Information card for entry 4350390

Structure parameters

• Common name: Complex 14 (Ibrahim), (S3-iPr)Zn-OH-Zn(S3-iPr)
• Formula: C94 H115 B2 Cl7 N12 O6 S6 Zn2
• Calculated formula: C94 H115 B2 Cl7 N12 O6 S6 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: 14.465 ± 0.002 Å
• b: 14.722 ± 0.002 Å
• c: 14.797 ± 0.002 Å
• α: 82.669 ± 0.003°
• β: 73.227 ± 0.003°
• γ: 87.355 ± 0.003°
• Cell volume: 2992.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1729
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.2346
• Weighted residual factors for all reflections included in the refinement: 0.2881
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No