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Information card for entry 7037067
Preview
Coordinates | 7037067.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H42 B F10 N P2 |
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Calculated formula | C60 H42 B F10 N P2 |
SMILES | B(=C1C=C(c2c1cccc2)C(C)C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Stabilized borata-alkene formation: structural features, reactions and the role of the counter cation. |
Authors of publication | Kohrt, Sonja; Dachwitz, Steffen; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 48 |
Pages of publication | 21032 - 21040 |
a | 9.8291 ± 0.0003 Å |
b | 27.4015 ± 0.0007 Å |
c | 18.7176 ± 0.0006 Å |
α | 90° |
β | 100.517 ± 0.001° |
γ | 90° |
Cell volume | 4956.6 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0563 |
Residual factor for significantly intense reflections | 0.041 |
Weighted residual factors for significantly intense reflections | 0.0842 |
Weighted residual factors for all reflections included in the refinement | 0.0901 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
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/7037067.html
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