Information card for entry 4500976

Structure parameters

• Chemical name: phenanthridine fumaric acid 4:1.5
• Formula: C58 H42 N4 O6
• Calculated formula: C58 H42 N4 O6
• Title of publication: Neutral and Ionic Supramolecular Complexes of Phenanthridine and Some Common Dicarboxylic Acids: Hydrogen Bond and Melting Point Considerations
• Authors of publication: Orola, Liana; Veidis, Mikelis V.; Mutikainen, Ilpo; Sarcevica, Inese
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 4009
• a: 11.299 ± 0.002 Å
• b: 13.591 ± 0.003 Å
• c: 15.293 ± 0.003 Å
• α: 78.55 ± 0.03°
• β: 75.83 ± 0.03°
• γ: 75.89 ± 0.03°
• Cell volume: 2184.1 ± 0.9 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.1284
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections: 0.1896
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0412
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No