Information card for entry 7250315

Structure parameters

• Formula: C36 H27 Cl N10
• Calculated formula: C36 H27 Cl 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: 8.1115 ± 0.0004 Å
• b: 8.9633 ± 0.0006 Å
• c: 11.383 ± 0.0007 Å
• α: 82.417 ± 0.005°
• β: 78.205 ± 0.005°
• γ: 77.833 ± 0.005°
• Cell volume: 788.51 ± 0.08 ų
• Cell temperature: 143.15 K
• Ambient diffraction temperature: 143.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1132
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.2622
• Weighted residual factors for all reflections included in the refinement: 0.2888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No