Information card for entry 4089306

Structure parameters

• Common name: compound 3iPr2c
• Formula: C42.5 H62.25 B Cl3.25 N8 O2 Pd
• Calculated formula: C42.74 H57 B Cl3.48 N8 O2 Pd
• Title of publication: N/O- and C-Bound (Enolato)palladium Complexes with Hydrotris(pyrazolyl)borato Ligands (TpR: R = iPr2, Me2) Obtained via Dehydrative Condensation between the Hydroxo Complexes TpRPd(Py)OH and Active Methylene Compounds: Factors Determining the Isomer Distribution and Dimerization of Cyano Compounds
• Authors of publication: Kujime, Masato; Hikichi, Shiro; Akita, Munetaka
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 19
• Pages of publication: 4049
• a: 13.6055 ± 0.0016 Å
• b: 16.6303 ± 0.0012 Å
• c: 23.331 ± 0.002 Å
• α: 90°
• β: 102.653 ± 0.002°
• γ: 90°
• Cell volume: 5150.8 ± 0.8 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.117
• Residual factor for significantly intense reflections: 0.097
• Weighted residual factors for significantly intense reflections: 0.2712
• Weighted residual factors for all reflections included in the refinement: 0.285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.465
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No