Information card for entry 7210066

Structure parameters

• Formula: C143 H219 Mn Mo6 N10 O37
• Calculated formula: C138.5 H201.1 Mn Mo6 N8.6 O36.65
• 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: 23.5808 ± 0.0003 Å
• b: 24.7645 ± 0.0003 Å
• c: 29.9716 ± 0.0004 Å
• α: 100.967 ± 0.002°
• β: 103.918 ± 0.002°
• γ: 93.897 ± 0.002°
• Cell volume: 16559.1 ± 0.4 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: 0.1114
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1622
• Weighted residual factors for all reflections included in the refinement: 0.1866
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No