Information card for entry 4315760

Structure parameters

• Formula: C32 H74 Cl4 N2 P4 Ru2
• Calculated formula: C32 H74 Cl4 N2 P4 Ru2
• SMILES: C1C[P](C(C)C)([Ru]23([NH]1CC[P]2(C(C)C)C(C)C)(Cl)[Cl][Ru]12([NH](CC[P]1(C(C)C)C(C)C)CC[P]2(C(C)C)C(C)C)(Cl)[Cl]3)C(C)C
• Title of publication: Ruthenium Complexes with Cooperative PNP-Pincer Amine, Amido, Imine, and Enamido Ligands: Facile Ligand Backbone Functionalization Processes
• Authors of publication: Anja Friedrich; Markus Drees; Martina Käss; Eberhardt Herdtweck; Sven Schneider
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5482 - 5494
• a: 12.4756 ± 0.0004 Å
• b: 13.7853 ± 0.0004 Å
• c: 13.0588 ± 0.0004 Å
• α: 90°
• β: 105.114 ± 0.003°
• γ: 90°
• Cell volume: 2168.16 ± 0.12 ų
• Cell temperature: 153 ± 1 K
• Ambient diffraction temperature: 153 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No