Information card for entry 4513317

Structure parameters

• Formula: C12.1 H8.1 N1.9
• Calculated formula: C12.096 H8.096 N1.904
• 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: 7.0768 ± 0.0005 Å
• b: 4.9901 ± 0.0004 Å
• c: 12.6004 ± 0.001 Å
• α: 90°
• β: 103.047 ± 0.002°
• γ: 90°
• Cell volume: 433.48 ± 0.06 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: 0.0928
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No