Information card for entry 7018945

Structure parameters

• Formula: C28 H35 Cl Cu4 N4 O15
• Calculated formula: C28 H35 Cl Cu4 N4 O15
• SMILES: c12cccc3C[O]4[Cu]56([n]7c(C[O]5[Cu]58([n]9c(cccc9C[O]8[Cu]89[n]%10c(C[OH]8)cccc%10C[O]9[Cu]4([n]23)([OH]C1)[OH2])CO5)[OH2])cccc7CO6)O.[O-]Cl(=O)(=O)=O
• Title of publication: Assembly of trinuclear and tetranuclear building units of Cu(2+) towards two 1D magnetic systems: synthesis and magneto-structural correlations.
• Authors of publication: Chakraborty, Anindita; Gurunatha, K. L.; Muthulakshmi, A.; Dutta, Sudipta; Pati, Swapan K.; Maji, Tapas Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 19
• Pages of publication: 5879 - 5888
• a: 7.9039 ± 0.0002 Å
• b: 15.7253 ± 0.0004 Å
• c: 27.7552 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3449.73 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P b n 21
• Hall space group symbol: P 2c -2ab
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No