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Information card for entry 7041535
Preview
Coordinates | 7041535.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H48 Cl2 P2 Ru |
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Calculated formula | C60 H48 Cl2 P2 Ru |
SMILES | [Ru]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)(C#CC(=C(c5ccccc5)c5ccccc5)C#C)[cH]5[cH]1[cH]2[cH]3[cH]45.ClCCl |
Title of publication | Sandwich and half-sandwich metal complexes derived from cross-conjugated 3-methylene-penta-1,4-diynes. |
Authors of publication | Vincent, Kevin B.; Gluyas, Josef B. G.; Zeng, Qiang; Yufit, Dmitry S.; Howard, Judith A. K.; Hartl, František; Low, Paul J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2017 |
Journal volume | 46 |
Journal issue | 17 |
Pages of publication | 5522 - 5531 |
a | 10.4352 ± 0.0006 Å |
b | 24.6836 ± 0.0013 Å |
c | 18.6025 ± 0.001 Å |
α | 90° |
β | 98.39 ± 0.001° |
γ | 90° |
Cell volume | 4740.3 ± 0.4 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 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 | 0.037 |
Residual factor for significantly intense reflections | 0.0294 |
Weighted residual factors for significantly intense reflections | 0.0732 |
Weighted residual factors for all reflections included in the refinement | 0.0792 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Diffraction radiation X-ray symbol | K-L~3~ |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7041535.html
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Users of the data should acknowledge the original authors of the
structural data.