Information card for entry 7003184

Structure parameters

• Formula: C39 H39 N9
• Calculated formula: C39 H39 N9
• SMILES: n1(nc(cc1)c1ncccc1)Cc1c(c(c(c(c1CC)Cn1nc(cc1)c1ncccc1)CC)Cn1nc(cc1)c1ncccc1)CC
• 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: 11.3126 ± 0.0006 Å
• b: 26.385 ± 0.002 Å
• c: 12.2108 ± 0.001 Å
• α: 90°
• β: 109.579 ± 0.004°
• γ: 90°
• Cell volume: 3434 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 3
• 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: 0.0691
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No