Information card for entry 7133172

Structure parameters

• Formula: C116.94 H127.44 Cl8.84 N12
• Calculated formula: C117.979 H126.689 Cl8.844 N12
• Title of publication: Synthesis and electronic properties of nitrogen-rich nanographene.
• Authors of publication: Heim, Gavin P.; Hirahara, Masanari; Dev, Vidhya M.; Agapie, Theodor
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 57
• Pages of publication: 7343 - 7346
• a: 14.354 ± 0.0006 Å
• b: 18.2341 ± 0.0006 Å
• c: 23.2636 ± 0.001 Å
• α: 110.586 ± 0.003°
• β: 101.322 ± 0.003°
• γ: 93.081 ± 0.003°
• Cell volume: 5538.9 ± 0.4 ų
• Cell temperature: 175 ± 2 K
• Ambient diffraction temperature: 175 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: 0.0992
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.192
• Weighted residual factors for all reflections included in the refinement: 0.2197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No