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Information card for entry 4080769
Preview
Coordinates | 4080769.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H41 B Fe2 O7 Ru2 Si |
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Calculated formula | C32 H41 B Fe2 O7 Ru2 Si |
SMILES | [c]12([c]3([c]4([c]5([c]1(C)[Ru]167892345[C]2(=O)[Fe]3457(C#[O])(C#[O])[CH]76[C]63([BH]34[Fe]876(C#[O])(C#[O])(C#[O])[Ru]46789253([c]2([c]4([c]6([c]7([c]82C)C)C)C)C)C1=O)[Si](C)(C)C)C)C)C)C |
Title of publication | Chemistry of Homo- and Heterometallic Bridged-Borylene Complexes |
Authors of publication | Yuvaraj, K.; Roy, Dipak Kumar; Geetharani, K.; Mondal, Bijan; Anju, V. P.; Shankhari, Pritam; Ramkumar, V.; Ghosh, Sundargopal |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 9 |
Pages of publication | 2705 |
a | 11.5889 ± 0.0015 Å |
b | 16.792 ± 0.003 Å |
c | 17.681 ± 0.003 Å |
α | 88.594 ± 0.006° |
β | 89.689 ± 0.006° |
γ | 89.718 ± 0.006° |
Cell volume | 3439.6 ± 1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1111 |
Residual factor for significantly intense reflections | 0.0724 |
Weighted residual factors for significantly intense reflections | 0.161 |
Weighted residual factors for all reflections included in the refinement | 0.1858 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
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/4080769.html
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Users of the data should acknowledge the original authors of the
structural data.