Information card for entry 7700068

Structure parameters

• Formula: C11 H11 B Fe0.5 N3 S2
• Calculated formula: C11 H11 B Fe0.5 N3 S2
• 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: 14.419 ± 0.003 Å
• b: 20.404 ± 0.005 Å
• c: 10.936 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3217.4 ± 1.4 ų
• Cell temperature: 293 ± 0.1 K
• Ambient diffraction temperature: 293 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 37
• Hermann-Mauguin space group symbol: C c c 2
• Hall space group symbol: C 2 -2c
• Residual factor for all reflections: 0.0988
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1877
• Weighted residual factors for all reflections included in the refinement: 0.2113
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No