Information card for entry 7027521

Structure parameters

• Formula: C45 H34 Mn N O3 P2 S2
• Calculated formula: C45 H34 Mn N O3 P2 S2
• Title of publication: A five-coordinate, sixteen-electron manganese(I) complex [Mn(CO)3(S,S‒C6H4)]− stabilized by S,S π-donation from chelating [S,S‒C6H4]2−
• Authors of publication: Lee, Chien-Ming; Lin, Ging-Yi; Hsieh, Chung-Hung; Hu, Ching-Han; Lee, Gene-Hsiang; Peng, Shie-Ming; Liaw, Wen-Feng
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 14
• Pages of publication: 2393
• a: 10.03 ± 0.003 Å
• b: 14.2591 ± 0.002 Å
• c: 14.396 ± 0.003 Å
• α: 88.618 ± 0.015°
• β: 80.504 ± 0.023°
• γ: 89.759 ± 0.02°
• Cell volume: 2030.1 ± 0.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 295 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: 0.076
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.034
• Goodness-of-fit parameter for significantly intense reflections: 1.56
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No