Information card for entry 2015374

Structure parameters

• Chemical name: Bromo(η^4^-cycloocta-1,5-diene)[1-(2,3,4,5,6-pentafluorobenzyl)- 3-(2,4,6-trimethylbenzyl)benzimidazol-2-ylidene]rhodium(I)
• Formula: C32 H31 Br F5 N2 Rh
• Calculated formula: C32 H31 Br F5 N2 Rh
• SMILES: [Rh]123(Br)(=C4N(c5ccccc5N4Cc4c(F)c(F)c(F)c(F)c4F)Cc4c(cc(cc4C)C)C)[CH]4CC[CH]1=[CH]2CC[CH]3=4
• Title of publication: Bromo(η^4^-cycloocta-1,5-diene)[1-(2,3,4,5,6-pentafluorobenzyl)-3-(2,4,6-trimethylbenzyl)benzimidazol-2-ylidene]rhodium(I)
• Authors of publication: Dinçer, Muharrem; Özdemir, Namık; Gülcemal, Süleyman; Çetinkaya, Bekir; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m252 - m254
• a: 10.3364 ± 0.0003 Å
• b: 21.9437 ± 0.0009 Å
• c: 12.6549 ± 0.0004 Å
• α: 90°
• β: 93.517 ± 0.003°
• γ: 90°
• Cell volume: 2864.96 ± 0.17 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• 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: 0.0409
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes