Information card for entry 7031954

Structure parameters

• Chemical name: ethane-1,2-diylbis(dicyclohexylphosphonium) tetrachloroaluminate
• Formula: C26 H50 Al2 Cl8 P2
• Calculated formula: C26 H50 Al2 Cl8 P2
• SMILES: C1(CCCCC1)[PH+](C1CCCCC1)CC[PH+](C1CCCCC1)C1CCCCC1.[Al](Cl)(Cl)(Cl)[Cl-].[Al](Cl)(Cl)(Cl)[Cl-]
• 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: 7.073 ± 0.006 Å
• b: 17.551 ± 0.013 Å
• c: 14.924 ± 0.013 Å
• α: 90°
• β: 101.682 ± 0.015°
• γ: 90°
• Cell volume: 1814 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1146
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.1786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No