Information card for entry 7003183

Structure parameters

• Formula: C65.5 H82.5 B3 F12 N11.5 O5 Rh3
• Calculated formula: C65.5 H90 B3 F12 N11.5 O5 Rh3
• 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: 14.304 ± 0.003 Å
• b: 14.663 ± 0.005 Å
• c: 18.456 ± 0.006 Å
• α: 104.89 ± 0.011°
• β: 90.88 ± 0.02°
• γ: 108.688 ± 0.016°
• Cell volume: 3523.5 ± 1.9 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: 0.1217
• Residual factor for significantly intense reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.2375
• Weighted residual factors for all reflections included in the refinement: 0.2726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No