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Information card for entry 4083628
Preview
Coordinates | 4083628.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C63 H57 Ir N4 O2 |
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Calculated formula | C63 H57 Ir N4 O2 |
SMILES | [Ir]123([O]4CCCC4)([n]4c5=C(c6n3c(C(=c3[n]2c(C(=c2n1c(=C(c4cc5)c1ccc(cc1)C)cc2)c1ccc(cc1)C)cc3)c1ccc(cc1)C)cc6)c1ccc(cc1)C)C(=O)c1ccc(cc1)C(C)(C)C |
Title of publication | Syntheses of Acyliridium Porphyrins by Aldehydic Carbon−Hydrogen Bond Activation with Iridium(III) Porphyrin Chloride and Methyl |
Authors of publication | Song, Xu; Chan, Kin Shing |
Journal of publication | Organometallics |
Year of publication | 2007 |
Journal volume | 26 |
Journal issue | 4 |
Pages of publication | 965 |
a | 20.648 ± 0.003 Å |
b | 13.5262 ± 0.0018 Å |
c | 20.692 ± 0.003 Å |
α | 90° |
β | 99.762 ± 0.003° |
γ | 90° |
Cell volume | 5695.4 ± 1.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.1345 |
Residual factor for significantly intense reflections | 0.0797 |
Weighted residual factors for significantly intense reflections | 0.2214 |
Weighted residual factors for all reflections included in the refinement | 0.2716 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
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/4083628.html
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