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Information card for entry 4111370
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Coordinates | 4111370.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H36 P2 Ru |
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Calculated formula | C22 H36 P2 Ru |
SMILES | [Ru]123456([P](CC[P]1(C)C)(C)C)[c]1([cH]2[cH]3[cH]4[cH]51)C(C(C1=CC=CC61)(C)C)(C)C |
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 | 27.5842 ± 0.0004 Å |
b | 11.3235 ± 0.0004 Å |
c | 14.7297 ± 0.0009 Å |
α | 90° |
β | 104.284 ± 0.0018° |
γ | 90° |
Cell volume | 4458.6 ± 0.3 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 4 |
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 | 0.1046 |
Residual factor for significantly intense reflections | 0.0522 |
Weighted residual factors for significantly intense reflections | 0.115 |
Weighted residual factors for all reflections included in the refinement | 0.1366 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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