Information card for entry 7016047
Formula |
C63 H51 Fe2 N7 O Se4 |
Calculated formula |
C63 H51 Fe2 N7 O Se4 |
SMILES |
[Se]([Fe]([Se]c1ccccc1)([Se]c1ccccc1)[Se]c1ccccc1)c1ccccc1.[Fe]123([n]4cccc5ccc6ccc[n]1c6c45)([n]1cccc4ccc5ccc[n]2c5c14)[n]1cccc2ccc4ccc[n]3c4c12.N(C)(C)C=O |
Title of publication |
Homoleptic 1-D iron selenolate complexes-synthesis, structure, magnetic and thermal behaviour of [Fe(SeR)(2)] (R = Ph, Mes). |
Authors of publication |
Eichhöfer, Andreas; Buth, Gernot; Dolci, Francesco; Fink, Karin; Mole, Richard A.; Wood, Paul T. |
Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
Year of publication |
2011 |
Journal volume |
40 |
Journal issue |
26 |
Pages of publication |
7022 - 7032 |
a |
13.29 ± 0.003 Å |
b |
13.461 ± 0.003 Å |
c |
16.475 ± 0.003 Å |
α |
88.85 ± 0.03° |
β |
77.74 ± 0.03° |
γ |
89.44 ± 0.03° |
Cell volume |
2879.5 ± 1.1 Å3 |
Cell temperature |
190 ± 2 K |
Ambient diffraction temperature |
190 ± 2 K |
Number of distinct elements |
6 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.059 |
Residual factor for significantly intense reflections |
0.0474 |
Weighted residual factors for significantly intense reflections |
0.1471 |
Weighted residual factors for all reflections included in the refinement |
0.1558 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.029 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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