Information card for entry 2108361

Structure parameters

• Formula: C16 H22 N10 O10
• Calculated formula: C16 H22 N10 O10
• SMILES: N1C(=O)NC(=O)C=C1[O-].N1C(=O)NC(=O)CC1=O.[nH]1c(=O)nc(N)cc1.[nH]1c(=O)[nH+]c(N)cc1.O.O
• Title of publication: A proposal for coherent nomenclature of multicomponent crystals
• Authors of publication: Gryl, Marlena; Kozieł, Marcin; Stadnicka, Katarzyna M.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 1
• a: 6.7486 ± 0.0003 Å
• b: 10.5419 ± 0.0004 Å
• c: 15.658 ± 0.0007 Å
• α: 81.293 ± 0.003°
• β: 79.732 ± 0.002°
• γ: 79.974 ± 0.003°
• Cell volume: 1071.02 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes