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Information card for entry 4074476
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4074476.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H53 F6 P Ru3 |
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Calculated formula | C35 H53 F6 P Ru3 |
SMILES | [Ru]123456789([Ru]%10%11%12%13%14%15%16([H]8)([CH]82[C]2%15([Ru]%15%17%18%19%2018([H]9)([CH]%162[CH]3%10%17)[c]1([c]%15([c]%20([c]%18([c]%191C)C)C)C)C)C)[c]1([c]%11([c]%12([c]%13([c]%141C)C)C)C)C)[c]1([c]4([c]5([c]6([c]71C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Oxidation-Induced Rearrangement from anido- to acloso-Ruthenacyclopentadiene |
Authors of publication | Takao, Toshiro; Inagaki, Akiko; Imamura, Tsubomi; Suzuki, Hiroharu |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 23 |
Pages of publication | 5511 |
a | 15.18 ± 0.005 Å |
b | 15.044 ± 0.008 Å |
c | 17.907 ± 0.006 Å |
α | 90° |
β | 94.82 ± 0.03° |
γ | 90° |
Cell volume | 4075 ± 3 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0847 |
Residual factor for significantly intense reflections | 0.0516 |
Weighted residual factors for significantly intense reflections | 0.1493 |
Weighted residual factors for all reflections included in the refinement | 0.1722 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4074476.html
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Users of the data should acknowledge the original authors of the
structural data.