Information card for entry 2224724

Structure parameters

• Common name: 1,10-Phenanthrolin-1-ium hydrogen (<i>S</i>,<i>S</i>)-tartrate trihydrate
• Formula: C16 H20 N2 O9
• Calculated formula: C16 H20 N2 O9
• SMILES: O=C(O)[C@@H](O)[C@H](O)C(=O)[O-].n1cccc2ccc3ccc[nH+]c3c12.O.O.O
• Title of publication: 1,10-Phenanthrolin-1-ium hydrogen (<i>S</i>,<i>S</i>)-tartrate trihydrate and a correction
• Authors of publication: Derikvand, Zohreh; Olmstead, Marilyn M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o185
• a: 7.1163 ± 0.0014 Å
• b: 12.482 ± 0.003 Å
• c: 19.466 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1729.1 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0327
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes