Information card for entry 7250310

Structure parameters

• Formula: C38 H38 N10 O2
• Calculated formula: C38 H38 N10 O2
• 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: 9.0161 ± 0.0004 Å
• b: 12.198 ± 0.0006 Å
• c: 16.1054 ± 0.0007 Å
• α: 90°
• β: 99.256 ± 0.004°
• γ: 90°
• Cell volume: 1748.18 ± 0.14 ų
• Cell temperature: 143.15 K
• Ambient diffraction temperature: 143.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No