Information card for entry 4309039

Structure parameters

• Formula: C10 H18 N4 Na2 O9
• Calculated formula: C10 H18 N4 Na2 O9
• SMILES: [Na+].[Na+].O=C([O-])C(C(c1[nH]ccn1)c1ncc[nH]1)C(=O)[O-].O.O.O.O.O
• Title of publication: Structural, Magnetic, and Spectroscopic Comparative Studies on Four New Derivatives of DIMMAL (2-Di1H-2-imidazolylmethylmalonate): A Novel Generator of Multidimensional Networks
• Authors of publication: Hugo Núñez; Lucía Soto; Juan Server-Carrió; Julia García-Lozano; Amparo Sancho; Rafael Acerete; Emilio Escrivà
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 4644 - 4655
• a: 8.459 ± 0.005 Å
• b: 8.664 ± 0.005 Å
• c: 12.403 ± 0.005 Å
• α: 70.9 ± 0.005°
• β: 72.29 ± 0.005°
• γ: 81.95 ± 0.005°
• Cell volume: 817.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1739
• Weighted residual factors for all reflections included in the refinement: 0.1927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No