Information card for entry 4513305

Structure parameters

• Formula: C12.65 H8.65 N1.36
• Calculated formula: C12.644 H8.644 N1.356
• Title of publication: Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions
• Authors of publication: Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 4098
• a: 6.7268 ± 0.0006 Å
• b: 11.677 ± 0.001 Å
• c: 11.489 ± 0.001 Å
• α: 90°
• β: 95.374 ± 0.002°
• γ: 90°
• Cell volume: 898.48 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0915
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No