Information card for entry 1514519

Structure parameters

• Formula: C62 H135 Mn Mo6 N6 O26
• Calculated formula: C53.8 H111.4 Mn Mo6 N5.5 O25.3
• Title of publication: A collection of robust methodologies for the preparation of asymmetric hybrid Mn‒Anderson polyoxometalates for multifunctional materials
• Authors of publication: Yvon, Carine; Macdonell, Andrew; Buchwald, Saskia; Surman, Andrew J.; Follet, Noémie; Alex, Jennifer; Long, De-Liang; Cronin, Leroy
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 10
• Pages of publication: 3810
• a: 23.3192 ± 0.0017 Å
• b: 28.2 ± 0.002 Å
• c: 30.215 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19869 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.1506
• Residual factor for significantly intense reflections: 0.0913
• Weighted residual factors for significantly intense reflections: 0.2965
• Weighted residual factors for all reflections included in the refinement: 0.3334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No