Information card for entry 7032609

Structure parameters

• Formula: C37 H47 Cl4 N9 O4 Pd Ru
• Calculated formula: C37 H47 Cl4 N9 O4 Pd Ru
• SMILES: [Pd]1(Cl)(Cl)[n]2n(C(n3[n]1c(cc3C)C)c1nc(ccc1)C1n3[n]([Ru]45678(Cl)([n]9n1c(cc9C)C)[c]1([cH]6[cH]7[c]4([cH]8[cH]51)C(C)C)C)c(cc3C)C)c(C)cc2C.Cl(=O)(=O)(=O)[O-]
• Title of publication: Facile tandem Suzuki coupling/transfer hydrogenation reaction with a bis-heteroscorpionate Pd-Ru complex.
• Authors of publication: Dehury, Niranjan; Tripathy, Suman Kumar; Sahoo, Anupam; Maity, Niladri; Patra, Srikanta
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 44
• Pages of publication: 16597 - 16600
• a: 12.3219 ± 0.0015 Å
• b: 13.741 ± 0.0017 Å
• c: 14.624 ± 0.0018 Å
• α: 105.783 ± 0.003°
• β: 110.076 ± 0.003°
• γ: 106.101 ± 0.003°
• Cell volume: 2041 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No