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Information card for entry 4080448
Preview
Coordinates | 4080448.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H35 B Cl3 N9 Ru |
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Calculated formula | C23 H35 B Cl3 N9 Ru |
SMILES | [BH]1(n2c(C)nc(C)[n]2[Ru]23456([c]7([cH]6[cH]5[c]4([cH]3[cH]27)C(C)C)C)(Cl)[n]2c(C)nc(C)n12)n1c(C)nc(C)n1.C(Cl)Cl |
Title of publication | Ruthenium Complexes of Triazole-Based Scorpionate Ligands Transfer Hydrogen to Substrates under Base-Free Conditions |
Authors of publication | Kumar, Mukesh; DePasquale, Joseph; White, Nicholas J.; Zeller, Matthias; Papish, Elizabeth T. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 7 |
Pages of publication | 2135 |
a | 11.454 ± 0.002 Å |
b | 11.704 ± 0.002 Å |
c | 20.894 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2801 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0272 |
Residual factor for significantly intense reflections | 0.0253 |
Weighted residual factors for significantly intense reflections | 0.0549 |
Weighted residual factors for all reflections included in the refinement | 0.0569 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4080448.html
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