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Information card for entry 7118167
Preview
Coordinates | 7118167.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H57 B Fe N4 O2 Si2 |
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Calculated formula | C34 H57 B Fe N4 O2 Si2 |
SMILES | [Fe]1234([c]5([c]4([c]3([c]2([c]15C)C)C)C)C)(C#[O])C#[O].[Si](C1[B](C=1[Si](C)(C)C)(=C1N(C(=C(N1C)C)C)C)=C1N(C(=C(N1C)C)C)C)(C)(C)C |
Title of publication | Carbene-induced synthesis of the first borironium cations using the [(eta^5^-C5Me5)Fe(CO)2]^-^ anion as an unlikely leaving group |
Authors of publication | Holger Braunschweig; Rian D. Dewhurst; Katharina Ferkinghoff |
Journal of publication | Chem.Commun. |
Year of publication | 2016 |
Journal volume | 52 |
Pages of publication | 183 |
a | 10.5605 ± 0.0006 Å |
b | 17.2867 ± 0.001 Å |
c | 20.8645 ± 0.0012 Å |
α | 90° |
β | 99.455 ± 0.002° |
γ | 90° |
Cell volume | 3757.2 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0322 |
Residual factor for significantly intense reflections | 0.0282 |
Weighted residual factors for significantly intense reflections | 0.0747 |
Weighted residual factors for all reflections included in the refinement | 0.0774 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
171605 (current) | 2015-12-18 | cif/ Adding structures of 7118166, 7118167 via cif-deposit CGI script. |
7118167.cif |
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