Information card for entry 7044555

Structure parameters

• Formula: C23 H45 Cl F6 N P3 Ru
• Calculated formula: C23 H45 Cl F6 N P3 Ru
• SMILES: [Ru]123456([P@](N[P]1(C(C)(C)C)C(C)(C)C)(C)C(C)(C)C)(Cl)[cH]1[c]6([cH]5[cH]4[c]3([cH]21)C)C(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Half-Sandwich Complexes of Ir(III), Rh(III) and Ru(II) with the MaxPhos Ligand: Metal Centred Chirality and Cyclometallation
• Authors of publication: Téllez, Juan; Gallen, Albert; Ferrer, Joaquina; Lahoz, Fernando J.; García-Orduña, Pilar; Riera, Antoni; Verdaguer, Xavier; Carmona, Daniel; Grabulosa, Arnald
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.8826 ± 0.0006 Å
• b: 16.1242 ± 0.0008 Å
• c: 17.1538 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3010 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0231
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0518
• 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