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Information card for entry 7108847
Preview
Coordinates | 7108847.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H44 B Cl Fe N2 O2 |
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Calculated formula | C35 H44 B Cl Fe N2 O2 |
SMILES | [Fe]1234(C#[O])(C#[O])([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)B(Cl)N(C(=C\C(=N/c1c(C)cc(C)cc1C)C)\C)c1c(C)cc(C)cc1C |
Title of publication | Coordinative trapping of the boron β-diketiminato system [B(NMesCMe)2CH] via metal-templated synthesis |
Authors of publication | Firinci, Erkan; Bates, Joshua I.; Riddlestone, Ian M.; Phillips, Nicholas; Aldridge, Simon |
Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
Year of publication | 2013 |
Journal volume | 49 |
Journal issue | 15 |
Pages of publication | 1509 - 1511 |
a | 13.9947 ± 0.0002 Å |
b | 16.4994 ± 0.0002 Å |
c | 14.7643 ± 0.0002 Å |
α | 90° |
β | 95.8847 ± 0.0006° |
γ | 90° |
Cell volume | 3391.17 ± 0.08 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 7 |
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 | 0.086 |
Residual factor for significantly intense reflections | 0.047 |
Weighted residual factors for all reflections | 0.1316 |
Weighted residual factors for significantly intense reflections | 0.0955 |
Weighted residual factors for all reflections included in the refinement | 0.1314 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9605 |
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/7108847.html
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Users of the data should acknowledge the original authors of the
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