Information card for entry 7700069

Structure parameters

• Formula: C11 H8 Fe0.5 N3 S2 Se
• Calculated formula: C11 H8 Fe0.5 N3 S2 Se
• Title of publication: Spin crossover and photomagnetic behaviors in one-dimensional looped coordination polymers.
• Authors of publication: Sun, Xiao-Peng; Liu, Tao; Yao, Zi-Shuo; Tao, Jun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 25
• Pages of publication: 9243 - 9249
• a: 9.6098 ± 0.0004 Å
• b: 10.6898 ± 0.0004 Å
• c: 11.3119 ± 0.0004 Å
• α: 62.116 ± 0.004°
• β: 65.922 ± 0.004°
• γ: 78.656 ± 0.003°
• Cell volume: 937.73 ± 0.08 ų
• Cell temperature: 240.03 ± 0.1 K
• Ambient diffraction temperature: 240.03 ± 0.1 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: 0.0418
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No