Information card for entry 7050715

Structure parameters

• Formula: C37 H42 Cl4 N2 O4 P2 Ru
• Calculated formula: C37 H42 Cl4 N2 O4 P2 Ru
• SMILES: [Ru]([P](c1ccccc1)(c1ccccc1)CN1CCOCC1)([P](c1ccccc1)(c1ccccc1)CN1CCOCC1)(Cl)(Cl)(C#[O])C#[O].C(Cl)Cl
• Title of publication: Hetero-binuclear complexes containing a Ru0→Mn+ bond bridged by P,N-phosphine ligands: convenient synthesis of tridentate organometallic trans-Ru(CO)3(L)2(L=phosphine bearing an N-donor substituent) ligands
• Authors of publication: Hai-Bin Song; Zheng-Zhi Zhang; Thomas C. W. Mak
• Journal of publication: New J. Chem.
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 1
• Pages of publication: 113 - 119
• a: 11.0622 ± 0.0018 Å
• b: 11.362 ± 0.002 Å
• c: 18.146 ± 0.004 Å
• α: 95.479 ± 0.017°
• β: 94.424 ± 0.017°
• γ: 113.047 ± 0.013°
• Cell volume: 2072.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1363
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No