Information card for entry 2004188

Structure parameters

• Formula: C12 H10 N2 O
• Calculated formula: C12 H8 N2 O
• Title of publication: Screw-Chain Structure of 1,10-Phenanthroline Hydrate, C~12~H~8~N~2~.H~2~O
• Authors of publication: Tian, Y.-P.; Duan, C.-Y.; Xu, X.-X.; You, X.-Z.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 11
• Pages of publication: 2309 - 2312
• a: 17.833 ± 0.003 Å
• b: 17.833 ± 0.003 Å
• c: 8.543 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2352.8 ± 0.6 ų
• Cell temperature: 296 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.061
• Goodness-of-fit parameter for significantly intense reflections: 1.77
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No