Information card for entry 4310085

Structure parameters

• Formula: C9 H18 Fe N3 O S2
• Calculated formula: C9 H18 Fe N3 O S2
• Title of publication: Synthesis and Molecular Structures of Mononitrosyl (N2S2)M(NO) Complexes (M = Fe, Co)
• Authors of publication: Chao-Yi Chiang; Jonghyuk Lee; Christopher Dalrymple; Michael C. Sarahan; Joseph H. Reibenspies; Marcetta Y. Darensbourg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 9007 - 9016
• a: 7.3544 ± 0.0009 Å
• b: 8.0686 ± 0.001 Å
• c: 11.6108 ± 0.0014 Å
• α: 95.523 ± 0.002°
• β: 97.57 ± 0.002°
• γ: 114.273 ± 0.002°
• Cell volume: 613.92 ± 0.13 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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 all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No