Information card for entry 4337198

Structure parameters

• Common name: [PPh4][Fe(PS3")(CH3CN)]
• Formula: C65 H56 Fe N5 O P2 S3 Si3
• Calculated formula: C65 H56 Fe N5 O P2 S3 Si3
• SMILES: [Fe]123([P](c4cccc([Si](C)(C)C)c4S1)(c1cccc([Si](C)(C)C)c1S2)c1cccc([Si](C)(C)C)c1S3)[N]#CC.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O(CC)CCCC#N.CC#N.N#CC.N#CC
• Title of publication: Catalytic Reduction of Hydrazine to Ammonia by a Mononuclear Iron(II) Complex on a Tris(thiolato)phosphine Platform.
• Authors of publication: Chang, Ya-Ho; Chan, Pooi-Mun; Tsai, Yi-Fang; Lee, Gene-Hsiang; Hsu, Hua-Fen
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 664 - 666
• a: 14.51 ± 0.002 Å
• b: 14.941 ± 0.002 Å
• c: 17.181 ± 0.004 Å
• α: 101.266 ± 0.003°
• β: 99.829 ± 0.003°
• γ: 112.01 ± 0.002°
• Cell volume: 3262.6 ± 1 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: 0.1384
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.203
• Weighted residual factors for all reflections included in the refinement: 0.2352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No