Information card for entry 4306733

Structure parameters

• Formula: C100 H84 Mn2 N2 P4 S8
• Calculated formula: C100 H84 Mn2 N2 P4 S8
• SMILES: c1(ccccc1)P(c1ccccc1)(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.S1c2ccc(cc2S[Mn]231Sc1c([S]3[Mn]34([S]2c2ccc(cc2S4)C)Sc2ccc(cc2S3)C)ccc(c1)C)C.c1(ccccc1)[P+](c1ccccc1)(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
• 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: 12.7382 ± 0.0015 Å
• b: 12.0196 ± 0.0013 Å
• c: 28.296 ± 0.003 Å
• α: 90°
• β: 100.755 ± 0.002°
• γ: 90°
• Cell volume: 4256.2 ± 0.8 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0959
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 0.829
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No