Information card for entry 7210062

Structure parameters

• Formula: C76 H151 Mn Mo6 N10 O30
• Calculated formula: C76 H133 Mn Mo6 N10 O30
• 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: 14.9246 ± 0.0008 Å
• b: 17.3492 ± 0.001 Å
• c: 20.5931 ± 0.0011 Å
• α: 77.925 ± 0.004°
• β: 78.223 ± 0.003°
• γ: 74.076 ± 0.003°
• Cell volume: 4952.7 ± 0.5 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: 0.1347
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.1891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No