Information card for entry 7025374

Structure parameters

• Common name: RI2316
• Formula: C67 H82 Mn6 N6 O25 P2
• Calculated formula: C67 H82 Mn6 N6 O25 P2
• Title of publication: A new family of Mn6 SMMs using phosphinate ligands
• Authors of publication: Inglis, Ross; Dalgarno, Scott J.; Brechin, Euan K.
• Journal of publication: Dalton Transactions
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 20
• Pages of publication: 4826
• a: 12.954 ± 0.003 Å
• b: 12.962 ± 0.003 Å
• c: 14.264 ± 0.003 Å
• α: 65.467 ± 0.013°
• β: 80.272 ± 0.014°
• γ: 60.186 ± 0.013°
• Cell volume: 1888.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0641
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No