Information card for entry 7250302

Structure parameters

• Formula: C34 H28 N12
• Calculated formula: C34 H28 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: 11.1575 ± 0.0005 Å
• b: 8.9502 ± 0.0004 Å
• c: 16.065 ± 0.0008 Å
• α: 90°
• β: 90.969 ± 0.004°
• γ: 90°
• Cell volume: 1604.05 ± 0.13 ų
• Cell temperature: 143.15 K
• Ambient diffraction temperature: 143.15 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No