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Information card for entry 4081129
Preview
Coordinates | 4081129.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H25 Cl Ir N3 |
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Calculated formula | C26 H25 Cl Ir N3 |
SMILES | [Ir]12345(Cl)([n]6c7n(cc6)c6ncccc6cc7c6c4cccc6)[c]4([c]2([c]1([c]3([c]54C)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 | 8.4305 ± 0.0014 Å |
b | 8.9632 ± 0.0015 Å |
c | 15.168 ± 0.003 Å |
α | 88.613 ± 0.003° |
β | 81.547 ± 0.003° |
γ | 75.942 ± 0.003° |
Cell volume | 1099.7 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0324 |
Residual factor for significantly intense reflections | 0.03 |
Weighted residual factors for significantly intense reflections | 0.0675 |
Weighted residual factors for all reflections included in the refinement | 0.0689 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.81 |
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/4081129.html
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