Information card for entry 4072163

Structure parameters

• Chemical name: Tetrakis-μ-(pyrrolidinato)-bis(benzonitrile)dirhodium(II,III) tetrafluoroborate
• Formula: C30.7 H35.4 B Cl1.4 F4 N6 O4 Rh2
• Calculated formula: C30.704 H35.408 B Cl1.408 F4 N6 O4 Rh2
• Title of publication: Removal of Metal−Metal Bonding in a Dimetallic Paddlewheel Complex: Molecular and Electronic Structure of Bis(phenyl) Dirhodium(III) Carboxamidate Compounds
• Authors of publication: Wolf, Joffrey; Poli, Rinaldo; Xie, Jian-Hua; Nichols, Jason; Xi, Bin; Zavalij, Peter; Doyle, Michael P.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 22
• Pages of publication: 5836
• a: 8.1512 ± 0.0014 Å
• b: 15.89 ± 0.003 Å
• c: 13.803 ± 0.002 Å
• α: 90°
• β: 97.983 ± 0.003°
• γ: 90°
• Cell volume: 1770.5 ± 0.5 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No