Information card for entry 7035516

Structure parameters

• Formula: C51 H47 B12 Cl11 O P2
• Calculated formula: C51 H47 B12 Cl11 O P2
• SMILES: [B]1234([B]567([B]891([B]1%102([B]2%113([B]345([B]456([B]678([B]791([B]1%102([B]%1134([B]5671Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)OCCC.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Alkoxy substituted halogenated closo-dodecaborates as anions for ionic liquids.
• Authors of publication: Jenne, Carsten; Kirsch, Christoph
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 29
• Pages of publication: 13119 - 13124
• a: 11.27145 ± 0.00018 Å
• b: 28.4714 ± 0.0005 Å
• c: 30.0522 ± 0.0005 Å
• α: 113.966 ± 0.0017°
• β: 90.7492 ± 0.0014°
• γ: 94.0845 ± 0.0013°
• Cell volume: 8781 ± 0.3 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0927
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No