546.98 o
14 2 0 37901.26 32916.75 1252.81 o
16 2 0 235.63 569.78 45.60 o
1 3 0 3436.36 3677.41 132.32 o
3 3 0 201889.22 195905.80 5428.94 o
5 3 0 274480.72 261310.73 7364.05 o
7 3 0 4158.47 3991.85 118.96 o
9 3 0 120549.46 113182.91 3640.90 o
11 3 0 155.68 356.70 45.90 o
13 3 0 31368.67 29642.73 1508.58 o
15 3 0 10868.18 9707.37 400.18 o
17 3 0 53155.02 44496.75 1619.16 o
0 4 0 420.52 1867.43 170.10 o
2 4 0 28434.45 31691.08 654.66 o
4 4 0 8065.88 9984.67 341.65 o
6 4 0 2913.88 4078.64 134.80 o
8 4 0 121.94 1006.86 129.40 o
10 4 0 475.01 922.34 79.89 o
12 4 0 850.57 1509.95 85.40 o
14 4 0 940.05 948.56 94.68 o
16 4 0 1226.78 1306.05 92.90 o
1 5 0 884.64 1387.32 40.42 o
3 5 0 243613.53 249366.53 5412.94 o
5 5 0 237750.53 260713.58 4563.10 o
7 5 0 6802.27 7088.10 99.25 o
9 5 0 78451.39 84323.02 2022.13 o
11 5 0 50.55 447.38 56.67 o
13 5 0 12859.76 14910.89 448.15 o
15 5 0 10813.56 9958.00 476.29 o
17 5 0 59363.63 66976.36 3693.70 o
0 6 0 126102.05 135312.97 3843.92 o
2 6 0 11490.65 11509.10 212.72 o
4 6 0 48771.39 45354.36 1449.62 o
6 6 0 9310.76 9340.39 213.71 o
8 6 0 61176.59 63148.79 1759.16 o
10 6 0 16086.67 16279.34 526.18 o
12 6 0 33986.77 36296.80 1554.60 o
14 6 0 17028.37 17313.43 1048.73 o
16 6 0 5597.36 6719.69 396.21 o
1 7 0 8599.39 11308.25 387.37 o
3 7 0 89135.50 90540.44 1820.11 o
5 7 0 39259.09 38122.69 1325.92 o
7 7 0 303.37 846.85 40.32 o
9 7 0 3286.36 4265.88 156.18 o
11 7 0 1474.58 1403.14 68.58 o
13 7 0 566.09 970.83 82.81 o
15 7 0 4412.22 5290.25 281.52 o
0 8 0 328874.31 347778.75 12601.70 o
2 8 0 41685.72 42693.21 949.13 o
4 8 0 69590.88 71572.24 1266.39 o
6 8 0 212.72 549.27 42.03 o
8 8 0 82047.22 85196.05 2495.76 o
10 8 0 9340.99 9632.77 220.43 o
12 8 0 51347.72 61355.92 1893.51 o
14 8 0 37409.13 43670.14 1725.00 o
16 8 0 2968.84 3826.63 290.66 o
1 9 0 63091.05 71107.00 1964.63 o
3 9 0 7215.83 7652.86 235.27 o
5 9 0 6575.15 7363.54 261.22 o
7 9 0 10443.60 11462.82 349.21 o
9 9 0 8923.63 10332.05 261.13 o
11 9 0 2032.95 1947.16 64.06 o
13 9 0 14758.92 16016.88 539.38 o
15 9 0 2582.83 2486.73 173.50 o
0 10 0 115973.88 112195.60 1778.33 o
2 10 0 45946.74 46182.25 1099.06 o
4 10 0 2026.81 2697.70 145.00 o
6 10 0 241.94 533.33 35.19 o
8 10 0 29969.50 31578.77 695.52 o
10 10 0 1435.26 2054.43 103.94 o
12 10 0 27942.57 32233.40 1046.40 o
14 10 0 16697.24 20825.63 1010.69 o
1 11 0 28477.84 25470.91 611.46 o
3 11 0 27125.35 28007.33 674.75 o
5 11 0 64301.43 62126.76 1050.60 o
7 11 0 5828.49 6409.68 264.39 o
9 11 0 44333.84 42513.39 1183.18 o
11 11 0 1244.93 1662.30 116.61 o
13 11 0 26462.20 28326.43 1141.66 o
0 12 0 14015.83 12070.16 662.86 o
2 12 0 9741.65 9002.96 332.47 o
4 12 0 18194.68 18743.19 301.82 o
6 12 0 6142.06 6102.96 283.17 o
8 12 0 381.01 763.58 53.89 o
10 12 0 2433.26 2402.76 140.92 o
12 12 0 561.85 878.21 86.17 o
1 13 0 3425.44 2931.62 103.29 o
3 13 0 37188.06 35311.34 999.09 o
5 13 0 50825.82 50121.30 1041.65 o
7 13 0 2635.01 2959.39 138.20 o
9 13 0 23785.63 24981.28 1108.54 o
11 13 0 317.07 537.10 78.49 o
0 14 0 12528.68 12716.38 365.34 o
2 14 0 236.01 325.51 46.50 o
4 14 0 47384.39 45369.30 796.28 o
6 14 0 6109.81 5520.24 273.55 o
8 14 0 21258.04 24201.94 850.38 o
10 14 0 7095.75 6492.57 418.65 o
1 15 0 4417.68 3476.93 114.97 o
3 15 0 15906.97 14778.30 340.99 o
5 15 0 6258.47 7020.92 259.70 o
7 15 0 14.83 265.84 66.02 o
9 15 0 368.11 902.48 117.17 o
0 16 0 45560.54 38818.31 1561.21 o
2 16 0 193.59 295.41 50.64 o
4 16 0 26675.94 22367.08 886.74 o
6 16 0 678.51 515.53 75.94 o
1 17 0 23859.30 17754.79 851.75 o
3 17 0 98.67 241.25 54.71 o
-17 1 1 15364.59 14131.94 562.43 o
-15 1 1 74.92 227.86 45.35 o
-13 1 1 47663.74 41534.08 1013.57 o
-11 1 1 143.63 688.48 75.14 o
-9 1 1 259725.95 250922.66 7035.50 o
-7 1 1 158072.02 153427.72 3560.33 o
-5 1 1 3953.18 4285.62 160.25 o
-3 1 1 2076.11 3158.52 150.52 o
1 1 1 313105.06 280772.19 6605.17 o
3 1 1 37820.39 37372.52 804.16 o
5 1 1 246061.48 248350.81 4332.63 o
7 1 1 492.96 1055.81 49.19 o
9 1 1 22539.63 22711.59 923.56 o
11 1 1 43000.68 38945.91 1244.48 o
13 1 1 166734.88 150566.81 5535.33 o
15 1 1 8418.68 7877.01 381.04 o
17 1 1 10002.56 8670.31 298.49 o
-18 2 1 14847.51 10448.19 655.15 o
-16 2 1 14080.60 12433.65 456.90 o
-14 2 1 10306.15 8793.80 377.69 o
-12 2 1 41885.98 39987.37 1417.16 o
-10 2 1 246.06 581.76 40.62 o
-8 2 1 32640.83 31186.85 1024.53 o
-6 2 1 62749.28 61737.70 1745.50 o
-4 2 1 304898.59 284040.00 7025.67 o
-2 2 1 47095.09 50110.30 1111.90 o
0 2 1 168831.25 178193.98 4768.29 o
2 2 1 2047.26 2359.85 101.47 o
4 2 1 110820.85 104574.31 1858.93 o
6 2 1 903.30 937.82 97.15 o
8 2 1 112723.11 102872.52 2026.12 o
10 2 1 61809.04 54676.73 1511.32 o
12 2 1 6794.81 5978.03 272.18 o
14 2 1 2482.65 2217.62 110.79 o
16 2 1 23340.81 19224.93 855.56 o
-17 3 1 1097.21 1459.92 65.14 o
-15 3 1 217.42 274.19 46.17 o
-13 3 1 3470.84 3591.90 130.67 o
-11 3 1 1154.17 1315.37 85.72 o
-9 3 1 37881.85 34321.24 1069.01 o
-7 3 1 57481.44 58434.02 1614.47 o
-5 3 1 3720.31 5292.00 161.63 o
-3 3 1 757.77 1906.36 131.53 o
-1 3 1 107024.81 114547.21 3279.61 o
1 3 1 71734.21 80787.43 2523.74 o
3 3 1 23058.11 22016.46 517.97 o
5 3 1 31056.14 27967.45 638.66 o
7 3 1 359.97 657.84 51.35 o
9 3 1 673.90 1572.45 76.93 o
11 3 1 18930.37 18688.66 667.86 o
13 3 1 19674.16 17252.91 829.40 o
15 3 1 7176.71 6100.41 336.89 o
17 3 1 528.63 894.11 70.40 o
-16 4 1 29744.17 24855.12 1131.25 o
-14 4 1 24769.91 23458.79 1312.06 o
-12 4 1 80924.27 82226.01 2691.61 o
-10 4 1 879.49 1423.25 83.24 o
-8 4 1 23498.97 23106.60 525.55 o
-6 4 1 131723.45 136710.11 3427.70 o
-4 4 1 467457.66 456938.66 7247.15 o
-2 4 1 64202.31 67739.63 1469.88 o
0 4 1 122381.47 139857.53 1456.34 o
2 4 1 409.34 1033.32 69.68 o
4 4 1 172837.08 180507.48 4238.04 o
6 4 1 603.34 1452.47 91.85 o
8 4 1 211303.11 207068.06 6303.76 o
10 4 1 102588.05 103182.19 2740.31 o
12 4 1 2580.23 2863.16 152.92 o
14 4 1 2382.47 2314.45 125.61 o
16 4 1 33581.13 31295.30 1453.49 o
-17 5 1 6462.56 7024.76 399.61 o
-15 5 1 16.59 128.66 46.65 o
-13 5 1 12371.70 12743.58 479.97 o
-11 5 1 1063.90 1519.21 106.27 o
-9 5 1 21206.36 20362.53 388.28 o
-7 5 1 1233.98 1552.87 65.00 o
-5 5 1 23696.15 24988.14 502.64 o
-3 5 1 16786.29 17077.49 426.79 o
-1 5 1 13398.70 14847.41 504.16 o
1 5 1 29297.19 34184.52 711.58 o
3 5 1 16462.98 17217.85 859.37 o
5 5 1 23698.21 26201.01 569.48 o
7 5 1 8663.52 9560.99 260.54 o
9 5 1 16132.95 16669.41 597.89 o
11 5 1 13.67 232.03 37.68 o
13 5 1 8371.16 8067.14 318.03 o
15 5 1 9.04 202.98 51.65 o
17 5 1 3072.52 3283.60 271.15 o
-16 6 1 16512.06 18948.90 944.12 o
-14 6 1 6282.71 7280.57 304.74 o
-12 6 1 44998.91 47597.00 1708.14 o
-10 6 1 520.69 911.20 92.40 o
-8 6 1 1039.67 1865.07 102.24 o
-6 6 1 72569.76 77586.98 1288.91 o
-4 6 1 272820.00 275869.97 6088.30 o
-2 6 1 31344.18 31937.18 511.48 o
0 6 1 8039.64 8164.38 176.37 o
2 6 1 490.70 1139.54 54.41 o
4 6 1 51113.70 51618.08 1122.71 o
6 6 1 274.11 491.56 52.72 o
8 6 1 127164.82 136173.59 2034.73 o
10 6 1 67697.22 76154.77 2187.76 o
12 6 1 257.32 773.53 92.29 o
14 6 1 312.21 708.25 66.27 o
16 6 1 25882.81 29937.04 1470.47 o
-15 7 1 91.60 356.74 50.38 o
-13 7 1 33429.47 36905.43 1463.41 o
-11 7 1 1420.49 2266.76 107.15 o
-9 7 1 106770.16 109982.09 3278.05 o
-7 7 1 75741.43 77608.39 1538.48 o
-5 7 1 34124.50 33285.44 947.20 o
-3 7 1 24478.10 23488.07 632.66 o
-1 7 1 148135.13 154176.44 3681.37 o
1 7 1 146423.41 143901.38 2752.30 o
3 7 1 41011.30 39726.73 739.85 o
5 7 1 120262.69 119333.89 2999.18 o
7 7 1 2926.51 3244.88 112.89 o
9 7 1 45922.62 45831.46 856.27 o
11 7 1 14387.39 16099.95 487.93 o
13 7 1 76098.59 87984.16 3269.67 o
15 7 1 2950.66 2921.71 177.87 o
-16 8 1 128.78 582.66 81.34 o
-14 8 1 413.13 657.85 59.98 o
-12 8 1 119.56 723.09 99.21 o
-10 8 1 6884.37 8399.86 234.64 o
-8 8 1 19475.52 21620.27 770.89 o
-6 8 1 10528.17 9069.59 340.05 o
-4 8 1 12787.60 12233.77 367.21 o
-2 8 1 12985.37 14398.93 157.95 o
0 8 1 18449.00 23862.94 871.33 o
2 8 1 1801.68 2847.72 79.86 o
4 8 1 2428.68 3686.56 177.73 o
6 8 1 8447.03 9213.53 203.70 o
8 8 1 4395.24 4746.89 108.21 o
10 8 1 2987.69 2946.35 69.83 o
12 8 1 11191.74 12080.21 326.20 o
14 8 1 8263.01 9281.75 419.45 o
-15 9 1 10.04 266.76 76.39 o
-13 9 1 23859.39 28203.56 884.28 o
-11 9 1 292.63 600.74 36.96 o
-9 9 1 96428.63 110345.86 1620.29 o
-7 9 1 76483.76 79825.49 2695.96 o
-5 9 1 5018.91 5033.63 192.45 o
-3 9 1 686.87 1013.86 36.20 o
-1 9 1 126406.10 132284.58 4145.60 o
1 9 1 90302.45 95621.53 3171.74 o
3 9 1 18510.51 18875.86 646.40 o
5 9 1 78690.52 81135.18 1420.97 o
7 9 1 291.50 703.19 87.98 o
9 9 1 12865.09 14617.21 325.31 o
11 9 1 22038.01 23359.30 685.13 o
13 9 1 70020.18 83439.02 2429.67 o
15 9 1 7446.81 7815.16 444.46 o
-14 10 1 8395.65 9213.81 290.06 o
-12 10 1 20869.04 23422.09 687.81 o
-10 10 1 10921.19 10381.02 371.00 o
-8 10 1 40744.70 42676.36 1130.89 o
-6 10 1 1326.48 1612.90 37.40 o
-4 10 1 52512.77 53003.25 1133.46 o
-2 10 1 2560.82 2381.55 63.40 o
0 10 1 58303.27 55997.15 1128.95 o
2 10 1 3758.01 3900.02 116.25 o
4 10 1 56712.47 58419.82 956.98 o
6 10 1 12743.99 12507.47 326.99 o
8 10 1 29687.64 32497.87 602.30 o
10 10 1 8009.68 8577.27 241.47 o
12 10 1 20764.50 21984.92 480.05 o
14 10 1 11293.83 11783.45 595.67 o
-13 11 1 700.96 1624.96 106.77 o
-11 11 1 1937.99 2030.01 108.29 o
-9 11 1 20616.89 22329.13 582.25 o
-7 11 1 24211.87 24313.01 716.83 o
-5 11 1 11552.97 10727.26 321.75 o
-3 11 1 11095.66 11126.28 389.60 o
-1 11 1 25092.91 25499.51 585.74 o
1 11 1 14551.72 14854.88 325.61 o
3 11 1 850.60 1246.48 63.51 o
5 11 1 10113.61 11148.12 370.72 o
7 11 1 2028.07 2087.32 74.01 o
9 11 1 4556.38 4179.54 126.62 o
11 11 1 13571.86 15782.55 582.26 o
13 11 1 14222.95 16211.83 888.32 o
-12 12 1 27553.66 31890.45 1678.47 o
-10 12 1 2603.61 2239.51 139.66 o
-8 12 1 21435.58 21146.52 887.18 o
-6 12 1 10286.16 9684.68 458.25 o
-4 12 1 105683.14 109739.53 2821.56 o
-2 12 1 1807.27 2436.27 112.74 o
0 12 1 50368.39 46219.24 1174.40 o
2 12 1 631.84 622.84 36.51 o
4 12 1 65213.39 64013.10 1348.70 o
6 12 1 2419.45 1964.76 111.21 o
8 12 1 55745.07 60367.69 2007.13 o
10 12 1 15321.96 15480.61 686.95 o
12 12 1 6531.31 7529.22 444.11 o
-11 13 1 1467.71 1709.75 183.59 o
-9 13 1 1408.45 1775.91 116.65 o
-7 13 1 684.51 648.50 46.54 o
-5 13 1 37522.50 36451.98 1033.00 o
-3 13 1 26534.58 25393.36 771.19 o
-1 13 1 1184.48 1771.03 86.97 o
1 13 1 3938.40 4467.64 149.82 o
3 13 1 5835.10 5752.02 305.80 o
5 13 1 5216.44 5821.76 277.47 o
7 13 1 7265.05 7497.48 435.24 o
9 13 1 24492.38 22889.97 1175.08 o
11 13 1 3020.67 2854.13 158.50 o
-10 14 1 757.19 703.05 73.88 o
-8 14 1 1098.14 1370.99 108.98 o
-6 14 1 13805.95 15561.50 434.41 o
-4 14 1 44808.18 46424.41 1314.89 o
-2 14 1 7548.78 6045.09 210.83 o
0 14 1 4855.25 4595.89 132.85 o
2 14 1 208.14 464.49 69.15 o
4 14 1 9607.71 10067.30 418.69 o
6 14 1 28.83 300.96 51.49 o
8 14 1 22746.61 26904.17 1473.78 o
10 14 1 15518.97 15961.33 1416.07 o
-9 15 1 18361.24 11594.84 206.58 o
-7 15 1 5157.85 6275.70 419.02 o
-5 15 1 30065.55 28337.37 1346.22 o
-3 15 1 20522.62 17377.97 630.42 o
-1 15 1 15872.57 14052.92 288.22 o
1 15 1 22869.21 19674.69 502.63 o
3 15 1 8852.21 7916.06 286.00 o
5 15 1 27327.97 26041.72 525.63 o
7 15 1 5792.50 5750.63 366.74 o
-6 16 1 6227.74 6171.82 575.23 o
-4 16 1 1169.85 1425.59 131.52 o
-2 16 1 6696.86 4532.25 403.55 o
0 16 1 7904.92 5767.30 179.96 o
2 16 1 1612.35 1597.51 114.78 o
4 16 1 2843.66 2038.17 141.10 o
6 16 1 3869.78 2788.03 299.20 o
-3 17 1 2539.45 1868.32 245.20 o
-1 17 1 12701.22 9985.57 690.87 o
1 17 1 13523.82 11027.26 351.90 o
3 17 1 4048.10 3137.61 255.47 o
-18 0 2 23422.23 18704.30 1828.98 o
-16 0 2 41418.67 36169.54 1670.15 o
-14 0 2 412.12 1080.35 183.52 o
-12 0 2 2878.29 2773.16 150.64 o
-10 0 2 67115.30 70109.54 4436.33 o
-8 0 2 400437.88 376276.91 21635.66 o
-6 0 2 19866.98 19510.48 1328.68 o
-4 0 2 205348.34 198941.69 11648.53 o
-2 0 2 6826.03 7546.89 355.69 o
0 0 2 336040.16 282369.41 1846.48 o
2 0 2 27168.94 28933.57 878.87 o
4 0 2 631501.44 561977.69 18684.36 o
6 0 2 175216.89 174849.19 6021.90 o
8 0 2 6169.57 5660.62 311.83 o
10 0 2 2207.24 2626.10 203.58 o
12 0 2 94557.63 88550.56 5960.17 o
14 0 2 49607.75 46664.46 2902.04 o
16 0 2 17885.52 14873.06 934.58 o
-17 1 2 4335.68 4007.39 152.71 o
-15 1 2 889.38 852.76 52.97 o
-13 1 2 16736.33 15530.43 459.38 o
-11 1 2 9458.79 9657.49 413.48 o
-9 1 2 3014.31 3912.64 211.84 o
-7 1 2 631.69 1870.84 58.22 o
-5 1 2 26529.32 24105.57 687.67 o
-3 1 2 39772.01 37931.81 1160.67 o
-1 1 2 22883.81 20545.22 940.59 o
1 1 2 65938.59 65442.77 1351.54 o
3 1 2 162.53 419.12 26.74 o
5 1 2 9332.25 8430.67 189.31 o
7 1 2 16513.53 15785.69 399.19 o
9 1 2 34670.92 31419.66 1109.91 o
11 1 2 3318.32 2956.78 135.88 o
13 1 2 10448.92 8819.62 388.55 o
15 1 2 48.33 102.68 41.27 o
17 1 2 4981.17 4169.29 198.21 o
-18 2 2 9731.08 8169.16 498.85 o
-16 2 2 30912.30 26408.52 786.11 o
-14 2 2 119.49 547.00 57.70 o
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