Information card for entry 7716364

Structure parameters

• Formula: C43 H72 Cl4 Cu3 N12 O19
• Calculated formula: C43 H72 Cl4 Cu3 N12 O19
• Title of publication: Chemical fixation of atmospheric CO2 in tricopper(II)-carbonato complexes with tetradentate N-donor ligands: reactive intermediates, probable mechanism, catalytic and magneto-structural studies
• Authors of publication: Jana, Narayan Ch.; Sun, Yu-Chen; Herchel, Radovan; Nandy, Rakhi; Brandão, Paula; Bagh, Bidraha; Wang, Xin-Yi; Panja, Anangamohan
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 17.8987 ± 0.0007 Å
• b: 17.8987 ± 0.0007 Å
• c: 17.8987 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5734.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No