Information card for entry 7201092

Structure parameters

• Common name: lithium (triaqua (3,5-dinitrobenzoate) (4- (dimethylamino)benzoate))
• Chemical name: lithium [triaqua (3,5-dinitrobenzoate) (4-(dimethylamino)benzoate)]
• Formula: C16 H19 Li2 N3 O11
• Calculated formula: C16 H19 Li2 N3 O11
• Title of publication: Formation of a hybrid coordination-molecular complex
• Authors of publication: Seaton, Colin C.; Scowen, Ian J.; Blagden, Nicholas
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 1793
• a: 6.4134 ± 0.0006 Å
• b: 7.4639 ± 0.0007 Å
• c: 40.105 ± 0.004 Å
• α: 90°
• β: 94.439 ± 0.004°
• γ: 90°
• Cell volume: 1914 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No