#------------------------------------------------------------------------------
#$Date: 2011-09-16 16:46:08 +0100 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: svn://www.crystallography.net/cod/hkl/2/2011378.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_2011378_Fobs
loop_
_publ_author_name
'Virovets, Alexander V.'
'Konchenko, Sergey N.'
_publ_section_title
;
 Redetermination of
 hexacarbonyl(\h^5^-cyclopentadienyl)bis(\m~3~-selenido)diiron(II)cobalt(II)
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              e383
_journal_page_last               e384
_journal_volume                  56
_journal_year                    2000
_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                 111.751
_cell_angle_gamma                90.000
_cell_length_a                   34.9920
_cell_length_b                   6.6249
_cell_length_c                   14.6510
_exptl_crystal_F_000             2128.00
_reflns_d_resolution_high        0.8418
_[local]_cod_data_source_file    qd0023IIsup2.hkl
_[local]_cod_data_source_block   II
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' fecose in C2/c Nov. 1997 3psi-abs. xemp'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            676.64
_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 95.66 17.80 85.18 o
4 0 0 425288.97 430305.56 3009.69 o
6 0 0 586.24 799.95 343.38 o
8 0 0 50103.22 49108.56 1222.77 o
10 0 0 51.15 2.54 493.12 o
12 0 0 118002.89 115917.39 2259.66 o
14 0 0 241.55 584.68 522.40 o
16 0 0 205129.42 197880.98 3373.21 o
18 0 0 113.70 160.14 654.54 o
20 0 0 94284.52 90037.79 2503.75 o
22 0 0 185.13 -753.69 827.40 o
24 0 0 8010.80 7492.39 1086.72 o
26 0 0 328.03 -283.44 892.25 o
28 0 0 7086.62 7187.68 1176.51 o
30 0 0 519.96 -1019.39 1019.39 o
32 0 0 18.02 274.51 907.42 o
34 0 0 92.02 -169.03 987.50 o
36 0 0 402.32 -263.10 1039.68 o
38 0 0 88.23 -1053.59 1053.59 o
1 1 0 2986.17 2784.78 287.16 o
3 1 0 23467.98 24080.22 656.19 o
5 1 0 9979.71 10338.74 566.10 o
7 1 0 20539.44 22073.10 876.26 o
9 1 0 123139.98 128947.49 2134.48 o
11 1 0 62114.77 65809.13 1668.44 o
13 1 0 32259.70 34029.70 1325.43 o
15 1 0 37733.27 36662.75 1443.76 o
17 1 0 38033.00 37621.57 1556.27 o
19 1 0 29637.92 28054.48 1476.15 o
21 1 0 27863.15 26888.61 1499.58 o
23 1 0 4184.54 4339.39 940.41 o
25 1 0 18877.80 17923.87 1409.43 o
27 1 0 7662.55 7322.76 1164.00 o
29 1 0 11230.16 12120.63 1365.00 o
31 1 0 4219.07 4218.55 1066.09 o
33 1 0 10073.41 10864.29 1406.28 o
35 1 0 3778.38 3978.61 1125.66 o
37 1 0 2661.87 3315.05 1099.93 o
0 2 0 17770.71 18599.59 768.44 o
2 2 0 14369.39 14207.91 712.51 o
4 2 0 33947.25 34458.18 1037.06 o
6 2 0 17.62 -452.44 452.44 o
8 2 0 175310.28 181549.16 2616.37 o
10 2 0 538.45 751.30 518.67 o
12 2 0 69384.34 73422.72 1863.07 o
14 2 0 404.98 372.44 610.13 o
16 2 0 402.23 186.85 635.55 o
18 2 0 342.40 207.18 693.99 o
20 2 0 30442.96 30073.69 1597.96 o
22 2 0 92.43 87.69 786.71 o
24 2 0 211.87 -854.09 854.09 o
26 2 0 170.06 406.70 857.89 o
28 2 0 1680.93 1474.86 909.07 o
30 2 0 127.44 57.19 893.47 o
32 2 0 2965.85 2646.51 1084.80 o
34 2 0 40.12 -94.05 940.47 o
36 2 0 8415.30 9036.55 1386.42 o
1 3 0 448.52 380.08 469.06 o
3 3 0 51168.91 48159.61 1427.83 o
5 3 0 1002.73 1041.34 518.76 o
7 3 0 68168.54 68641.66 1754.77 o
9 3 0 1403.97 1438.22 605.30 o
11 3 0 36490.91 35021.95 1451.41 o
13 3 0 4730.28 4469.89 807.15 o
15 3 0 1339.61 53.40 756.53 o
17 3 0 204.10 -35.59 709.21 o
19 3 0 25680.19 27711.65 1563.87 o
21 3 0 12349.65 11713.24 1254.99 o
23 3 0 51386.24 52314.43 2189.16 o
25 3 0 10341.09 10656.71 1302.30 o
27 3 0 21063.80 22041.82 1661.92 o
29 3 0 108.05 -869.31 970.99 o
31 3 0 2066.45 1940.27 1015.91 o
33 3 0 12.40 -766.35 871.84 o
35 3 0 1234.87 1083.08 1034.77 o
0 4 0 16098.45 16117.08 1002.28 o
2 4 0 334.03 599.94 573.24 o
4 4 0 22737.15 21652.91 1186.50 o
6 4 0 4566.96 4588.97 773.95 o
8 4 0 4276.94 4737.20 787.84 o
10 4 0 157.48 -280.88 677.42 o
12 4 0 2858.16 2739.99 829.37 o
14 4 0 34.58 -396.52 730.77 o
16 4 0 6261.77 5972.61 982.91 o
18 4 0 350.06 828.70 798.20 o
20 4 0 713.45 -66.10 877.08 o
22 4 0 3030.92 3104.63 978.07 o
24 4 0 91.52 252.91 845.16 o
26 4 0 200.76 -383.83 960.84 o
28 4 0 1480.50 861.95 981.45 o
30 4 0 93.22 -247.83 939.21 o
32 4 0 2294.81 2159.00 1022.28 o
1 5 0 81.17 82.61 685.03 o
3 5 0 4743.86 4847.66 895.97 o
5 5 0 4709.20 4645.18 890.86 o
7 5 0 1141.39 1020.86 772.96 o
9 5 0 1413.23 1830.82 793.35 o
11 5 0 3219.47 2968.89 896.77 o
13 5 0 10029.49 10644.21 1172.35 o
15 5 0 4031.22 4306.47 983.43 o
17 5 0 6487.25 6764.51 1071.83 o
19 5 0 435.81 630.43 831.25 o
21 5 0 213.52 324.09 850.27 o
23 5 0 204.04 144.89 882.04 o
25 5 0 60.57 -630.37 937.93 o
27 5 0 51.73 88.96 906.16 o
29 5 0 1234.64 1896.65 1013.16 o
0 6 0 15369.23 15093.22 1315.39 o
2 6 0 266.40 906.21 740.98 o
4 6 0 5263.78 5871.67 998.97 o
6 6 0 367.45 748.62 772.77 o
8 6 0 2400.59 2361.44 907.95 o
10 6 0 236.50 0.00 827.40 o
12 6 0 4092.22 4502.06 998.62 o
14 6 0 2045.05 2022.95 999.40 o
16 6 0 2886.17 3127.17 1011.02 o
18 6 0 419.39 603.73 906.23 o
20 6 0 3776.67 4745.57 1114.21 o
22 6 0 30.93 237.66 960.80 o
24 6 0 985.64 1610.55 953.36 o
1 7 0 8.42 0.00 887.09 o
3 7 0 807.53 -498.28 1014.35 o
5 7 0 516.72 143.63 917.69 o
7 7 0 127.79 -1044.70 1044.70 o
9 7 0 199.07 -57.19 893.48 o
11 7 0 323.48 74.99 954.51 o
13 7 0 258.33 228.77 960.85 o
15 7 0 323.77 510.93 940.52 o
17 7 0 241.74 -638.02 988.80 o
-39 1 1 1543.76 2209.50 1069.16 o
-37 1 1 286.98 -87.70 904.93 o
-35 1 1 1315.49 1482.29 1005.57 o
-33 1 1 791.83 1231.72 927.92 o
-31 1 1 76.86 128.36 882.02 o
-29 1 1 10405.50 9913.01 1288.35 o
-27 1 1 16.61 -317.72 852.77 o
-25 1 1 2389.62 2486.36 914.42 o
-23 1 1 13695.74 14321.96 1229.24 o
-21 1 1 11828.51 11011.71 1094.92 o
-19 1 1 58505.14 55553.10 1929.06 o
-17 1 1 35958.28 35466.54 1450.09 o
-15 1 1 6628.92 6146.23 789.16 o
-13 1 1 12316.00 11873.25 871.21 o
-11 1 1 239.25 326.67 495.72 o
-9 1 1 40667.60 43787.71 1250.55 o
-7 1 1 40663.92 44180.77 1123.16 o
-5 1 1 9696.91 10586.93 552.00 o
-3 1 1 175287.98 180506.05 1756.63 o
-1 1 1 203013.92 202686.70 1788.34 o
1 1 1 197268.45 197493.83 1843.14 o
3 1 1 19183.04 19420.37 679.46 o
5 1 1 23953.79 25672.72 857.79 o
7 1 1 46898.56 49040.67 1302.72 o
9 1 1 575.36 650.93 488.20 o
11 1 1 940.57 681.55 556.94 o
13 1 1 26606.79 26718.33 1272.91 o
15 1 1 45984.43 44670.20 1620.96 o
17 1 1 54536.81 53201.34 1877.39 o
19 1 1 22698.64 21785.05 1368.13 o
21 1 1 20106.26 18522.00 1400.66 o
23 1 1 6.84 318.99 784.14 o
25 1 1 437.70 -71.18 870.67 o
27 1 1 4552.42 4506.87 1057.37 o
29 1 1 0.99 177.93 840.06 o
31 1 1 26.38 96.59 893.44 o
33 1 1 2692.54 2908.27 1115.24 o
35 1 1 1724.49 -527.61 1159.48 o
37 1 1 1800.68 1360.35 1117.52 o
-38 2 1 6.79 -357.12 987.49 o
-36 2 1 29.84 -996.39 996.39 o
-34 2 1 2549.33 3648.25 1052.89 o
-32 2 1 129.58 -959.55 959.55 o
-30 2 1 58.88 254.18 828.63 o
-28 2 1 1248.52 1294.19 887.37 o
-26 2 1 91.99 -352.05 915.07 o
-24 2 1 3784.34 3503.91 956.77 o
-22 2 1 826.87 -250.43 816.12 o
-20 2 1 1555.92 1274.10 761.66 o
-18 2 1 9927.87 9705.21 1007.64 o
-16 2 1 13.78 0.00 554.11 o
-14 2 1 40018.15 40886.01 1510.04 o
-12 2 1 18423.05 19240.95 1070.51 o
-10 2 1 1835.20 1912.00 547.01 o
-8 2 1 25401.66 26582.33 1017.39 o
-6 2 1 10583.68 10621.27 694.69 o
-4 2 1 15395.16 15207.10 728.06 o
-2 2 1 8053.99 8105.54 590.47 o
0 2 1 77.82 -159.58 518.55 o
2 2 1 16196.37 16224.77 749.05 o
4 2 1 24554.02 25389.32 948.61 o
6 2 1 77466.70 80333.34 1680.36 o
8 2 1 24900.48 24626.26 1061.02 o
10 2 1 60360.40 58871.70 1646.11 o
12 2 1 12541.65 12645.96 958.41 o
14 2 1 73702.63 72702.38 2070.52 o
16 2 1 3892.99 3870.33 832.36 o
18 2 1 4678.95 4909.63 891.04 o
20 2 1 5547.26 5685.74 962.48 o
22 2 1 497.17 465.22 790.61 o
24 2 1 3214.71 3681.22 968.01 o
26 2 1 6011.65 4985.85 1092.13 o
28 2 1 4382.37 5072.50 1041.98 o
30 2 1 10647.13 10631.88 1369.60 o
32 2 1 1154.69 1648.77 1016.98 o
34 2 1 5502.02 5528.48 1262.20 o
36 2 1 215.32 -629.12 1141.31 o
-35 3 1 597.71 -926.60 926.60 o
-33 3 1 183.99 292.32 926.52 o
-31 3 1 22.95 120.74 917.59 o
-29 3 1 182.75 -618.95 861.70 o
-27 3 1 4.36 -222.41 735.85 o
-25 3 1 5.12 0.00 862.94 o
-23 3 1 2603.76 2413.90 966.58 o
-21 3 1 4004.37 4015.66 939.02 o
-19 3 1 1514.67 1483.83 799.77 o
-17 3 1 572.63 837.68 692.77 o
-15 3 1 2135.24 2234.65 724.96 o
-13 3 1 15594.69 15322.24 1048.24 o
-11 3 1 15285.98 15655.91 1017.81 o
-9 3 1 44735.60 43525.20 1479.97 o
-7 3 1 7550.20 7401.10 744.70 o
-5 3 1 12575.28 12839.25 830.90 o
-3 3 1 1799.02 1883.81 524.06 o
-1 3 1 13156.31 13071.87 822.35 o
1 3 1 3649.36 3176.41 565.26 o
3 3 1 7623.48 7904.97 707.85 o
5 3 1 37010.28 36024.22 1297.01 o
7 3 1 35782.39 36157.33 1352.11 o
9 3 1 17596.11 17831.44 1069.99 o
11 3 1 40698.88 40413.65 1574.27 o
13 3 1 122.92 277.07 645.64 o
15 3 1 3569.18 3742.16 827.07 o
17 3 1 264.64 509.67 742.26 o
19 3 1 1353.50 1333.70 827.68 o
21 3 1 775.74 199.57 826.26 o
23 3 1 47.52 526.16 850.24 o
25 3 1 2119.11 2911.89 925.70 o
27 3 1 1673.55 -465.33 987.88 o
29 3 1 81.02 -322.81 935.39 o
31 3 1 69.65 -915.06 915.06 o
33 3 1 262.64 747.33 932.89 o
-34 4 1 21.32 -993.84 993.84 o
-32 4 1 114.54 7.63 932.86 o
-30 4 1 4901.17 5067.37 1155.20 o
-28 4 1 2957.81 2705.00 1082.26 o
-26 4 1 26159.09 28042.47 1806.84 o
-24 4 1 1870.39 2171.69 945.98 o
-22 4 1 36688.87 39509.66 1928.14 o
-20 4 1 426.64 -902.44 902.44 o
-18 4 1 13123.46 13005.98 1233.50 o
-16 4 1 1948.77 2280.02 839.27 o
-14 4 1 539.06 545.30 728.34 o
-12 4 1 4860.80 5083.89 864.29 o
-10 4 1 57999.71 58309.88 1923.58 o
-8 4 1 9049.93 8941.94 908.98 o
-6 4 1 91730.09 91532.70 2258.77 o
-4 4 1 5721.12 5417.59 779.40 o
-2 4 1 27564.91 27736.12 1265.69 o
0 4 1 2082.22 2096.77 462.52 o
2 4 1 1437.35 1298.26 623.06 o
4 4 1 6264.94 5948.32 793.53 o
6 4 1 7519.15 7643.98 861.37 o
8 4 1 2408.64 2253.85 731.36 o
10 4 1 323.32 -52.11 674.92 o
12 4 1 4606.45 4486.30 890.90 o
14 4 1 2780.64 2645.64 857.29 o
16 4 1 1840.32 2489.71 859.57 o
18 4 1 10711.30 10883.65 1214.68 o
20 4 1 41.47 517.26 799.40 o
22 4 1 19630.09 18858.42 1532.48 o
24 4 1 345.25 568.14 880.80 o
26 4 1 11848.89 12405.49 1392.83 o
28 4 1 678.64 864.34 987.63 o
30 4 1 66.53 312.64 931.58 o
32 4 1 338.15 410.53 996.45 o
-29 5 1 391.60 470.27 935.45 o
-27 5 1 742.02 1342.28 907.56 o
-25 5 1 586.60 624.09 924.06 o
-23 5 1 23.73 -593.51 902.34 o
-21 5 1 168.99 142.35 807.05 o
-19 5 1 1109.96 915.29 877.16 o
-17 5 1 1447.95 -263.17 928.09 o
-15 5 1 928.10 1770.79 812.30 o
-13 5 1 3309.00 3769.02 927.31 o
-11 5 1 118.51 -583.36 772.73 o
-9 5 1 5771.28 5593.47 953.46 o
-7 5 1 3262.25 3773.04 828.13 o
-5 5 1 5471.08 5432.91 888.51 o
-3 5 1 1124.79 1298.02 744.99 o
-1 5 1 13894.77 13869.20 1152.36 o
1 5 1 184.13 -428.31 760.04 o
3 5 1 19155.55 18042.27 1301.06 o
5 5 1 244.63 -442.30 808.35 o
7 5 1 14073.40 14816.74 1223.67 o
9 5 1 2060.70 2212.62 871.06 o
11 5 1 1725.63 2214.93 862.07 o
13 5 1 2631.70 2122.59 936.03 o
15 5 1 1198.24 1425.11 803.45 o
17 5 1 1831.86 1791.50 912.91 o
19 5 1 1120.33 1460.65 908.93 o
21 5 1 784.79 1135.11 905.04 o
23 5 1 466.44 574.50 907.51 o
25 5 1 418.09 113.12 951.98 o
27 5 1 28.22 116.92 915.05 o
-24 6 1 0.60 0.00 734.58 o
-22 6 1 1697.63 1875.24 1041.24 o
-20 6 1 0.10 -926.48 926.48 o
-18 6 1 13921.88 14461.80 1464.79 o
-16 6 1 23.39 658.33 875.65 o
-14 6 1 17002.24 17084.87 1462.23 o
-12 6 1 1269.10 1538.25 879.72 o
-10 6 1 4644.31 4501.50 996.23 o
-8 6 1 27.60 625.28 777.79 o
-6 6 1 52.86 119.47 773.98 o
-4 6 1 4.31 -856.58 856.58 o
-2 6 1 968.78 1371.63 804.67 o
0 6 1 65.19 -279.28 573.71 o
2 6 1 5089.02 5146.08 981.12 o
4 6 1 91.39 268.16 756.20 o
6 6 1 397.87 -790.57 790.57 o
8 6 1 120.81 -461.35 787.98 o
10 6 1 6310.58 6557.53 1090.80 o
12 6 1 9.51 -416.85 866.75 o
14 6 1 15609.82 16238.89 1502.47 o
16 6 1 945.61 766.51 952.10 o
18 6 1 5007.69 5220.18 1157.78 o
20 6 1 1.29 -313.91 887.08 o
22 6 1 611.98 761.36 955.83 o
24 6 1 17.37 108.03 954.44 o
-17 7 1 315.27 455.01 943.06 o
-15 7 1 3680.84 3528.16 1117.97 o
-13 7 1 67.01 7.63 917.60 o
-11 7 1 2484.92 2843.23 1005.81 o
-9 7 1 1833.42 1637.56 966.26 o
-7 7 1 2850.90 3298.76 1036.42 o
-5 7 1 6795.29 8316.46 1196.43 o
-3 7 1 5982.89 6159.27 1169.50 o
-1 7 1 8268.58 9125.19 1263.04 o
1 7 1 11027.76 11846.89 1384.83 o
3 7 1 4709.30 4134.69 1131.00 o
5 7 1 6239.17 6935.84 1186.09 o
7 7 1 2271.07 2746.48 1019.76 o
9 7 1 2766.12 4140.49 1022.41 o
11 7 1 2704.09 2934.90 1046.54 o
13 7 1 1967.59 2719.56 1014.59 o
15 7 1 4597.80 4844.12 1225.02 o
-40 0 2 176.66 233.85 974.81 o
-38 0 2 669.73 -697.82 971.10 o
-36 0 2 3188.85 2500.34 1121.72 o
-34 0 2 3513.27 4407.25 1104.04 o
-32 0 2 29231.56 28781.80 1863.66 o
-30 0 2 6408.95 6147.39 1154.62 o
-28 0 2 33234.14 34533.48 1905.91 o
-26 0 2 12197.46 12072.69 1251.27 o
-24 0 2 9263.39 8540.36 1097.50 o
-22 0 2 2245.64 1868.41 793.66 o
-20 0 2 37263.48 36750.98 1590.64 o
-18 0 2 270.24 650.77 597.39 o
-16 0 2 14639.77 14283.99 1003.37 o
-14 0 2 9852.41 9944.76 802.43 o
-12 0 2 98.30 128.37 499.49 o
-10 0 2 129851.07 128001.41 2104.24 o
-8 0 2 6493.96 6696.95 606.02 o
-6 0 2 19268.94 19951.30 713.10 o
-4 0 2 457841.16 469163.94 3256.21 o
-2 0 2 5486.83 5704.74 329.46 o
0 0 2 430122.91 370889.69 29676.49 o
2 0 2 17665.27 17793.49 674.93 o
4 0 2 20482.73 20799.96 828.16 o
6 0 2 130278.57 128397.28 2072.05 o
8 0 2 155774.66 156911.64 2487.96 o
10 0 2 2552.31 2376.19 607.09 o
12 0 2 66729.15 64003.69 1818.74 o
14 0 2 2350.97 2588.94 698.44 o
16 0 2 247234.05 238703.19 3927.45 o
18 0 2 539.29 208.47 751.24 o
20 0 2 82409.82 79669.83 2466.11 o
22 0 2 5647.16 5784.83 1040.10 o
24 0 2 180.29 357.14 880.77 o
26 0 2 3894.09 3577.43 1061.02 o
28 0 2 2354.77 2160.51 943.56 o
30 0 2 1994.97 2199.68 1007.02 o
32 0 2 2746.47 2784.97 1122.89 o
34 0 2 187.81 634.20 963.38 o
36 0 2 1897.45 1690.94 1102.29 o
-39 1 2 576.44 -88.97 1038.44 o
-37 1 2 1036.40 1006.77 1022.03 o
-35 1 2 4109.49 4317.40 1127.05 o
-33 1 2 1264.92 0.00 1074.23 o
-31 1 2 2506.58 0.00 1065.68 o
-29 1 2 4210.31 3081.54 1026.76 o
-27 1 2 6712.27 6091.49 1075.94 o
-25 1 2 6761.03 6161.20 1040.45 o
-23 1 2 21175.98 19547.28 1350.07 o
-21 1 2 21487.02 21205.47 1312.62 o
-19 1 2 28714.45 29110.03 1420.03 o
-17 1 2 20669.00 20280.95 1192.47 o
-15 1 2 37105.53 39361.40 1464.30 o
-13 1 2 86744.80 87088.57 1975.02 o
-11 1 2 78598.89 81678.88 1798.39 o
-9 1 2 5013.50 5278.07 604.59 o
-7 1 2 2098.71 1806.58 495.25 o
-5 1 2 4911.70 5259.54 472.45 o
-3 1 2 780.93 545.66 319.26 o
-1 1 2 224.91 0.00 316.53 o
1 1 2 7490.71 7795.63 505.71 o
3 1 2 2095.83 2234.49 455.81 o
5 1 2 3018.65 3562.74 540.08 o
7 1 2 789.96 1008.33 494.63 o
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