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Information card for entry 7102348
Preview
Coordinates | 7102348.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C74 H116 B2 Ce N8 O4 |
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Calculated formula | C74 H116 B2 Ce N8 O4 |
SMILES | [Ce]12(=C3N(C=CN3C(C)C)CC(C)(C)O1)(=C1N(C=CN1C(C)C)CC(C)(C)O2)(OC(CN1C(N(C(C)C)C=C1)=[B]1C2CCCC1CCC2)(C)C)OC(CN1C(N(C(C)C)C=C1)=[B]1C2CCCC1CCC2)(C)C.c1ccccc1.c1ccccc1.c1ccccc1 |
Title of publication | Tetravalent cerium carbene complexes. |
Authors of publication | Casely, Ian J; Liddle, Stephen T; Blake, Alexander J; Wilson, Claire; Arnold, Polly L |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2007 |
Journal issue | 47 |
Pages of publication | 5037 - 5039 |
a | 13.6344 ± 0.0005 Å |
b | 15.6439 ± 0.0006 Å |
c | 19.9007 ± 0.0007 Å |
α | 78.468 ± 0.002° |
β | 74.11 ± 0.002° |
γ | 66.66 ± 0.002° |
Cell volume | 3728.3 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0349 |
Residual factor for significantly intense reflections | 0.0323 |
Weighted residual factors for significantly intense reflections | 0.0848 |
Weighted residual factors for all reflections included in the refinement | 0.0863 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation wavelength | 0.71073 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/7102348.html
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Users of the data should acknowledge the original authors of the
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