Information card for entry 4078760

Structure parameters

• Formula: C21 H24 N Rh
• Calculated formula: C21 H24 N Rh
• SMILES: [RhH]12345([c]6([c]1([c]2([c]3([c]46C)C)C)C)C)c1ccccc1c1cccc[n]51
• Title of publication: Synthesis, Electrochemistry, and Reactivity of New Iridium(III) and Rhodium(III) Hydrides
• Authors of publication: Hu, Yue; Li, Ling; Shaw, Anthony P.; Norton, Jack R.; Sattler, Wesley; Rong, Yi
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 14
• Pages of publication: 5058
• a: 13.3812 ± 0.0011 Å
• b: 7.5998 ± 0.0007 Å
• c: 17.7777 ± 0.0015 Å
• α: 90°
• β: 111.504 ± 0.001°
• γ: 90°
• Cell volume: 1682 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0529
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No