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Information card for entry 4081130
Preview
Coordinates | 4081130.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H24 Cl2 Ir2 N3 |
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Calculated formula | C36 H24 Cl2 Ir2 N3 |
SMILES | [Ir]12345(Cl)(c6c[n]7[Ir]89%10%11(Cl)([c]%12([c]8([c]9([c]%11([c]%10%12C)C)C)C)C)c8ccccc8c8c7n6c6[n]1cccc6c8)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C |
Title of publication | Cyclometalations on the Imidazo[1,2-a][1,8]naphthyridine Framework |
Authors of publication | Daw, Prosenjit; Ghatak, Tapas; Doucet, Henri; Bera, Jitendra K. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 15 |
Pages of publication | 4306 |
a | 13.789 ± 0.003 Å |
b | 16.212 ± 0.003 Å |
c | 15.598 ± 0.003 Å |
α | 90° |
β | 112.676 ± 0.003° |
γ | 90° |
Cell volume | 3217.4 ± 1.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.132 |
Residual factor for significantly intense reflections | 0.0752 |
Weighted residual factors for significantly intense reflections | 0.1878 |
Weighted residual factors for all reflections included in the refinement | 0.2262 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
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/4081130.html
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Users of the data should acknowledge the original authors of the
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