Information card for entry 7020996

Structure parameters

• Formula: C42 H40 Mn N6 O6 Ru
• Calculated formula: C42 H40 Mn N6 O6 Ru
• Title of publication: The synthesis, structures and magnetic properties of polynuclear Ru(III)-3d (3d = Mn(II/III), Ni(II), Cu(II)) compounds based on [Ru(III)(Q)(2)(CN)(2)](-).
• Authors of publication: Xiang, Jing; Jia, Li-Hui; Wang, Bing-Wu; Yiu, Shek-Man; Peng, Shie-Ming; Wong, Wai-Yeung; Gao, Song; Lau, Tai-Chu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 11
• Pages of publication: 3876 - 3887
• a: 12.568 ± 0.004 Å
• b: 13.049 ± 0.004 Å
• c: 13.52 ± 0.003 Å
• α: 82.23 ± 0.02°
• β: 74.24 ± 0.02°
• γ: 63.88 ± 0.03°
• Cell volume: 1915.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2324
• Residual factor for significantly intense reflections: 0.0852
• Weighted residual factors for significantly intense reflections: 0.1831
• Weighted residual factors for all reflections included in the refinement: 0.2155
• Goodness-of-fit parameter for all reflections included in the refinement: 0.751
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No