Information card for entry 7031205

Structure parameters

• Common name: Diacetatobis(tetradecylamine)copper(II)
• Formula: C32 H70 Cu N2 O5
• Calculated formula: C32 H68 Cu N2 O5
• SMILES: [Cu]([NH2]CCCCCCCCCCCCCC)([NH2]CCCCCCCCCCCCCC)(OC(=O)C)OC(=O)C.O
• Title of publication: Ligand chain length conveys thermochromism.
• Authors of publication: Ganguly, Mainak; Panigrahi, Sudipa; Chandrakumar, K. R. S.; Sasmal, Anup Kumar; Pal, Anjali; Pal, Tarasankar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 30
• Pages of publication: 11624 - 11636
• a: 8.519 ± 0.002 Å
• b: 9.763 ± 0.003 Å
• c: 22.676 ± 0.006 Å
• α: 93.901 ± 0.008°
• β: 94.815 ± 0.009°
• γ: 99.624 ± 0.009°
• Cell volume: 1846.4 ± 0.9 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: 0.1071
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No