Information card for entry 7210065

Structure parameters

• Formula: C78 H146 Mn Mo6 N7 O32
• Calculated formula: C57 H14 Mn Mo6 N6.6 O32
• Title of publication: Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates
• Authors of publication: Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 22
• Pages of publication: 4422
• a: 23.8498 ± 0.0006 Å
• b: 14.573 ± 0.0003 Å
• c: 15.4775 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5379.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 53
• Hermann-Mauguin space group symbol: P m n a
• Hall space group symbol: -P 2ac 2
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.2065
• Weighted residual factors for all reflections included in the refinement: 0.2248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No