Information card for entry 7064204

Structure parameters

• Formula: C84 H114 Cu4 N16 Ni2 O13 P4 S12
• Calculated formula: C84 H108 Cu4 N16 Ni2 O10 P4 S12
• Title of publication: Tunable Cu-Ni phosphine-thiolate complexes as water-compatible catalyst for base-free click chemistry
• Authors of publication: Chaturvedi, Nishtha; Pandey, Vinay Kumar; Tiwari, Vinod K.; Bhattacharya, Subrato
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• a: 17.9807 ± 0.0002 Å
• b: 17.9807 ± 0.0002 Å
• c: 16.7565 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5417.47 ± 0.13 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 8
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.2576
• Weighted residual factors for all reflections included in the refinement: 0.2692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No