Information card for entry 4350381

Structure parameters

• Common name: Complex 3 (Böhmerle), Tp(CONHtBu,Me)Zn-OH2
• Formula: C27.5 H5 B Cl2 D40 N9 O8 Zn
• Calculated formula: C27.5 H5 B Cl2 D40 N9 O8 Zn
• 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: 11.9562 ± 0.0015 Å
• b: 13.4373 ± 0.0017 Å
• c: 13.6557 ± 0.0017 Å
• α: 116.857 ± 0.002°
• β: 103.009 ± 0.002°
• γ: 94.37 ± 0.002°
• Cell volume: 1866.7 ± 0.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No