Information card for entry 7700070

Structure parameters

• Formula: C11 H0.5 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: 9.5289 ± 0.0003 Å
• b: 10.6431 ± 0.0004 Å
• c: 11.2246 ± 0.0004 Å
• α: 61.959 ± 0.004°
• β: 65.962 ± 0.003°
• γ: 78.807 ± 0.003°
• Cell volume: 917.59 ± 0.07 ų
• Cell temperature: 99.96 ± 0.1 K
• Ambient diffraction temperature: 99.96 ± 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: 0.0447
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No