Information card for entry 7011039

Structure parameters

• Formula: C61 H56 Cl11 N2 P3 Ru
• Calculated formula: C61 H56 Cl11 N2 P3 Ru
• SMILES: C(c1ccccc1P(c1ccccc1)c1ccccc1)[NH]1CC[NH]2Cc3ccccc3[P](c3ccccc3)(c3ccccc3)[Ru]12(Cl)(Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Synthesis, structure and catalytic activity of ruthenium diaminodiphosphine complexes
• Authors of publication: Wai-Kwok Wong; Xiao-Ping Chen; Jian-Ping Guo; Yong-Gui Chi; Wei-Xiong Pan; Wai-Yeung Wong
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 6
• Pages of publication: 1139 - 1146
• a: 12.5904 ± 0.0013 Å
• b: 12.8333 ± 0.0013 Å
• c: 21.502 ± 0.002 Å
• α: 93.614 ± 0.002°
• β: 100.712 ± 0.002°
• γ: 104.184 ± 0.002°
• Cell volume: 3288 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0684
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No