Information card for entry 7228647

Structure parameters

• Formula: C32 H28 Cl F9 N3 Rh
• Calculated formula: C32 H28 Cl F9 N3 Rh
• SMILES: [Rh]12345(Cl)([N](=C(N1c1ccccc1C(F)(F)F)Nc1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F)[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: 9.8151 ± 0.0004 Å
• b: 15.3776 ± 0.0007 Å
• c: 21.161 ± 0.0008 Å
• α: 96.403 ± 0.003°
• β: 90.056 ± 0.003°
• γ: 92.318 ± 0.003°
• Cell volume: 3171.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1132
• Residual factor for significantly intense reflections: 0.0855
• Weighted residual factors for significantly intense reflections: 0.2062
• Weighted residual factors for all reflections included in the refinement: 0.223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No