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Information card for entry 1565070
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1565070.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C74 H90 Al2 Mo N4 O9 |
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Calculated formula | C74 H90 Al2 Mo N4 O9 |
SMILES | [Al]12(OC3C(=[O][Al]4(OC=3C2=O)N(c2c(C(C)C)cccc2C(C)C)C(=CC(=[N]4c2c(cccc2C(C)C)C(C)C)C)C)[Mo](C#[O])(C#[O])(C#[O])(C#[O])C#[O])N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(C(C)C)cccc1C(C)C.c1(ccccc1)C |
Title of publication | Reactions of Aluminium(I) with Transition Metal Carbonyls: Scope, Mechanism and Selectivity of CO Homologation |
Authors of publication | Crimmin, Mark Richard; Kong, Richard Y.; Batuecas, Maria |
Journal of publication | Chemical Science |
Year of publication | 2021 |
a | 15.5122 ± 0.0005 Å |
b | 12.6927 ± 0.0003 Å |
c | 36.0314 ± 0.0009 Å |
α | 90° |
β | 96.194 ± 0.003° |
γ | 90° |
Cell volume | 7052.9 ± 0.3 Å3 |
Cell temperature | 173.05 ± 0.1 K |
Ambient diffraction temperature | 173.05 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0578 |
Residual factor for significantly intense reflections | 0.044 |
Weighted residual factors for significantly intense reflections | 0.1143 |
Weighted residual factors for all reflections included in the refinement | 0.1248 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/1565070.html
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Users of the data should acknowledge the original authors of the
structural data.