Information card for entry 7031953

Structure parameters

• Chemical name: bis[(2-dimethylphosphanylphenyl)-dimethylphosphonium] tetrachloroaluminium(III) chloride
• Formula: C20 H34 Al Cl5 P4
• Calculated formula: C20 H34 Al Cl5 P4
• SMILES: c1(c(cccc1)P(C)C)[PH+](C)C.[Al](Cl)(Cl)(Cl)[Cl-].[Cl-].c1(c(cccc1)P(C)C)[PH+](C)C
• Title of publication: Phosphine complexes of aluminium(iii) halides - preparation and structural and spectroscopic systematics.
• Authors of publication: Burt, Jennifer; Levason, William; Light, Mark E.; Reid, Gillian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 39
• Pages of publication: 14600 - 14611
• a: 14.599 ± 0.005 Å
• b: 20.672 ± 0.007 Å
• c: 11.006 ± 0.005 Å
• α: 90°
• β: 115.061 ± 0.005°
• γ: 90°
• Cell volume: 3009 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0859
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No