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Information card for entry 4081983
Preview
Coordinates | 4081983.cif |
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Original paper (by DOI) | HTML |
Formula | C43 H52 N2 O Ru |
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Calculated formula | C43 H52 N2 O Ru |
SMILES | [Ru]12345678([c]9%10ccc(n[c]19[c]12nc(cc[c]31[cH]4%10)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C.O(CC)CC |
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 | 13.683 ± 0.0005 Å |
b | 12.5297 ± 0.0005 Å |
c | 22.1209 ± 0.0007 Å |
α | 90° |
β | 105.315 ± 0.002° |
γ | 90° |
Cell volume | 3657.8 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0491 |
Residual factor for significantly intense reflections | 0.0333 |
Weighted residual factors for significantly intense reflections | 0.0715 |
Weighted residual factors for all reflections included in the refinement | 0.0775 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
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/4081983.html
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