Information card for entry 7003182

Structure parameters

• Formula: C51 H63 B3 F12 N12 O6 Pd3
• Calculated formula: C51 H45 B3 F12 N12 O6 Pd3
• Title of publication: Syntheses of novel di- and trinucleating ligands having a triethylbenzene core with N,N-bidentate tethers: their complexation toward Pd and Rh organometallic fragments
• Authors of publication: Higashihara, Gou; Inagaki, Akiko; Akita, Munetaka
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 14
• Pages of publication: 1888 - 1898
• a: 13.074 ± 0.008 Å
• b: 15.005 ± 0.009 Å
• c: 17.337 ± 0.009 Å
• α: 105.76 ± 0.04°
• β: 97.23 ± 0.04°
• γ: 110.73 ± 0.02°
• Cell volume: 2967 ± 3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.138
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1876
• Weighted residual factors for all reflections included in the refinement: 0.2264
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No