Information card for entry 1508219

Structure parameters

• Formula: C20 H24 Cu N5 Na O5
• Calculated formula: C20 H24 Cu N5 Na O5
• SMILES: [Na]123([O]([Cu]456)c7c(cccc7C=[N]4CCC[N]5=Cc4c(c(ccc4)[O]1C)[O]26)[O]3C)(N=N#N)[OH]C
• Title of publication: Anion mediated diversity in the H-bonded assembly of a series of heteronuclear copper(II)/sodium(I) compounds
• Authors of publication: Bhowmika, Prasanta; Janaa, Subrata; Janab, Partha Pratim; Harmsb, Klaus; Chattopadhyay, Shouvik
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 390
• Pages of publication: 53 - 60
• a: 7.259 ± 0.0002 Å
• b: 11.0904 ± 0.0003 Å
• c: 13.5757 ± 0.0003 Å
• α: 96.854 ± 0.001°
• β: 101.099 ± 0.001°
• γ: 93.095 ± 0.001°
• Cell volume: 1061.48 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No