Information card for entry 4306736

Structure parameters

• Formula: C20 H32 Mn N3 O S4
• Calculated formula: C20 H32 Mn N3 O S4
• Title of publication: Monoanionic {Mn(NO)}5 and Dianionic {Mn(NO)}6 Thiolatonitrosylmanganese Complexes: [(NO)Mn(L)2]- and [(NO)Mn(L)2]2- (LH2= 1,2-Benzenedithiol and Toluene-3,4-dithiol)
• Authors of publication: Chia-Huei Lin; Chien-Ge Chen; Ming-Li Tsai; Gene-Hsiang Lee; Wen-Feng Liaw
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11435 - 11443
• a: 11.7365 ± 0.0003 Å
• b: 9.0875 ± 0.0002 Å
• c: 12.2076 ± 0.0003 Å
• α: 90°
• β: 102.735 ± 0.0012°
• γ: 90°
• Cell volume: 1269.98 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0797
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No