Information card for entry 1573620

Structure parameters

• Chemical name: CuNDPA
• Formula: C54 H67 Cu K N6 O9
• Calculated formula: C54 H67 Cu K N6 O9
• Title of publication: Self-sensitized Cu(ii)-complex catalyzed solar driven CO₂ reduction.
• Authors of publication: Das, Soumadip; Roy, Aritra; Chakrabarti, Navonil; Mukhopadhyay, Narottam; Sarkar, Aniruddha; Sen Gupta, Sayam
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 7
• Pages of publication: 3114 - 3123
• a: 9.0901 ± 0.0002 Å
• b: 13.3962 ± 0.0002 Å
• c: 22.3177 ± 0.0003 Å
• α: 77.196 ± 0.001°
• β: 86.431 ± 0.001°
• γ: 82.887 ± 0.001°
• Cell volume: 2628.01 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No