Information card for entry 7061053

Structure parameters

• Formula: C56 H68 Cl2 N12 O12 S Zn2
• Calculated formula: C53 H61 Cl2 N11 O11 S Zn2
• Title of publication: Synthesis and redox reactions of binuclear zinc(ii)–thiolate complexes with elemental sulfur
• Authors of publication: Naskar, Tilak; Pal, Nabhendu; Majumdar, Amit
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 47
• Pages of publication: 22406 - 22416
• a: 13.2634 ± 0.0016 Å
• b: 13.5038 ± 0.0016 Å
• c: 19.653 ± 0.003 Å
• α: 99.629 ± 0.004°
• β: 101.399 ± 0.004°
• γ: 115.316 ± 0.004°
• Cell volume: 2990.6 ± 0.7 ų
• Cell temperature: 148 ± 2 K
• Ambient diffraction temperature: 148.07 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: 0.0643
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No