Information card for entry 1574581

Structure parameters

• Formula: C91 H72 Cl N8 O3 Re
• Calculated formula: C91 H72 Cl 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: 20.0184 ± 0.0006 Å
• b: 21.3728 ± 0.0007 Å
• c: 22.6375 ± 0.0008 Å
• α: 83.5455 ± 0.0017°
• β: 74.0558 ± 0.0017°
• γ: 79.746 ± 0.0017°
• Cell volume: 9143.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1458
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.2091
• Weighted residual factors for all reflections included in the refinement: 0.2756
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No