Information card for entry 4307285

Structure parameters

• Formula: C23 H42 B N9 O3 Zn
• Calculated formula: C23 H42 B N9 O3 Zn
• SMILES: [Zn]123([n]4n([BH](n5[n]1c(nc5C)C(C)(C)C)n1[n]2c(nc1C)C(C)(C)C)c(nc4C(C)(C)C)C)[O]=C(O3)C.O
• Title of publication: Sterically Bulky Tris(triazolyl)borate Ligands as Water-Soluble Analogues of Tris(pyrazolyl)borate
• Authors of publication: Finith E. Jernigan; Nathan A. Sieracki; Michael T. Taylor; Aaron S. Jenkins; Sharon E. Engel; Brittany W. Rowe; Fernando A. Jové; Glenn P. A. Yap; Elizabeth T. Papish; Gregory M. Ferrence
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 360 - 362
• a: 9.764 ± 0.004 Å
• b: 33.236 ± 0.007 Å
• c: 9.82 ± 0.003 Å
• α: 90°
• β: 114.61 ± 0.03°
• γ: 90°
• Cell volume: 2897.3 ± 1.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.2353
• Weighted residual factors for all reflections included in the refinement: 0.2471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No