Information card for entry 7250304

Structure parameters

• Formula: C31 H24 Cl2 N10
• Calculated formula: C31 H24 Cl2 N10
• 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: 14.1431 ± 0.0005 Å
• b: 9.8855 ± 0.0003 Å
• c: 22.1824 ± 0.0012 Å
• α: 90°
• β: 106.036 ± 0.004°
• γ: 90°
• Cell volume: 2980.7 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No