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Information card for entry 4081550
Preview
Coordinates | 4081550.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H28 O Ru |
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Calculated formula | C23 H28 O Ru |
SMILES | [Ru]123456(C7[CH]1=[CH]2c1c(C7(C)C)cccc1)([c]1([c]6([c]5([c]4([c]31C)C)C)C)C)C#[O] |
Title of publication | Half-Open Ferrocenes and Ruthenocenes Containing an Edge-Bridged Open Indenyl Ligand |
Authors of publication | Volbeda, Jeroen; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 20 |
Pages of publication | 5918 |
a | 8.1412 ± 0.0002 Å |
b | 18.4127 ± 0.0002 Å |
c | 13.4624 ± 0.0002 Å |
α | 90° |
β | 98.8 ± 0.002° |
γ | 90° |
Cell volume | 1994.28 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0184 |
Residual factor for significantly intense reflections | 0.0182 |
Weighted residual factors for significantly intense reflections | 0.0469 |
Weighted residual factors for all reflections included in the refinement | 0.047 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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