Information card for entry 1514520

Structure parameters

• Formula: C94 H152 Mn Mo6 N9 O26
• Calculated formula: C92.85 H141.25 Mn Mo6 N9 O26
• 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: 18.0136 ± 0.0006 Å
• b: 26.3164 ± 0.0009 Å
• c: 26.5199 ± 0.0009 Å
• α: 113.089 ± 0.002°
• β: 102.13 ± 0.002°
• γ: 100.729 ± 0.002°
• Cell volume: 10790.7 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0646
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No