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Information card for entry 4081981
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Coordinates | 4081981.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H42 N2 Ru |
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Calculated formula | C39 H42 N2 Ru |
SMILES | [Ru]123456789([c]%10([c]1([cH]2[c]3([cH]4[c]5%10C)C)C)c1nc2c(cc1)[CH-]c1c2nc(cc1)c1c(cc(cc1C)C)C)[c]1([c]9([c]8([c]7([c]61C)C)C)C)C |
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 | 9.8592 ± 0.0007 Å |
b | 16.5819 ± 0.0013 Å |
c | 19.8372 ± 0.0016 Å |
α | 90° |
β | 102.778 ± 0.003° |
γ | 90° |
Cell volume | 3162.8 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1032 |
Residual factor for significantly intense reflections | 0.0502 |
Weighted residual factors for significantly intense reflections | 0.0984 |
Weighted residual factors for all reflections included in the refinement | 0.1146 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
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/4081981.html
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