Information card for entry 7055955

Structure parameters

• Formula: C14 H37 Cu2 N6 O12
• Calculated formula: C14 H37 Cu2 N6 O12
• SMILES: [Cu]1234[O](CC[N]1(CCC[NH2]4)CC[OH]2)[Cu]124[O]3CC[N]1(CC[OH]2)CCC[NH2]4.O=N(=O)[O-].O=N(=O)[O-].O.O
• Title of publication: Design, structures and study of non-covalent interactions of mono-, di-, and tetranuclear complexes of a bifurcated quadridentate tripod ligand, N-(aminopropyl)-diethanolamine
• Authors of publication: Sama, Farasha; Ansari, Istikhar A.; Raizada, Mukul; Ahmad, Musheer; Nagaraja, C. M.; Shahid, M.; Kumar, Abhinav; Khan, Kulsum; Siddiqi, Zafar A.
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 5
• Pages of publication: 1959
• a: 11.3213 ± 0.0006 Å
• b: 11.3226 ± 0.0006 Å
• c: 22.7583 ± 0.0012 Å
• α: 76.496 ± 0.002°
• β: 84.96 ± 0.002°
• γ: 60.21 ± 0.001°
• Cell volume: 2460.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0363
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0562
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No