Information card for entry 4071260

Structure parameters

• Common name: [RuCl2(eta6-P*,kP)] (7)
• Formula: C36 H30 Cl2 N O2 P Ru
• Calculated formula: C36 H30 Cl2 N O2 P Ru
• SMILES: [Ru]123456([P]7(Oc8c(c9c(O7)ccc7ccccc97)c7ccccc7cc8)N(C([c]71[cH]2[cH]3[cH]4[cH]5[cH]67)C)C(C)c1ccccc1)(Cl)Cl
• Title of publication: A Chiral Phosphoramidite beyond Monodentate Coordination: Secondary π-Interactions Turn a Dangling Aryl into a Two-, Four-, or Six-Electron Donor in d6and d8Complexes
• Authors of publication: Mikhel, Igor S.; Rüegger, Heinz; Butti, Pietro; Camponovo, Francesco; Huber, Dominik; Mezzetti, Antonio
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 2937
• a: 17.8778 ± 0.0011 Å
• b: 9.6153 ± 0.0006 Å
• c: 18.4977 ± 0.0011 Å
• α: 90°
• β: 107.393 ± 0.001°
• γ: 90°
• Cell volume: 3034.4 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No