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Information card for entry 4325130
Preview
Coordinates | 4325130.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H38 B Cl4 Mn N2 O3 |
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Calculated formula | C45 H38 B Cl4 Mn N2 O3 |
SMILES | [Mn]1234(C#[O])(C#[O])(C#[O])[c]5([cH]4[cH]3[cH]2[cH]15)[B]1(C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)[n]1ccc(N(C)C)cc1.C(Cl)Cl.C(Cl)Cl |
Title of publication | Synthesis and Coordination Chemistry of 1-Cymantrenyl-2,3,4,5-tetraphenylborole |
Authors of publication | Holger Braunschweig; Alexander Damme; Daniela Gamon; Thomas Kupfer; Krzysztof Radacki |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 4250 - 4252 |
a | 12.8066 ± 0.0008 Å |
b | 16.5528 ± 0.0011 Å |
c | 19.1934 ± 0.0013 Å |
α | 90° |
β | 95.341 ± 0.003° |
γ | 90° |
Cell volume | 4051 ± 0.5 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 | 0.0611 |
Residual factor for significantly intense reflections | 0.0416 |
Weighted residual factors for significantly intense reflections | 0.1364 |
Weighted residual factors for all reflections included in the refinement | 0.173 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.315 |
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/4325130.html
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