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Information card for entry 4080044
Preview
Coordinates | 4080044.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H22 B2 F8 N6 O4 Ru2 |
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Calculated formula | C30 H22 B2 F8 N6 O4 Ru2 |
SMILES | [Ru]123([Ru]4([n]5c6c(ccc5)ccc([n]26)c2n(ccc32)C)(C#[O])([n]2c3c(ccc2c2n(C)ccc42)ccc[n]13)C#[O])(C#[O])C#[O].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-] |
Title of publication | Understanding C‒H Bond Activation on a Diruthenium(I) Platform |
Authors of publication | Sinha, Arup; Majumdar, Moumita; Sarkar, Mithun; Ghatak, Tapas; Bera, Jitendra K. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 1 |
Pages of publication | 340 |
a | 14.654 ± 0.0007 Å |
b | 12.4662 ± 0.0006 Å |
c | 22.4013 ± 0.0011 Å |
α | 90° |
β | 95.43 ± 0.001° |
γ | 90° |
Cell volume | 4073.9 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0895 |
Residual factor for significantly intense reflections | 0.0573 |
Weighted residual factors for significantly intense reflections | 0.1259 |
Weighted residual factors for all reflections included in the refinement | 0.1457 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4080044.html
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Users of the data should acknowledge the original authors of the
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