Information card for entry 7720989

Structure parameters

• Formula: C44 H40.15 Cd4 Cl4 N8 O6
• Calculated formula: C44 H40.152 Cd4 Cl4 N8 O6
• Title of publication: A novel Cd4O4 cubane cluster-based complex and its bifunctional catalytic activity aiming for artificial photosynthesis
• Authors of publication: Sooraj, M.; Haritha, B.; Remello, S. N.; Manoj, E.
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 15.0495 ± 0.0005 Å
• b: 20.9665 ± 0.0007 Å
• c: 15.3836 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4854.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0201
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No