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Information card for entry 2208346
Preview
Coordinates | 2208346.cif |
---|---|
Structure factors | 2208346.hkl |
Original IUCr paper | HTML |
Chemical name | tert-Butyl isocyanide-1κC-di-μ-carbonyl-2:3κ^4^C-nonacarbonyl- 1κ^3^C,2κ^3^C,3κ^3^C-triangulo-diironosmium |
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Formula | C16 H9 Fe2 N O11 Os |
Calculated formula | C16 H9 Fe2 N O11 Os |
SMILES | C(#[N]C(C)(C)C)[Os]1(C#[O])(C#[O])(C#[O])[Fe]23(C#[O])(C#[O])(C#[O])C(=O)[Fe]13(C#[O])(C#[O])(C#[O])C2=O |
Title of publication | <i>tert</i>-Butyl isocyanide-1κ<i>C</i>-di-μ-carbonyl-2:3κ^4^<i>C</i>-nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-<i>triangulo</i>-diironosmium |
Authors of publication | Tegel, Marcus; Evans, Cameron; Farrugia, Louis J. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 3 |
Pages of publication | m475 - m477 |
a | 11.6861 ± 0.0002 Å |
b | 11.6142 ± 0.0002 Å |
c | 15.5189 ± 0.0002 Å |
α | 90° |
β | 107.829 ± 0.001° |
γ | 90° |
Cell volume | 2005.14 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0234 |
Residual factor for significantly intense reflections | 0.022 |
Weighted residual factors for significantly intense reflections | 0.0534 |
Weighted residual factors for all reflections included in the refinement | 0.0538 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2208346.html
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Users of the data should acknowledge the original authors of the
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