Information card for entry 7041247

Structure parameters

• Formula: C35 H31 Cl3 N6 P2 Ru
• Calculated formula: C35 H31 Cl3 N6 P2 Ru
• SMILES: [Ru]12345(Cl)([P](c6ccccc6)(c6ccccc6)c6n(ncn6)Cn6ncnc6[P]1(c1ccccc1)c1ccccc1)[cH]1[cH]3[cH]5[cH]4[cH]21.ClCCl
• Title of publication: Coordination of bis(azol-1-yl)methane-based bisphosphines towards Ru(II), Rh(I), Pd(II) and Pt(II): synthesis, structural and catalytic studies.
• Authors of publication: Bhat, Sajad A.; Pandey, Madhusudan K.; Mague, Joel T.; Balakrishna, Maravanji S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 46
• Journal issue: 1
• Pages of publication: 227 - 241
• a: 9.4977 ± 0.0003 Å
• b: 18.3954 ± 0.0004 Å
• c: 19.946 ± 0.0005 Å
• α: 87.8663 ± 0.0017°
• β: 79.437 ± 0.002°
• γ: 78.663 ± 0.002°
• Cell volume: 3358.94 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0353
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No