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Information card for entry 7113398
Preview
Coordinates | 7113398.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | compound 8 |
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Formula | C60 H62 Cl4 Ir2 N6 P2 |
Calculated formula | C60 H62 Cl4 Ir2 N6 P2 |
SMILES | [Ir]1234(n5nc(cc5c5[n]1cccc5)C[P]([Ir]1567([P](Cc8n1nc(c8)c1ncccc1)(c1ccccc1)c1ccccc1)[CH]1=[CH]5CC[CH]6=[CH]7CC1)(c1ccccc1)c1ccccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1.ClCCl.ClCCl |
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 | 11.13 ± 0.018 Å |
b | 14.56 ± 0.02 Å |
c | 18.75 ± 0.02 Å |
α | 78.51 ± 0.06° |
β | 85.37 ± 0.06° |
γ | 71.38 ± 0.06° |
Cell volume | 2821 ± 7 Å3 |
Cell temperature | 213 K |
Ambient diffraction temperature | 213 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2282 |
Residual factor for significantly intense reflections | 0.0727 |
Weighted residual factors for significantly intense reflections | 0.1586 |
Weighted residual factors for all reflections included in the refinement | 0.2076 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.694 |
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/7113398.html
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