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Information card for entry 7113395
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Coordinates | 7113395.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | compound 3a BF4 |
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Formula | C32 H34 B F4 Ir N3 P Pd |
Calculated formula | C32 H34 B F4 Ir N3 P Pd |
SMILES | [Ir]1234(n5[n]6[Pd]78([P](Cc6cc5c5[n]1cccc5)(c1ccccc1)c1ccccc1)[CH2]=[CH]7C8)[CH]1=[CH]2CC[CH]3=[CH]4CC1.[B](F)(F)(F)[F-] |
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 | 10.898 ± 0.006 Å |
b | 11.791 ± 0.008 Å |
c | 12.96 ± 0.008 Å |
α | 96.74 ± 0.02° |
β | 111.63 ± 0.02° |
γ | 95.51 ± 0.02° |
Cell volume | 1519.8 ± 1.6 Å3 |
Cell temperature | 213 K |
Ambient diffraction temperature | 213 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0862 |
Residual factor for significantly intense reflections | 0.0732 |
Weighted residual factors for significantly intense reflections | 0.2532 |
Weighted residual factors for all reflections included in the refinement | 0.2569 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.635 |
Diffraction radiation wavelength | 0.71075 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/7113395.html
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