Information card for entry 7252093

Structure parameters

• Formula: C9.7 H14.4 N5 O3.3
• Calculated formula: C9.7 H14.4 N5 O3.3
• 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: 11.6218 ± 0.0008 Å
• b: 10.7919 ± 0.0007 Å
• c: 8.7804 ± 0.0006 Å
• α: 90°
• β: 99.008 ± 0.003°
• γ: 90°
• Cell volume: 1087.67 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1021
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.1821
• Weighted residual factors for all reflections included in the refinement: 0.1963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No