Information card for entry 7242995

Structure parameters

• Formula: C11 H9 N3
• Calculated formula: C11 H9 N3
• Title of publication: Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions
• Authors of publication: Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 25
• Pages of publication: 4439 - 4443
• a: 15.6639 ± 0.0012 Å
• b: 7.0936 ± 0.0006 Å
• c: 9.0904 ± 0.0009 Å
• α: 90°
• β: 105.663 ± 0.009°
• γ: 90°
• Cell volume: 972.56 ± 0.15 ų
• Cell temperature: 250.05 ± 0.1 K
• Ambient diffraction temperature: 250.05 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No