Information card for entry 7027513

Structure parameters

• Chemical name: manganese bis(dicyanamide) diethanolate acetone solvate
• Formula: C11 H18 Mn N6 O3
• Calculated formula: C11 H17 Mn N6 O3
• Title of publication: Syntheses, structures and magnetism of α-Mn(dca)2, [Mn(dca)2(H2O)2]·H2O, [Mn(dca)2(C2H5OH)2]·(CH3)2CO, [Fe(dca)2(CH3OH)2] and [Mn(dca)2(L)2], where L = pyridine, CH3OH or DMF and dca− = dicyanamide, N(CN)2− †
• Authors of publication: Batten, Stuart R.; Jensen, Paul; Kepert, Cameron J.; Kurmoo, Mohamedally; Moubaraki, Boujemaa; Murray, Keith S.; Price, David J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 17
• Pages of publication: 2987
• a: 11.316 ± 0.001 Å
• b: 11.358 ± 0.001 Å
• c: 12.488 ± 0.001 Å
• α: 90°
• β: 96.918 ± 0.003°
• γ: 90°
• Cell volume: 1593.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections: 0.0855
• Weighted residual factors for significantly intense reflections: 0.0854
• Goodness-of-fit parameter for all reflections: 1.445
• Goodness-of-fit parameter for significantly intense reflections: 1.446
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No