Information card for entry 7064205

Structure parameters

• Formula: C43 H38 N4 Ni O P3 S6
• Calculated formula: C43 H38 N4 Ni O P3 S6
• 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: 8.3069 ± 0.0002 Å
• b: 14.2107 ± 0.0003 Å
• c: 20.9064 ± 0.0003 Å
• α: 96.525 ± 0.001°
• β: 98.97 ± 0.001°
• γ: 100.841 ± 0.002°
• Cell volume: 2368.11 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No