Information card for entry 7003315

Structure parameters

• Common name: catena-(Mn4(hmp)6(OOCCH3)2(ClO4)2)H2O
• Formula: C80 H84 Cl4 Mn8 N12 O38
• Calculated formula: C80 H84 Cl4 Mn8 N12 O38
• Title of publication: One-dimensional coordination polymers of antiferromagnetically-coupled [Mn4] single-molecule magnets
• Authors of publication: Lecren, Lollita; Roubeau, Olivier; Li, Yang-Guang; Le Goff, Xavier F.; Miyasaka, Hitoshi; Richard, Florent; Wernsdorfer, Wolfgang; Coulon, Claude; Clérac, Rodolphe
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 6
• Pages of publication: 755 - 766
• a: 9.958 ± 0.002 Å
• b: 12.333 ± 0.003 Å
• c: 19.546 ± 0.004 Å
• α: 90°
• β: 101.3 ± 0.03°
• γ: 90°
• Cell volume: 2353.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No