Information card for entry 2213480

Structure parameters

• Chemical name: Poly[[diaquahexa-μ-cyanido-dicyanido-di-μ-pyrimidine- dimanganese(II)molybdate(IV)] trihydrate]
• Formula: C16 H18 Mn2 Mo N12 O5
• Calculated formula: C16 H12 Mn2 Mo N12 O5
• Title of publication: Poly[[diaquahexa-μ-cyanido-dicyanido-di-μ-pyrimidine-dimanganese(II)molybdate(IV)] trihydrate]
• Authors of publication: Kosaka, Wataru; Hashimoto, Kazuhito; Ohkoshi, Shin-ichi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1220 - m1222
• a: 13.016 ± 0.0006 Å
• b: 12.8648 ± 0.0004 Å
• c: 15.1056 ± 0.0006 Å
• α: 90°
• β: 96.767 ± 0.0019°
• γ: 90°
• Cell volume: 2511.79 ± 0.17 ų
• Cell temperature: 90 ± 1 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 significantly intense reflections: 0.0323
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes