Information card for entry 4309041

Structure parameters

• Formula: C20 H24 Cu2 N8 O12
• Calculated formula: C20 H24 Cu2 N8 O12
• SMILES: C12c3[nH]cc[n]3[Cu]3([OH2])([n]4c2[nH]cc4)OC(=O)C(C2c4[nH]cc[n]4[Cu]4([n]5c2[nH]cc5)(OC(=O)C1C(=O)O4)[OH2])C(=O)O3.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: 8.083 ± 0.0004 Å
• b: 9.1351 ± 0.0004 Å
• c: 9.182 ± 0.001 Å
• α: 71.99 ± 0.01°
• β: 75.6 ± 0.01°
• γ: 83.33 ± 0.01°
• Cell volume: 623.95 ± 0.09 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: 0.0635
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No