Information card for entry 7003310

Structure parameters

• Formula: C97 H172 Cl N2 O6 Rh
• Calculated formula: C97 H172 Cl N2 O6 Rh
• SMILES: [Rh]123(Cl)(=C4N(C=CN4Cc4cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c4)Cc4cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c4)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: N-Heterocyclic carbene ligands bearing hydrophilic and/or hydrophobic chains: Rh(i) and Pd(ii) complexes and their catalytic activity
• Authors of publication: Ohta, Hidetoshi; Fujihara, Tetsuaki; Tsuji, Yasushi
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 3
• Pages of publication: 379
• a: 10.179 ± 0.01 Å
• b: 12.521 ± 0.016 Å
• c: 41.57 ± 0.16 Å
• α: 84.3 ± 0.9°
• β: 88.4 ± 0.9°
• γ: 61.4 ± 0.3°
• Cell volume: 4628 ± 2 ų
• Cell temperature: 153.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.1684
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No