Information card for entry 4314087

Structure parameters

• Formula: C11 H27 Fe N3 S2 Si
• Calculated formula: C11 H27 Fe N3 S2 Si
• SMILES: [Fe]123(S[Si](S1)(C)C)[N]1(C)CC[N]2(C)CC[N]3(C)CC1
• Title of publication: Coordination Chemistry of Silanedithiolato Ligands Derived from Cyclotrisilathiane: Synthesis and Structures of Complexes of Iron(II), Cobalt(II), Palladium(II), Copper(I), and Silver(I)
• Authors of publication: Takashi Komuro; Tsukasa Matsuo; Hiroyuki Kawaguchi; Kazuyuki Tatsumi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5340 - 5347
• a: 7.325 ± 0.006 Å
• b: 12.84 ± 0.01 Å
• c: 18.42 ± 0.02 Å
• α: 90°
• β: 90.94 ± 0.01°
• γ: 90°
• Cell volume: 1732 ± 3 ų
• Cell temperature: 173.2 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 significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No