Information card for entry 7210063

Structure parameters

• Formula: C77 H161 Mn Mo6 N8 O33
• Calculated formula: C75.2 H156.6 Mn Mo6 N7.5 O32.5
• 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: 17.8569 ± 0.0002 Å
• b: 27.1013 ± 0.0003 Å
• c: 21.2905 ± 0.0002 Å
• α: 90°
• β: 90.111 ± 0.001°
• γ: 90°
• Cell volume: 10303.4 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No