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Information card for entry 4081974
Preview
Coordinates | 4081974.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C70 H72 Cl2 N4 P2 Ru2 |
---|---|
Calculated formula | C70 H72 Cl2 N4 P2 Ru2 |
SMILES | c12c3ccc[n]1[Ru]14567([P](CCC8c9ccc[n]%10c9c9c8ccc[n]9[Ru]89%11%12%10([P](CCC3c3ccc[n]7c23)(c2ccccc2)c2ccccc2)[c]2([c]%12([c]%11([c]9([c]82C)C)C)C)C)(c2ccccc2)c2ccccc2)[c]2([c]6([c]5([c]4([c]12C)C)C)C)C.[Cl-].[Cl-] |
Title of publication | RuCp* Complexes of Ambidentate 4,5-Diazafluorene Derivatives: From Linkage Isomers to Coordination-Driven Self-Assembly |
Authors of publication | Annibale, Vincent T.; Batcup, Rhys; Bai, Tao; Hughes, Sarah J.; Song, Datong |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 21 |
Pages of publication | 6511 |
a | 17.5777 ± 0.0005 Å |
b | 13.3783 ± 0.0004 Å |
c | 17.7492 ± 0.0004 Å |
α | 90° |
β | 118.886 ± 0.001° |
γ | 90° |
Cell volume | 3654.59 ± 0.18 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0609 |
Residual factor for significantly intense reflections | 0.0418 |
Weighted residual factors for significantly intense reflections | 0.1163 |
Weighted residual factors for all reflections included in the refinement | 0.1238 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
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/4081974.html
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Users of the data should acknowledge the original authors of the
structural data.