Information card for entry 1576835

Structure parameters

• Formula: C63 H53 Cl3 Cu N9 Ni O3.14 P2 S2
• Calculated formula: C63 H53 Cl3 Cu N9 Ni O3.14 P2 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: 19.9114 ± 0.0002 Å
• b: 17.0586 ± 0.0002 Å
• c: 38.7226 ± 0.0004 Å
• α: 90°
• β: 96.291 ± 0.001°
• γ: 90°
• Cell volume: 13073.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No