Information card for entry 4350380

Structure parameters

• Common name: Complex 2 (Perez), [Tp4‘Py,MeZn·OH2]ClO4
• Chemical name: Hydrotris(3-(4‘-pyridyl)-5-methyl)pyrazolylborate zinc aqua perchlorate
• Formula: C55 H57 B2 Cl2 N18 O12 Zn2
• Calculated formula: C55 H57 B2 Cl2 N18 O12 Zn2
• 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: 26.312 ± 0.006 Å
• b: 11.316 ± 0.002 Å
• c: 25.932 ± 0.006 Å
• α: 90°
• β: 110.907 ± 0.004°
• γ: 90°
• Cell volume: 7213 ± 3 ų
• Cell temperature: 247 ± 2 K
• Ambient diffraction temperature: 247 ± 2 K
• Number of distinct elements: 7
• 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: 0.1925
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.1975
• Weighted residual factors for all reflections included in the refinement: 0.235
• Goodness-of-fit parameter for all reflections included in the refinement: 0.783
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No