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Information card for entry 4071400
Preview
Coordinates | 4071400.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H33 Br P2 Ru |
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Calculated formula | C36 H33 Br P2 Ru |
SMILES | [Ru]12345(Br)([P](c6ccccc6)(c6ccccc6)[C@@H]6[C@@H]7C=C[C@@H](C7)[C@H]6[P]1(c1ccccc1)c1ccccc1)[cH]1[cH]5[cH]4[cH]3[cH]21 |
Title of publication | Pyramidal Stability of Chiral-at-Metal Half-Sandwich 16-Electron Fragments [CpRu(P−P′)] |
Authors of publication | Brunner, Henri; Muschiol, Manfred; Tsuno, Takashi; Takahashi, Takemoto; Zabel, Manfred |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 14 |
Pages of publication | 3514 |
a | 12.45942 ± 0.0001 Å |
b | 15.52669 ± 0.00014 Å |
c | 15.69572 ± 0.00014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3036.39 ± 0.05 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0208 |
Residual factor for significantly intense reflections | 0.0203 |
Weighted residual factors for significantly intense reflections | 0.0526 |
Weighted residual factors for all reflections included in the refinement | 0.0528 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
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/4071400.html
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