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Information card for entry 7040644
Preview
Coordinates | 7040644.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H35 B Cl2 Ir N7 O |
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Calculated formula | C32 H35 B Cl2 Ir N7 O |
SMILES | [Ir]1234(OC(C(C(=[N]3c3ccc(Cl)cc3)C)=C)c3c4cc(Cl)cc3)[n]3n(c(cc3C)C)[BH](n3[n]1c(cc3C)C)n1[n]2c(cc1C)C |
Title of publication | Activation of aldehydes by exocyclic iridium(i)-η(4):π(2)-diene complexes derived from 1,3-oxazolidin-2-ones. |
Authors of publication | Padilla, Rosa; Salazar-Pereda, Verónica; Mendoza-Espinosa, Daniel; Vásquez-Pérez, José M; Andrade-López, Noemí; Tamariz, Joaquín; Alvarado-Rodríguez, José G; Cruz-Borbolla, Julián |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 42 |
Pages of publication | 16878 - 16888 |
a | 13.6084 ± 0.0004 Å |
b | 14.787 ± 0.0004 Å |
c | 16.1275 ± 0.0004 Å |
α | 87.012 ± 0.001° |
β | 85.097 ± 0.001° |
γ | 89.136 ± 0.001° |
Cell volume | 3228.84 ± 0.15 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0605 |
Residual factor for significantly intense reflections | 0.0324 |
Weighted residual factors for significantly intense reflections | 0.0644 |
Weighted residual factors for all reflections included in the refinement | 0.0744 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.