Information card for entry 4306737

Structure parameters

• Formula: C98 H86 Mn N5 O0.5 P4 S6
• Calculated formula: C98 H86 Mn N5 O0.5 P4 S6
• 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: 13.964 ± 0.0002 Å
• b: 14.4032 ± 0.0002 Å
• c: 24.4223 ± 0.0003 Å
• α: 103.703 ± 0.0007°
• β: 96.1124 ± 0.0007°
• γ: 110.006 ± 0.0007°
• Cell volume: 4388.57 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1154
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.2503
• Weighted residual factors for all reflections included in the refinement: 0.2739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No