Information card for entry 4306735

Structure parameters

• Formula: C49 H40 Cl2 Mn N2 O P2 S4
• Calculated formula: C49 H40 Cl2 Mn N2 O P2 S4
• SMILES: [Mn]12(N=O)(Sc3ccccc3S1)Sc1ccccc1S2.N([P+](c1ccccc1)(c1ccccc1)c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl
• 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: 9.9039 ± 0.0004 Å
• b: 14.4339 ± 0.0006 Å
• c: 17.2874 ± 0.0007 Å
• α: 111.836 ± 0.001°
• β: 93.921 ± 0.001°
• γ: 93.266 ± 0.001°
• Cell volume: 2279.51 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No