Information card for entry 1575190

Structure parameters

• Common name: Ca-NDI@An
• Formula: C89 H71.67 Ca4 N9 O29.48
• Calculated formula: C89 H71.676 Ca4 N9 O29.48
• Title of publication: Wavelength-dependent tri-state photoswitching in crystals <i>via</i> synergistic dimer confinement and charge-transfer stacking.
• Authors of publication: Huang, Zhi; Wei, Jianwei; Wang, Xiang-Yu; Xu, Shaojie; Huang, Ling; Zeng, Le
• Journal of publication: Materials horizons
• Year of publication: 2025
• Journal volume: 12
• Journal issue: 21
• Pages of publication: 9079 - 9086
• a: 41.8161 ± 0.0005 Å
• b: 10.3669 ± 0.0001 Å
• c: 24.5777 ± 0.0003 Å
• α: 90°
• β: 125.549 ± 0.001°
• γ: 90°
• Cell volume: 8668.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0844
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.2293
• Weighted residual factors for all reflections included in the refinement: 0.2374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No