Information card for entry 1574582

Structure parameters

• Formula: C98 H88 Cl3 N8 O3 Re
• Calculated formula: C98 H88 Cl3 N8 O3 Re
• Title of publication: Rhenium coordination-induced conformational modulation in nitrogen-doped nanographene
• Authors of publication: Varghese, Eldhose V.; Liu, Yi-Hung; Chen, Hsing-Yin; Li, Chien-Hung; Chen, Chia-Hsiang
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 22
• Pages of publication: 9966 - 9977
• a: 24.578 ± 0.0007 Å
• b: 35.7337 ± 0.0009 Å
• c: 21.4113 ± 0.0006 Å
• α: 90°
• β: 102.624 ± 0.0014°
• γ: 90°
• Cell volume: 18350.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0967
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1594
• Weighted residual factors for all reflections included in the refinement: 0.1799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No