Information card for entry 2232668

Structure parameters

• Chemical name: [(1,2,5,6-η)-Cycloocta-1,5-diene]bis(1-isopropyl-3- methylimidazolin-2-ylidene)rhodium(I) tetrafluoridoborate
• Formula: C22 H36 B F4 N4 Rh
• Calculated formula: C22 H36 B F4 N4 Rh
• SMILES: [B](F)(F)(F)[F-].C1(N(C=CN1C)C(C)C)=[Rh]123([CH]4=[CH]1CC[CH]2=[CH]3CC4)=C1N(C=CN1C)C(C)C
• Title of publication: [(1,2,5,6-η)-Cycloocta-1,5-diene]bis(1-isopropyl-3-methylimidazolin-2-ylidene)rhodium(I) tetrafluoridoborate
• Authors of publication: Nichol, Gary S.; Rajaseelan, Jonathan; Walton, David P.; Rajaseelan, Edward
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1860 - m1861
• a: 11.7508 ± 0.0006 Å
• b: 11.9283 ± 0.0006 Å
• c: 17.3129 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2426.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes