Information card for entry 4337199

Structure parameters

• Common name: [Fe(PS3")(N2H4)][NBu4]
• Formula: C53 H106 Fe N3 O5 P S3 Si3
• Calculated formula: C53 H106 Fe N3 O5 P S3 Si3
• SMILES: [Fe]123(Sc4c([P]3(c3c(S1)c([Si](C)(C)C)ccc3)c1c(S2)c([Si](C)(C)C)ccc1)cccc4[Si](C)(C)C)[NH2]N.[N+](CCCC)(CCCC)(CCCC)CCCC.OCC.OCC.OCC.OCC.OCC
• 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: 14.8275 ± 0.0007 Å
• b: 25.9245 ± 0.0011 Å
• c: 17.1163 ± 0.0007 Å
• α: 90°
• β: 97.986 ± 0.002°
• γ: 90°
• Cell volume: 6515.6 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.1323
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No