Information card for entry 7047736

Structure parameters

• Formula: C8 H16 Cl2 Fe N2 O2 S2
• Calculated formula: C8 H16 Cl2 Fe N2 O2 S2
• Title of publication: Photoinduced electron transfer and remarkable enhancement of magnetic susceptibility in bridging pyrazine complexes.
• Authors of publication: Xia, Bin; Zhou, Yu; Wang, Qing-Lun; Xu, Xiu-Fang; Tong, Yu-Zhang; Bu, Xian-He; Li, Jian-Rong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 44
• Pages of publication: 15888 - 15896
• a: 6.7931 ± 0.0002 Å
• b: 6.8204 ± 0.0002 Å
• c: 8.7665 ± 0.0003 Å
• α: 87.754 ± 0.003°
• β: 85.399 ± 0.003°
• γ: 63.63 ± 0.003°
• Cell volume: 362.73 ± 0.02 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0262
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No