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Information card for entry 7054864
Preview
Coordinates | 7054864.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C76 H142 Al2 N2 Y2 |
---|---|
Calculated formula | C76 H142 Al2 N2 Y2 |
SMILES | [Y]12345(Nc6c(cc(cc6C(C)(C)C)C(C)(C)C)C(C)(C)C)([c]6([c]1([c]2([c]3([c]46C)C)C)C)C)([CH3])[Al](C)(C)([CH3])[Y]1234(Nc6c(cc(cc6C(C)(C)C)C(C)(C)C)C(C)(C)C)([c]6([c]1([c]2([c]4([c]36C)C)C)C)C)([CH3])[Al](C)(C)[CH3]5.CCCCCC.CCCCCC |
Title of publication | Reactivity of halfsandwich rare-earth metal methylaluminates toward potassium (2,4,6-tri-tert-butylphenyl)amide and 1-adamantylamine |
Authors of publication | Schädle, Dorothea; Enders, Markus; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Anwander, Reiner |
Journal of publication | New J. Chem. |
Year of publication | 2015 |
Journal volume | 39 |
Journal issue | 10 |
Pages of publication | 7640 |
a | 49.6386 ± 0.0013 Å |
b | 12.3116 ± 0.0003 Å |
c | 35.9711 ± 0.0016 Å |
α | 90° |
β | 131.598 ± 0.001° |
γ | 90° |
Cell volume | 16439.4 ± 1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0819 |
Residual factor for significantly intense reflections | 0.0687 |
Weighted residual factors for significantly intense reflections | 0.1523 |
Weighted residual factors for all reflections included in the refinement | 0.1579 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.165 |
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/7054864.html
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Users of the data should acknowledge the original authors of the
structural data.