Information card for entry 1576834

Structure parameters

• Formula: C29 H29 N9 Ni O S2
• Calculated formula: C29 H29 N9 Ni O S2
• Title of publication: Cis-thiolate bridged heterobimetallic complexes as efficient catalysts for glycosyl triazole synthesis
• Authors of publication: Shrivastav, Akash; Tiwari, Raman Kumar; Yadav, Mangal S.; Bhattacharya, Subrato
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2026
• Journal volume: 16
• Journal issue: 5
• Pages of publication: 1595 - 1609
• a: 13.3546 ± 0.0001 Å
• b: 20.0062 ± 0.0002 Å
• c: 21.7751 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5817.76 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No