Information card for entry 4350382

Structure parameters

• Common name: Complex 4 (Tekeste), [(Tp(Ph,Me)ZnOH)2]-H-tetraphenylborat
• Chemical name: Bis[Hydrotris(3-phenyl-5-methyl-pyrazol-1-yl)borato-zink)]-hydro-Ph4B
• Formula: C84 H78 B3 N12 O2 Zn2
• Calculated formula: C84 H78 B3 N12 O2 Zn2
• SMILES: [Zn]12([n]3n([BH](n4[n]1c(cc4C)c1ccccc1)n1[n]2c(cc1C)c1ccccc1)c(cc3c1ccccc1)C)[OH2].[Zn]12([n]3n([BH](n4[n]1c(cc4C)c1ccccc1)n1[n]2c(cc1C)c1ccccc1)c(cc3c1ccccc1)C)O.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Zn-OH2 and Zn-OH complexes with hydroborate-derived tripod ligands: a comprehensive study.
• Authors of publication: Ibrahim, Mohamed M.; Olmo, Cristina Pérez; Tekeste, Teame; Seebacher, Jan; He, Guosen; Maldonado Calvo, José A; Böhmerle, Karin; Steinfeld, Gunther; Brombacher, Horst; Vahrenkamp, Heinrich
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 18
• Pages of publication: 7493 - 7502
• a: 13.249 ± 0.003 Å
• b: 14.106 ± 0.003 Å
• c: 20.984 ± 0.004 Å
• α: 72.788 ± 0.003°
• β: 87.391 ± 0.003°
• γ: 88.649 ± 0.003°
• Cell volume: 3742 ± 1.4 ų
• Cell temperature: 245 ± 2 K
• Ambient diffraction temperature: 245 ± 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: 0.1075
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No