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Information card for entry 7014896
Preview
Coordinates | 7014896.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Tri-tert-butylphosphonium cyclohexylbis(pentafluorophenyl)hydridoborate |
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Chemical name | Tri-tert-butylphosphonium cyclohexylbis(pentafluorophenyl)hydridoborate |
Formula | C30 H40 B F10 P |
Calculated formula | C30 H40 B F10 P |
SMILES | c1(c(c(c(c(c1F)F)F)F)F)[BH](c1c(c(c(c(c1F)F)F)F)F)C1CCCCC1.C(C)(C)(C)[PH+](C(C)(C)C)C(C)(C)C |
Title of publication | Reversible, metal-free hydrogen activation by frustrated Lewis pairs. |
Authors of publication | Jiang, Chunfang; Blacque, Olivier; Fox, Thomas; Berke, Heinz |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 5 |
Pages of publication | 1091 - 1097 |
a | 18.3337 ± 0.0003 Å |
b | 16.1172 ± 0.0003 Å |
c | 20.7593 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6134.12 ± 0.18 Å3 |
Cell temperature | 183 ± 2 K |
Ambient diffraction temperature | 183 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0895 |
Residual factor for significantly intense reflections | 0.0427 |
Weighted residual factors for significantly intense reflections | 0.0918 |
Weighted residual factors for all reflections included in the refinement | 0.0999 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.864 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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