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Information card for entry 4339848
Preview
Coordinates | 4339848.cif |
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Original paper (by DOI) | HTML |
Formula | C43 H61 Fe N5 |
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Calculated formula | C43 H61 Fe N5 |
SMILES | [Fe]12([N](=C(C)c3[n]1c(ccc3)C(=[N]2c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)(C#[N]C(C)(C)C)C#[N]C(C)(C)C |
Title of publication | Neutral-ligand complexes of bis(imino)pyridine iron: synthesis, structure, and spectroscopy. |
Authors of publication | Bart, Suzanne C.; Lobkovsky, Emil; Bill, Eckhard; Wieghardt, Karl; Chirik, Paul J. |
Journal of publication | Inorganic chemistry |
Year of publication | 2007 |
Journal volume | 46 |
Journal issue | 17 |
Pages of publication | 7055 - 7063 |
a | 11.4081 ± 0.0007 Å |
b | 14.9988 ± 0.0008 Å |
c | 23.7741 ± 0.0013 Å |
α | 90° |
β | 93.337 ± 0.002° |
γ | 90° |
Cell volume | 4061 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0526 |
Residual factor for significantly intense reflections | 0.0372 |
Weighted residual factors for significantly intense reflections | 0.0972 |
Weighted residual factors for all reflections included in the refinement | 0.1084 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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