Information card for entry 4106198

Structure parameters

• Common name: [[SiPipr2S]Fe]2
• Formula: C70 H104 Fe2 P4 S2 Si2
• Calculated formula: C70 H52 Fe2 P4 S2 Si2
• Title of publication: Dinitrogen Complexes of Sulfur-Ligated Iron
• Authors of publication: Ayumi Takaoka; Neal P. Mankad; Jonas C. Peters
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 8440 - 8443
• a: 12.2792 ± 0.0014 Å
• b: 18.8853 ± 0.0018 Å
• c: 14.6011 ± 0.0019 Å
• α: 90°
• β: 90.993 ± 0.008°
• γ: 90°
• Cell volume: 3385.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.2502
• Residual factor for significantly intense reflections: 0.1426
• Weighted residual factors for significantly intense reflections: 0.3305
• Weighted residual factors for all reflections included in the refinement: 0.3619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.613
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No