Information card for entry 7027093

Structure parameters

• Chemical name: Bis tetramethyl ammonium hexa-2,6-dimethylphenoxy dichloro dibismuthate
• Formula: C28 H39 Bi Cl N O3
• Calculated formula: C28 H39 Bi Cl N O3
• Title of publication: Neutral and anionic aryloxy halides of bismuth(III)
• Authors of publication: Hodge, Philip; James, Siân C.; Norman, Nicholas C.; Orpen, A. Guy
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 23
• Pages of publication: 4049
• a: 12.418 ± 0.003 Å
• b: 13.841 ± 0.003 Å
• c: 16.892 ± 0.003 Å
• α: 90°
• β: 91.77 ± 0.03°
• γ: 90°
• Cell volume: 2902 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for all reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.0558
• Goodness-of-fit parameter for all reflections: 0.895
• Goodness-of-fit parameter for significantly intense reflections: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No