Information card for entry 7101962

Structure parameters

• Formula: C18 H29 I3 N13 O Rh
• Calculated formula: C18 H29 I3 N13 O Rh
• SMILES: [Rh]12(I)(I)(=C3N(N4C=1N(N=C4)C)C=NN3C)=C1N(N3C=2N(N=C3)C)C=NN1C.[I-].N#CC.O(CC)CC
• 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: 11.691 ± 0.002 Å
• b: 9.883 ± 0.002 Å
• c: 26.375 ± 0.005 Å
• α: 90°
• β: 97.77 ± 0.03°
• γ: 90°
• Cell volume: 3019.4 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0861
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No