Information card for entry 7248107

Structure parameters

• Formula: C12 H6 Br4 N2
• Calculated formula: C12 H6 Br4 N2
• Title of publication: Releasing a bound molecular spring with light: a visible light-triggered photosalient effect tied to polymorphism.
• Authors of publication: McGehee, Keegan; Saito, Koichiro; Kwaria, Dennis; Minamikawa, Hiroyuki; Norikane, Yasuo
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 8
• Pages of publication: 6834 - 6843
• a: 15.64 ± 0.04 Å
• b: 12.14 ± 0.03 Å
• c: 8.31 ± 0.02 Å
• α: 90°
• β: 112.61 ± 0.03°
• γ: 90°
• Cell volume: 1457 ± 6 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1711
• Weighted residual factors for all reflections included in the refinement: 0.1846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No