Information card for entry 7707565

Structure parameters

• Formula: C20 H30 Cl N4 Rh
• Calculated formula: C20 H30 Cl N4 Rh
• SMILES: [Rh]1234(Cl)(n5nc(C)cc5C)([n]5[nH]c(cc5C)C)[c]5([c]1(C)[c]3([c]4([c]25C)C)C)C
• Title of publication: Metal-ligand cooperative κ¹-<i>N</i>-pyrazolate Cp*Rh^III-catalysts for dehydrogenation of dimethylamine-borane at room temperature.
• Authors of publication: Pal, Shrinwantu; Iwasaki, Takanori; Nozaki, Kyoko
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 23
• Pages of publication: 7938 - 7943
• a: 8.79 ± 0.0001 Å
• b: 13.13 ± 0.0002 Å
• c: 17.9482 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2071.45 ± 0.05 ų
• Cell temperature: 93.15 K
• Ambient diffraction temperature: 93.15 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0186
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.0493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No