Information card for entry 2016416

Structure parameters

• Chemical name: diaquadinitramidatolithium(I)
• Formula: H4 Li N3 O6
• Calculated formula: H4 Li N3 O6
• SMILES: [Li]1([O]=N(=O)N=N(O1)=O)([OH2])[OH2]
• Title of publication: Oxygen <i>versus</i> nitrogen interactions in lithium dinitramidate dihydrate and pyridinium dinitramidate
• Authors of publication: Klapötke, Thomas M.; Krumm, Burkhard; Scherr, Matthias
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m17 - m19
• a: 12.574 ± 0.005 Å
• b: 7.679 ± 0.005 Å
• c: 6.321 ± 0.005 Å
• α: 90°
• β: 114.351 ± 0.005°
• γ: 90°
• Cell volume: 556 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes