Information card for entry 7250309

Structure parameters

• Formula: C40 H32 N12
• Calculated formula: C40 H32 N12
• Title of publication: Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions
• Authors of publication: Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 21
• Pages of publication: 3552 - 3559
• a: 9.3409 ± 0.0008 Å
• b: 12.7905 ± 0.0011 Å
• c: 16.1963 ± 0.0014 Å
• α: 70.868 ± 0.008°
• β: 83.072 ± 0.007°
• γ: 82.513 ± 0.007°
• Cell volume: 1806.3 ± 0.3 ų
• Cell temperature: 143.19 ± 0.13 K
• Ambient diffraction temperature: 143.15 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1146
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.2206
• Weighted residual factors for all reflections included in the refinement: 0.2491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No