Information card for entry 4318618

Structure parameters

• Formula: C48 H66 Fe2 N2 S2 Si6
• Calculated formula: C48 H66 Fe2 N2 S2 Si6
• SMILES: C[Si](C)(C)N([Fe]1[S]([Fe](N([Si](C)(C)C)[Si](C)(C)C)[S]1[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C
• Title of publication: Synthesis and Reactions of Triphenylsilanethiolato Complexes of Manganese(II), Iron(II), Cobalt(II), and Nickel(II)
• Authors of publication: Takashi Komuro; Hiroyuki Kawaguchi; Kazuyuki Tatsumi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5083 - 5090
• a: 12.1281 ± 0.0007 Å
• b: 16.2285 ± 0.0003 Å
• c: 15.2438 ± 0.0005 Å
• α: 90°
• β: 114.055 ± 0.002°
• γ: 90°
• Cell volume: 2739.74 ± 0.19 ų
• Cell temperature: 193.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No