Information card for entry 7228650

Structure parameters

• Formula: C29 H28 Cl4 N3 Rh
• Calculated formula: C29 H28 Cl4 N3 Rh
• SMILES: [Rh]12345([N](=C(N1c1ccc(Cl)cc1)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1)(Cl)[c]1([c]3([c]4([c]5([c]21C)C)C)C)C
• Title of publication: Syntheses, characterisation, and catalytic role of (η5-C5Me5)Rh(iii) guanidinato complexes in transfer hydrogenation (TH) and TH‒etherification
• Authors of publication: Kumar, Robin; Thirupathi, Natesan
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 54
• Pages of publication: 33890
• a: 8.4625 ± 0.0005 Å
• b: 23.7259 ± 0.0013 Å
• c: 15.4211 ± 0.001 Å
• α: 90°
• β: 105.977 ± 0.006°
• γ: 90°
• Cell volume: 2976.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No