Information card for entry 7016940

Structure parameters

• Formula: C19 H31 Br2 N4 O2 Rh
• Calculated formula: C19 H31 Br2 N4 O2 Rh
• SMILES: C12N(C=CN1CCCN1C(N(C=C1)CCCC)=[Rh]1=2([O]=C(C)O1)(Br)Br)CCCC
• Title of publication: Smooth C(alkyl)-H bond activation in rhodium complexes comprising abnormal carbene ligands.
• Authors of publication: Krüger, Anneke; Häller, L Jonas L; Müller-Bunz, Helge; Serada, Olha; Neels, Antonia; Macgregor, Stuart A.; Albrecht, Martin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 38
• Pages of publication: 9911 - 9920
• a: 11.8107 ± 0.0011 Å
• b: 12.052 ± 0.0009 Å
• c: 16.1426 ± 0.0016 Å
• α: 90°
• β: 95.827 ± 0.012°
• γ: 90°
• Cell volume: 2285.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0431
• Weighted residual factors for all reflections included in the refinement: 0.0486
• Goodness-of-fit parameter for all reflections included in the refinement: 0.673
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No