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Information card for entry 4107773
Preview
Coordinates | 4107773.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | holph19 |
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Formula | C70 H106 Fe2 N6 O2 |
Calculated formula | C70 H106 Fe2 N6 O2 |
SMILES | N1(c2c(cccc2C(C)C)C(C)C)C(C)=CC(=[N]([Fe]21[N](=CC)[Fe]1([N](c3c(cccc3C(C)C)C(C)C)=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)[N]2=CC)c1c(cccc1C(C)C)C(C)C)C.C1CCCO1.C1CCCO1 |
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 | 13.4952 ± 0.001 Å |
b | 13.7544 ± 0.001 Å |
c | 18.0711 ± 0.0014 Å |
α | 90° |
β | 101.095 ± 0.001° |
γ | 90° |
Cell volume | 3291.6 ± 0.4 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 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 | 0.0475 |
Residual factor for significantly intense reflections | 0.0386 |
Weighted residual factors for significantly intense reflections | 0.098 |
Weighted residual factors for all reflections included in the refinement | 0.103 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.