Information card for entry 1575807

Structure parameters

• Formula: C77 H77 B Cl3 F20 N5 Zn
• Calculated formula: C77 H77 B Cl3 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: 16.1606 ± 0.0004 Å
• b: 17.0908 ± 0.0003 Å
• c: 17.4475 ± 0.0003 Å
• α: 76.126 ± 0.002°
• β: 73.337 ± 0.002°
• γ: 78.115 ± 0.002°
• Cell volume: 4432.88 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1339
• Residual factor for significantly intense reflections: 0.1232
• Weighted residual factors for significantly intense reflections: 0.3766
• Weighted residual factors for all reflections included in the refinement: 0.3906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.646
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No