Information card for entry 7207278

Structure parameters

• Formula: C83.7 H100.8 Mn9 N9 O42.2
• Calculated formula: C79.7 H83.8 Mn9 N9 O37.2
• Title of publication: Two-dimensional frameworks built from Single-Molecule Magnets
• Authors of publication: Katsenis, Athanassios D.; Inglis, Ross; Prescimone, Alessandro; Brechin, Euan K.; Papaefstathiou, Giannis S.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 1216
• a: 14.7534 ± 0.0004 Å
• b: 16.3686 ± 0.0004 Å
• c: 22.2983 ± 0.0006 Å
• α: 101.659 ± 0.002°
• β: 101.396 ± 0.002°
• γ: 96.649 ± 0.002°
• Cell volume: 5101.3 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.116
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections: 0.016
• Weighted residual factors for significantly intense reflections: 0.0128
• Weighted residual factors for all reflections included in the refinement: 0.0128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8617
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No