Information card for entry 4325684

Structure parameters

• Formula: C95 H158 Mn Mo6 N13 O28
• Calculated formula: C95 H158 Mn Mo6 N13 O28
• Title of publication: Discrete Covalent Organic-Inorganic Hybrids: Terpyridine Functionalized Polyoxometalates Obtained by a Modular Strategy and Their Metal Complexation
• Authors of publication: Marie-Pierre Santoni; Amlan K. Pal; Garry S. Hanan; Anna Proust; Bernold Hasenknopf
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6737 - 6745
• a: 17.4447 ± 0.0018 Å
• b: 23.121 ± 0.002 Å
• c: 28.984 ± 0.003 Å
• α: 90°
• β: 106.268 ± 0.002°
• γ: 90°
• Cell volume: 11222.3 ± 1.9 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.104
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1926
• Weighted residual factors for all reflections included in the refinement: 0.2134
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No