Information card for entry 1512734

Structure parameters

• Formula: C24 H29 Cu2 N2 Na3 O16.25
• Calculated formula: C24 H29 Cu2 N2 Na3 O16.25
• SMILES: c12ccccc1C(=O)O[Cu]134[N](C2)(CC(=O)O1)CC1[O]3[Cu]2(OC(O4)=O)([N]3(C1)CC(=O)O2)OC(=O)c1c(C3)cccc1.[Na+].O.O.[Na+].O.[Na+].O.O
• Title of publication: Synthesis, crystal structure, magnetic and electrochemical studies of two copper complexes with carboxylate rich dinucleating ligand
• Authors of publication: Rebecca A. Joy; Hadi Arman; Shengchang Xiang; Ghezai T. Musie
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 393
• Pages of publication: 220 - 228
• a: 18.322 ± 0.003 Å
• b: 7.4425 ± 0.001 Å
• c: 23.236 ± 0.004 Å
• α: 90°
• β: 111.293 ± 0.002°
• γ: 90°
• Cell volume: 2952.2 ± 0.8 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No