Information card for entry 7716476

Structure parameters

• Formula: C96.56 H131.67 N4 Na6 O5.72
• Calculated formula: C96.556 H131.668 N4 Na6 O5.722
• Title of publication: Proton-assisted seven-electron acceptor properties of di-iso-propylphenyl-bis-iminoacenaphthene
• Authors of publication: Khrizanforova, Vera; Fayzullin, Robert R.; Morozov, Vladimir; Budnikova, Yulia H.
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 12.7513 ± 0.0007 Å
• b: 12.7725 ± 0.0007 Å
• c: 15.0009 ± 0.0008 Å
• α: 67.9803 ± 0.0013°
• β: 73.9588 ± 0.0014°
• γ: 80.1701 ± 0.0014°
• Cell volume: 2170.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No