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Information card for entry 4078368
Preview
Coordinates | 4078368.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H16 Ru |
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Calculated formula | C16 H16 Ru |
SMILES | [Ru]12345678([CH]9=[CH]1[CH]2=[CH]3[CH]4=[CH]5C=C9)[CH]1=[CH]6[CH]7=[CH]8C=CC=C1 |
Title of publication | Synthesis, Structure, and Fluxional Behavior of Bis(cyclooctatetraene)ruthenium(0) and Its Derivatives |
Authors of publication | Bennett, Martin A.; Neumann, Horst; Willis, Anthony C.; Ballantini, Valter; Pertici, Paolo; Mann, Brian E. |
Journal of publication | Organometallics |
Year of publication | 1997 |
Journal volume | 16 |
Journal issue | 13 |
Pages of publication | 2868 |
a | 12.067 ± 0.002 Å |
b | 12.359 ± 0.002 Å |
c | 16.76 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2499.5 ± 0.7 Å3 |
Cell temperature | 298.2 K |
Ambient diffraction temperature | 298.2 K |
Number of distinct elements | 3 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1408 |
Residual factor for significantly intense reflections | 0.0506 |
Weighted residual factors for all reflections | 0.0724 |
Weighted residual factors for significantly intense reflections | 0.0641 |
Goodness-of-fit parameter for all reflections | 1.928 |
Goodness-of-fit parameter for significantly intense reflections | 2.481 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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