Information card for entry 7101961

Structure parameters

• Formula: C8 H11 I3 N7 Rh
• Calculated formula: C8 H11 I3 N7 Rh
• SMILES: [Rh]1(I)(I)(I)([N]#CC)=C2N(N3C=1N(N=C3)C)C=NN2C
• Title of publication: A planar chelating bitriazole N-heterocyclic carbene ligand and its rhodium(III) and dirhodium(II) complexes.
• Authors of publication: Poyatos, Macarena; McNamara, William; Incarvito, Chris; Peris, Eduardo; Crabtree, Robert H
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 22
• Pages of publication: 2267 - 2269
• a: 27.32 ± 0.006 Å
• b: 8.204 ± 0.0016 Å
• c: 15.373 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3445.7 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No