Information card for entry 7228648

Structure parameters

• Formula: C35 H25 Cl F18 Ir N3
• Calculated formula: C35 H25 Cl F18 Ir N3
• SMILES: [Ir]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]2([c]5([c]4([c]31C)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: 8.8697 ± 0.0004 Å
• b: 13.3962 ± 0.0006 Å
• c: 16.587 ± 0.002 Å
• α: 94.899 ± 0.008°
• β: 103.171 ± 0.008°
• γ: 97.543 ± 0.004°
• Cell volume: 1888.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0402
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No