Information card for entry 7243036

Structure parameters

• Formula: C28 H35 Cl2 Cu N4 O11
• Calculated formula: C28 H35 Cl2 Cu N4 O11
• Title of publication: Paramagnetic solid-state NMR assignment and novel chemical conversion of the aldehyde group to dihydrogen ortho ester and hemiacetal moieties in copper(ii)- and cobalt(ii)-pyridinecarboxaldehyde complexes
• Authors of publication: Crespi, Ayelén F.; Sánchez, Verónica M.; Vega, Daniel; Pérez, Ana L.; Brondino, Carlos D.; Linck, Yamila Garro; Hodgkinson, Paul; Rodríguez-Castellón, Enrique; Lázaro-Martínez, Juan M.
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 33
• Pages of publication: 20216 - 20231
• a: 24.4486 ± 0.0003 Å
• b: 24.4486 ± 0.0003 Å
• c: 29.1012 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15064.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1076
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.245
• Weighted residual factors for all reflections included in the refinement: 0.2739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No