Information card for entry 4074109

Structure parameters

• Formula: C15 H18 Cl N4 Rh
• Calculated formula: C15 H18 Cl N4 Rh
• Title of publication: N-Heterocyclic Carbene−Transition Metal Complexes: Spectroscopic and Crystallographic Analyses of π-Back-bonding Interactions
• Authors of publication: Khramov, Dimitri M.; Lynch, Vincent M.; Bielawski, Christopher W.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 24
• Pages of publication: 6042
• a: 14.491 ± 0.0008 Å
• b: 11.043 ± 0.0005 Å
• c: 20.088 ± 0.001 Å
• α: 90°
• β: 96.598 ± 0.003°
• γ: 90°
• Cell volume: 3193.3 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.1012
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No