Information card for entry 7055958

Structure parameters

• Formula: C14 H39 Co2 N7 O16
• Calculated formula: C14 H39 Co2 N7 O16
• SMILES: [Co]12345([Co]678([O]1CC[N]4(CC[OH]2)CCC[NH2]5)([O]3CC[N]7(CC[O]6)CCC[NH2]8)[OH2])[OH2].O=N(=O)[O-].O=N(=O)[O-].O=N(=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: 15.2182 ± 0.0003 Å
• b: 14.6493 ± 0.0003 Å
• c: 23.9361 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5336.22 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No