Information card for entry 7061050

Structure parameters

• Formula: C45 H54 B2 F8 N10 O S Zn2
• Calculated formula: C45 H54 B2 F8 N10 O 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: 14.2217 ± 0.0007 Å
• b: 22.1402 ± 0.0012 Å
• c: 15.7926 ± 0.0008 Å
• α: 90°
• β: 98.363 ± 0.002°
• γ: 90°
• Cell volume: 4919.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0873
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.2048
• Weighted residual factors for all reflections included in the refinement: 0.2152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No