Information card for entry 7061049

Structure parameters

• Formula: C46 H59 Cl2 N11 O12 Zn2
• Calculated formula: C46 H59 Cl2 N11 O12 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: 14.008 ± 0.015 Å
• b: 23.22 ± 0.02 Å
• c: 16.11 ± 0.017 Å
• α: 90°
• β: 99.568 ± 0.015°
• γ: 90°
• Cell volume: 5167 ± 9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1432
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.2322
• Weighted residual factors for all reflections included in the refinement: 0.2721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No