Information card for entry 2209076

Structure parameters

• Chemical name: 1,10-phenanthroline‒(L)-(+)-tartaric acid‒water (1/1/3)
• Formula: C16 H20 N2 O9
• Calculated formula: C16 H20 N2 O9
• SMILES: c1ccc2ccc3cccnc3c2n1.C(=O)([C@@H]([C@H](C(=O)O)O)O)O.O.O.O
• Title of publication: 1,10-Phenanthroline (2<i>R</i>,3<i>R</i>)-tartaric acid trihydrate
• Authors of publication: Wang, Zi-Liang; Li, Ming-Xue; Wei, Lin-Heng; Wang, Jing-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2508 - o2509
• a: 7.1625 ± 0.0011 Å
• b: 12.68 ± 0.002 Å
• c: 19.573 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1777.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes