Information card for entry 2015928

Structure parameters

• Chemical name: [1,3-Bis(2,3,4,5,6-pentafluorobenzyl)benzimidazol-2- ylidene]bromido(η^4^-cycloocta-1,5-diene)rhodium(I)
• Formula: C29 H20 Br F10 N2 Rh
• Calculated formula: C29 H20 Br F10 N2 Rh
• SMILES: [Rh]123(Br)(=C4N(c5ccccc5N4Cc4c(F)c(F)c(F)c(F)c4F)Cc4c(F)c(F)c(F)c(F)c4F)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: [1,3-Bis(2,3,4,5,6-pentafluorobenzyl)benzimidazol-2-ylidene]bromido(η^4^-cycloocta-1,5-diene)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: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m228 - m230
• a: 10.3441 ± 0.0005 Å
• b: 21.4937 ± 0.001 Å
• c: 15.4717 ± 0.0007 Å
• α: 90°
• β: 125.629 ± 0.003°
• γ: 90°
• Cell volume: 2795.9 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes