Information card for entry 7238732

Structure parameters

• Formula: C14 H10 Br2 N2 O2
• Calculated formula: C14 H10 Br2 N2 O2
• Title of publication: Solid-state thermo- and photochromism in N,N′-bis(5-X-salicylidene)diamines (X = H, Br)
• Authors of publication: Safin, Damir A.; Robeyns, Koen; Garcia, Yann
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 30
• Pages of publication: 11379
• a: 6.4795 ± 0.0016 Å
• b: 7.343 ± 0.002 Å
• c: 7.8656 ± 0.0012 Å
• α: 78.621 ± 0.017°
• β: 79.482 ± 0.016°
• γ: 73.05 ± 0.02°
• Cell volume: 347.81 ± 0.14 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.1714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No