Information card for entry 4318620

Structure parameters

• Formula: C54 H56 Fe N2 S2 Si2
• Calculated formula: C54 H56 Fe N2 S2 Si2
• SMILES: [Fe](S[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(S[Si](c1ccccc1)(c1ccccc1)c1ccccc1)([n]1ccc(cc1)C(C)(C)C)[n]1ccc(cc1)C(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: 12.713 ± 0.001 Å
• b: 18.553 ± 0.004 Å
• c: 10.814 ± 0.002 Å
• α: 92.85 ± 0.02°
• β: 98.68 ± 0.01°
• γ: 103.67 ± 0.01°
• Cell volume: 2440.3 ± 0.7 ų
• Cell temperature: 173.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No