Information card for entry 4106199

Structure parameters

• Common name: [SiPiprSAd2]Fe(H)(N2)
• Formula: C58 H80 Fe N2 P S2 Si
• Calculated formula: C58 H79.144 Fe N2 P S2 Si
• 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: 11.0806 ± 0.0005 Å
• b: 13.0186 ± 0.0006 Å
• c: 19.1039 ± 0.0008 Å
• α: 93.752 ± 0.001°
• β: 105.59 ± 0.001°
• γ: 91.585 ± 0.001°
• Cell volume: 2645.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No