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Information card for entry 4078471
Preview
Coordinates | 4078471.cif |
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Original paper (by DOI) | HTML |
Formula | C54 H76 Cl4 Fe2 N4 |
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Calculated formula | C54 H76 Cl4 Fe2 N4 |
SMILES | C1(N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=[Fe]1([Cl][Fe](=C2N(CCN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)([Cl]1)Cl)Cl |
Title of publication | Three-Coordinate Iron(II) N-Heterocyclic Carbene Alkyl Complexes |
Authors of publication | Danopoulos, Andreas A.; Braunstein, Pierre; Wesolek, Marcel; Monakhov, Kirill Yu.; Rabu, Pierre; Robert, Vincent |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 11 |
Pages of publication | 4102 |
a | 12.4319 ± 0.0005 Å |
b | 14.0115 ± 0.0007 Å |
c | 19.976 ± 0.0007 Å |
α | 90° |
β | 123.29 ± 0.002° |
γ | 90° |
Cell volume | 2908.6 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1049 |
Residual factor for significantly intense reflections | 0.0495 |
Weighted residual factors for significantly intense reflections | 0.1127 |
Weighted residual factors for all reflections included in the refinement | 0.1323 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4078471.html
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