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Information card for entry 4107782
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Coordinates | 4107782.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | holas18 |
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Formula | C42 H68 Fe N4 |
Calculated formula | C42 H68 Fe N4 |
SMILES | [Fe]12(N(C=[N]1C(C)C)C(C)C)[N](=C(C(C)(C)C)C=C(N2c1c(cccc1C(C)C)C(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C |
Title of publication | The Reactivity Patterns of Low-Coordinate Iron-Hydride Complexes |
Authors of publication | Ying Yu; Azwana R. Sadique; Jeremy M. Smith; Thomas R. Dugan; Ryan E. Cowley; William W. Brennessel; Christine J. Flaschenriem; Eckhard Bill; Thomas R. Cundari; Patrick L. Holland |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 6624 - 6638 |
a | 10.878 ± 0.002 Å |
b | 12.781 ± 0.003 Å |
c | 15.368 ± 0.003 Å |
α | 98.705 ± 0.003° |
β | 99.605 ± 0.003° |
γ | 107.216 ± 0.003° |
Cell volume | 1966.1 ± 0.7 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0359 |
Residual factor for significantly intense reflections | 0.0302 |
Weighted residual factors for significantly intense reflections | 0.0795 |
Weighted residual factors for all reflections included in the refinement | 0.0832 |
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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The link is: https://www.crystallography.net/4107782.html
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