Information card for entry 1575804

Structure parameters

• Formula: C81 H77 B F20 N5 Zn
• Calculated formula: C81 H77 B F20 N5 Zn
• Title of publication: Bulky bis-guanidine ligand-based neutral and cationic zinc alkyl, halide, and hydride complexes: synthesis, characterization, and catalytic application.
• Authors of publication: Sahoo, Rajata Kumar; Mukhopadhyay, Sayantan; Rajput, Sagrika; Jana, Achintya; Nembenna, Sharanappa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 41
• Pages of publication: 15554 - 15560
• a: 17.2919 ± 0.0003 Å
• b: 24.0736 ± 0.0007 Å
• c: 19.9128 ± 0.0004 Å
• α: 90°
• β: 92.305 ± 0.002°
• γ: 90°
• Cell volume: 8282.6 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.1695
• Residual factor for significantly intense reflections: 0.141
• Weighted residual factors for significantly intense reflections: 0.3768
• Weighted residual factors for all reflections included in the refinement: 0.4033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.565
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No