Information card for entry 4104096

Structure parameters

• Formula: C176 H532 Ge7 Mn12 N44 O360 W72
• Calculated formula: C193.2 Ge7 Mn12 O286 W72
• Title of publication: Heteroatom-Controlled Kinetics of Switchable Polyoxometalate Frameworks
• Authors of publication: Johannes Thiel; Chris Ritchie; Carsten Streb; De-Liang Long; Leroy Cronin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 4180 - 4181
• a: 38.6584 ± 0.0015 Å
• b: 38.6584 ± 0.0015 Å
• c: 38.6584 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 57774 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No