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Information card for entry 4086259
Preview
Coordinates | 4086259.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C57 H69 B Cl3 Ir P2 |
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Calculated formula | C57 H69 B Cl3 Ir P2 |
SMILES | [c]12([c]3([c]4([c]5([c]1(C)[Ir]12345(CC(C[P]1(C(C)C)C(C)C)[P+](C)(c1ccccc1)c1ccccc1)Cl)C)C)C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl |
Title of publication | κ3(P,C,C)-Allylphosphane Iridium(III) and Rhodium(III) Complexes: Preparation and Reactivity toward Nucleophilic Reagents |
Authors of publication | Sánchez-Sordo, Irene; Salinas, Sara Mart\?ínez de; D\?íez, Josefina; Lastra, Elena; Gamasa, M. Pilar |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 18 |
Pages of publication | 4581 |
a | 13.7203 ± 0.0017 Å |
b | 14.27 ± 0.0017 Å |
c | 15.711 ± 0.0019 Å |
α | 97.749 ± 0.002° |
β | 99.17 ± 0.002° |
γ | 111.495 ± 0.002° |
Cell volume | 2762.3 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0538 |
Residual factor for significantly intense reflections | 0.0451 |
Weighted residual factors for significantly intense reflections | 0.118 |
Weighted residual factors for all reflections included in the refinement | 0.123 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
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/4086259.html
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Users of the data should acknowledge the original authors of the
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