Information card for entry 7025371

Structure parameters

• Common name: RI2361
• Formula: C81 H98 Mn6 N6 O27 P2
• Calculated formula: C81 H98 Mn6 N6 O27 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: 23.14 ± 0.02 Å
• b: 12.8 ± 0.02 Å
• c: 29.09 ± 0.03 Å
• α: 90°
• β: 98.571 ± 0.019°
• γ: 90°
• Cell volume: 8520 ± 18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0698
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No