Information card for entry 2200096

Structure parameters

• Common name: 4,7-phenanthroline
• Chemical name: 4,7-phenanthroline
• Formula: C12 H8 N2
• Calculated formula: C12 H8 N2
• SMILES: c1ccnc2ccc3ncccc3c12
• Title of publication: 4,7-Phenanthroline
• Authors of publication: Bond, Andrew D.; Shan, Ning; Jones, William
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: o145 - o146
• a: 19.141 ± 0.004 Å
• b: 3.8417 ± 0.0004 Å
• c: 11.564 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 850.3 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes