Information card for entry 7061052

Structure parameters

• Formula: C46 H54 Cl2 N10 O11 S Zn2
• Calculated formula: C46 H54 Cl2 N10 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: 14.0208 ± 0.0003 Å
• b: 22.8093 ± 0.0006 Å
• c: 15.7151 ± 0.0004 Å
• α: 90°
• β: 95.988 ± 0.001°
• γ: 90°
• Cell volume: 4998.3 ± 0.2 ų
• Cell temperature: 145 ± 2 K
• Ambient diffraction temperature: 145.35 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.1912
• Weighted residual factors for all reflections included in the refinement: 0.1974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No