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Information card for entry 7037975
Preview
Coordinates | 7037975.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H26 B10 N2 O2 |
---|---|
Calculated formula | C14 H26 B10 N2 O2 |
SMILES | [BH]1234[BH]567[BH]89%10[C]26(N2[C@H]6CC[C@H](C=C6)O2)[BH]263[BH]3%11%12[BH]%139([BH]978[BH]715[BH]3%139[BH]46%127)[C]%102%11N1[C@H]2CC[C@H](C=C2)O1.[BH]1234[BH]567[BH]89%10[C]26(N2[C@@H]6CC[C@@H](C=C6)O2)[BH]263[BH]3%11%12[BH]%139([BH]978[BH]715[BH]3%139[BH]46%127)[C]%102%11N1[C@@H]2CC[C@@H](C=C2)O1 |
Title of publication | Developing nitrosocarborane chemistry. |
Authors of publication | Powley, Samuel L.; Schaefer, Louise; Man, Wing Y.; Ellis, David; Rosair, Georgina M.; Welch, Alan J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 8 |
Pages of publication | 3635 - 3647 |
a | 17.316 ± 0.005 Å |
b | 10.39 ± 0.003 Å |
c | 11.385 ± 0.004 Å |
α | 90° |
β | 110.266 ± 0.019° |
γ | 90° |
Cell volume | 1921.5 ± 1.1 Å3 |
Cell temperature | 100 ± 0.2 K |
Ambient diffraction temperature | 100 ± 0.2 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 | 0.0619 |
Residual factor for significantly intense reflections | 0.0426 |
Weighted residual factors for significantly intense reflections | 0.1171 |
Weighted residual factors for all reflections included in the refinement | 0.129 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
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/7037975.html
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Users of the data should acknowledge the original authors of the
structural data.