Information card for entry 7228652

Structure parameters

• Formula: C19 H14 Cl3 N3
• Calculated formula: C19 H14 Cl3 N3
• SMILES: C(=Nc1ccc(cc1)Cl)(Nc1ccc(cc1)Cl)Nc1ccc(cc1)Cl
• 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: 11.728 ± 0.006 Å
• b: 36.452 ± 0.017 Å
• c: 9.417 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4026 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1807
• Residual factor for significantly intense reflections: 0.1017
• Weighted residual factors for significantly intense reflections: 0.2944
• Weighted residual factors for all reflections included in the refinement: 0.3607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No