Information card for entry 7228644

Structure parameters

• Formula: C36 H29 Cl F18 N3 O Rh
• Calculated formula: C36 H29 Cl F18 N3 O Rh
• SMILES: [Rh]12345(Cl)([N](=C(N1c1cc(cc(c1)C(F)(F)F)C(F)(F)F)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)[c]1([c]3([c]4([c]5([c]21C)C)C)C)C.OC
• 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: 12.93 ± 0.005 Å
• b: 24.943 ± 0.005 Å
• c: 12.939 ± 0.005 Å
• α: 90 ± 0.005°
• β: 107.458 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3981 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.0652
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No