Information card for entry 7025372

Structure parameters

• Common name: RI2229
• Formula: C84 H98 Mn6 N6 O24 P2
• Calculated formula: C84 H98 Mn6 N6 O24 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: 27.745 ± 0.006 Å
• b: 12.618 ± 0.002 Å
• c: 27.229 ± 0.008 Å
• α: 90°
• β: 116.539 ± 0.008°
• γ: 90°
• Cell volume: 8528 ± 3 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: 0.0598
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No