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Information card for entry 4071889
Preview
Coordinates | 4071889.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H34 B9 N |
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Calculated formula | C17 H34 B9 N |
SMILES | C1(=CCc2c1cccc2)C([C]123[CH]45[BH]678[BH]9%10%11[BH]146[BH]13%11[BH]32[BH2]24[BH]57[BH]892[BH]%10134)(C)C.[NH+](C)(C)C |
Title of publication | Synthesis, Structure, and Reactivity of Group 4 Metallacarboranes Bearing the Ligand [Me2C(C9H6)(C2B9H10)]3− |
Authors of publication | Liu, Dongmei; Wang, Yaorong; Chan, Hoi-Shan; Tang, Yong; Xie, Zuowei |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 20 |
Pages of publication | 5295 |
a | 9.3447 ± 0.0013 Å |
b | 13.4617 ± 0.0018 Å |
c | 34.022 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4279.8 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1931 |
Residual factor for significantly intense reflections | 0.0967 |
Weighted residual factors for significantly intense reflections | 0.2617 |
Weighted residual factors for all reflections included in the refinement | 0.3432 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
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/4071889.html
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