Information card for entry 7716361

Structure parameters

• Formula: C43 H75 Cl4 Cu3 N15 O19
• Calculated formula: C43 H75 Cl4 Cu3 N15 O19
• Title of publication: Chemical fixation of atmospheric CO₂ in tricopper(II)-carbonato complexes with tetradentate N-donor ligands: reactive intermediates, probable mechanisms, and 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 (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 27
• Pages of publication: 11514 - 11530
• a: 18.3268 ± 0.0003 Å
• b: 18.3268 ± 0.0003 Å
• c: 18.3268 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6155.45 ± 0.17 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0633
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No