Information card for entry 7216597

Structure parameters

• Formula: C3 H10 Cu0.5 Ni0.5 O8
• Calculated formula: C3 H10 Cu0.5 Ni0.5 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: 5.242 ± 0.001 Å
• b: 7.48 ± 0.003 Å
• c: 10.278 ± 0.004 Å
• α: 107.15 ± 0.03°
• β: 98.77 ± 0.03°
• γ: 96.34 ± 0.03°
• Cell volume: 375.4 ± 0.2 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: 0.0476
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.705
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No