Information card for entry 4511053

Structure parameters

• Formula: C74.67 H90.67 N2.67 O8
• Calculated formula: C74 H88 N2 O8
• Title of publication: Co-crystallization of Ionic and Neutral Supramolecular Motifs Derived from Identical Components
• Authors of publication: Jacobs, Tia; Lloyd, Gareth O.; Bredenkamp, Martin W.; Barbour, Leonard J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 1284
• a: 53.599 ± 0.002 Å
• b: 53.599 ± 0.002 Å
• c: 11.0015 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 27371 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.171
• 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: No
• Has Fobs: No