Information card for entry 7024549

Structure parameters

• Formula: C23 H44 B N9 O Zn
• Calculated formula: C23 H44 B N9 O Zn
• SMILES: [BH]12n3c(C)nc(C(C)(C)C)[n]3[Zn](CC)([n]3c(C(C)(C)C)nc(C)n13)[n]1c(C(C)(C)C)nc(C)n21.O
• Title of publication: New alkylzinc complexes with bulky tris(triazolyl)borate ligands: surprising water stability and reactivity.
• Authors of publication: Kumar, Mukesh; Papish, Elizabeth T.; Zeller, Matthias; Hunter, Allen D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 1
• Pages of publication: 59 - 61
• a: 9.705 ± 0.002 Å
• b: 17.4 ± 0.004 Å
• c: 17.905 ± 0.004 Å
• α: 107.001 ± 0.003°
• β: 94.126 ± 0.004°
• γ: 97.47 ± 0.004°
• Cell volume: 2847.5 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.222
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No