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Information card for entry 7113397
Preview
Coordinates | 7113397.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | compound 5 |
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Formula | C29 H29 Ir N3 P |
Calculated formula | C29 H29 Ir N3 P |
SMILES | [Ir]1234([P](Cc5n1nc(c5)c1ncccc1)(c1ccccc1)c1ccccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1 |
Title of publication | Selective synthesis of isomeric heterodinuclear complexes with switched metal arrangements via proton-induced reversible metal migration. |
Authors of publication | Dubs, Christian; Inagaki, Akiko; Akita, Munetaka |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2004 |
Journal issue | 23 |
Pages of publication | 2760 - 2761 |
a | 9.341 ± 0.005 Å |
b | 9.958 ± 0.005 Å |
c | 13.571 ± 0.009 Å |
α | 92.45 ± 0.05° |
β | 102.39 ± 0.04° |
γ | 98.18 ± 0.02° |
Cell volume | 1216.9 ± 1.2 Å3 |
Cell temperature | 213 K |
Ambient diffraction temperature | 213 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 | 0.0799 |
Residual factor for significantly intense reflections | 0.0584 |
Weighted residual factors for significantly intense reflections | 0.1363 |
Weighted residual factors for all reflections included in the refinement | 0.1468 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
Diffraction radiation wavelength | 0.71075 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/7113397.html
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