Information card for entry 1556449

Structure parameters

• Formula: C41 H35 Cl2 N6 O2 P Ru
• Calculated formula: C41 H30 Cl2 N6 O1.5 P Ru
• SMILES: [Ru]12(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3)([n]3c4ncccc4ccc3c3[n]1c([c]cc3)c1[n]2c2ncccc2cc1)[N]#CC.[Cl-].O.O
• Title of publication: Facile and Selective Synthetic Approach for Ruthenium Complexes Utilizing a Molecular Sieve Effect in the Supporting Ligand
• Authors of publication: Oyama, D.; Fukuda, A.; Yamanaka, T.; Takase, T.
• Journal of publication: Inorganics
• Year of publication: 2013
• Journal volume: 1
• Pages of publication: 32 - 45
• a: 26.4297 ± 0.0005 Å
• b: 16.2228 ± 0.0003 Å
• c: 19.4965 ± 0.0004 Å
• α: 90°
• β: 114.998 ± 0.0007°
• γ: 90°
• Cell volume: 7576.3 ± 0.3 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No