Information card for entry 7216595

Structure parameters

• Formula: C3 H10 Cu0.5 Mn0.5 O8
• Calculated formula: C3 H10 Cu0.5 Mn0.5 O8
• Title of publication: Alternating cationic?anionic layers in the [Mii(H2O)6][Cuii(mal)2(H2O)] complexes linked through hydrogen bonds (M = Mn, Co, Ni, Cu and Zn; H2mal = malonic acid)
• Authors of publication: Rodr�guez-Mart�n, Yolanda; Sanchiz, Joaqu�n; Ruiz-P�rez, Catalina; Lloret, Francesc; Julve, Miguel
• Journal of publication: CrystEngComm
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 107
• Pages of publication: 631
• a: 5.316 ± 0.001 Å
• b: 7.505 ± 0.002 Å
• c: 10.365 ± 0.002 Å
• α: 107.07 ± 0.02°
• β: 98.9 ± 0.02°
• γ: 95.48 ± 0.02°
• Cell volume: 386.18 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No