Information card for entry 7252098

Structure parameters

• Formula: C9.95 H14.9 N5 O3.05
• Calculated formula: C9.95 H14.9 N5 O3.05
• Title of publication: Continuous Control of Thermal Responses in Dynamic Crystals via Solid Solution Engineering
• Authors of publication: Meng, Jiantao; Su, Yahui; Zhu, Hang; Chen, Wenrui; Chen, An; Su, Yuan; Cai, Ting
• Journal of publication: CrystEngComm
• Year of publication: 2026
• a: 9.117 ± 0.004 Å
• b: 10.951 ± 0.005 Å
• c: 11.8 ± 0.004 Å
• α: 87.02 ± 0.03°
• β: 80.55 ± 0.02°
• γ: 86.23 ± 0.04°
• Cell volume: 1158.6 ± 0.8 ų
• Cell temperature: 420 ± 2 K
• Ambient diffraction temperature: 420 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1248
• Residual factor for significantly intense reflections: 0.1032
• Weighted residual factors for significantly intense reflections: 0.2742
• Weighted residual factors for all reflections included in the refinement: 0.2863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No