Information card for entry 2104891

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: 23.0354 ± 0.0003 Å
• b: 23.0354 ± 0.0003 Å
• c: 29.6005 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15706.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for all reflections included in the refinement: 0.0458
• Goodness-of-fit parameter for all reflections: 1.4695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.4695
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No