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Information card for entry 4111375
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Coordinates | 4111375.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H18 Fe |
---|---|
Calculated formula | C17 H18 Fe |
Title of publication | Strain-Controlled, Photochemically, or Thermally Promoted Haptotropic Shifts of Cyclopentadienyl Ligands in Group 8 Metallocenophanes |
Authors of publication | David E. Herbert; Makoto Tanabe; Sara C. Bourke; Alan J. Lough; Ian Manners |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 4166 - 4176 |
a | 10.6044 ± 0.0008 Å |
b | 7.4583 ± 0.0005 Å |
c | 16.4746 ± 0.0014 Å |
α | 90° |
β | 95.097 ± 0.004° |
γ | 90° |
Cell volume | 1297.84 ± 0.17 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 3 |
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 | 0.1501 |
Residual factor for significantly intense reflections | 0.0579 |
Weighted residual factors for significantly intense reflections | 0.1159 |
Weighted residual factors for all reflections included in the refinement | 0.149 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.976 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4111375.html
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