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Information card for entry 4082648
Preview
Coordinates | 4082648.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H45 Cl N4 P2 Ru |
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Calculated formula | C56 H45 Cl N4 P2 Ru |
SMILES | C12N(c3c(cccc3)[Ru]=2(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)N=C(N1c1ccccc1)Nc1ccccc1 |
Title of publication | Reactions of [RuCl2(PPh3)3] with Nitron and with the “Enders Carbene”: Access to Ruthenium(III) NHC Complexes |
Authors of publication | Hitzel, Sandra; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 1 |
Pages of publication | 425 |
a | 10.8334 ± 0.0011 Å |
b | 12.99 ± 0.0013 Å |
c | 16.6442 ± 0.0018 Å |
α | 93.013 ± 0.008° |
β | 91.987 ± 0.008° |
γ | 99.918 ± 0.008° |
Cell volume | 2301.8 ± 0.4 Å3 |
Cell temperature | 143 ± 2 K |
Ambient diffraction temperature | 143 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0565 |
Residual factor for significantly intense reflections | 0.037 |
Weighted residual factors for significantly intense reflections | 0.0915 |
Weighted residual factors for all reflections included in the refinement | 0.0959 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
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/4082648.html
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