Information card for entry 2104895

Structure parameters

• Chemical name: catena-tetrakis(imidazole)-tetrakis(μ~2~-oxo)-dioxo-manganese(ii)-di-vanadium
• Formula: C12 H16 Mn N8 O6 V2
• Calculated formula: C12 H16 Mn N8 O6 V2
• Title of publication: Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole
• Authors of publication: Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: 41 - 52
• a: 16.3615 ± 0.0002 Å
• b: 16.3615 ± 0.0002 Å
• c: 14.803 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3962.74 ± 0.09 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections: 2.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 2.0553
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes