Information card for entry 7024550

Structure parameters

• Formula: C22 H42 B N9 O Zn
• Calculated formula: C22 H42 B N9 O Zn
• SMILES: [BH]12n3c(C)nc(C(C)(C)C)[n]3[Zn](C)([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: 9.6439 ± 0.0013 Å
• b: 9.9572 ± 0.0013 Å
• c: 16.577 ± 0.002 Å
• α: 76.058 ± 0.002°
• β: 84.255 ± 0.002°
• γ: 65.112 ± 0.002°
• Cell volume: 1401.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.05
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No