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Information card for entry 4082645
Preview
Coordinates | 4082645.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H21 Cl N4 O |
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Calculated formula | C21 H21 Cl N4 O |
SMILES | c1n(c2ccccc2)nc([n+]1c1ccccc1)Nc1ccccc1.CO.[Cl-] |
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 | 13.6869 ± 0.001 Å |
b | 10.0088 ± 0.0006 Å |
c | 14.2901 ± 0.0011 Å |
α | 90° |
β | 97.194 ± 0.006° |
γ | 90° |
Cell volume | 1942.2 ± 0.2 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0537 |
Residual factor for significantly intense reflections | 0.0317 |
Weighted residual factors for significantly intense reflections | 0.0644 |
Weighted residual factors for all reflections included in the refinement | 0.0691 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.892 |
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/4082645.html
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