Information card for entry 4304397

Structure parameters

• Formula: C76 H80 Cl14 F6 N8 O6 P4 Ru2 S2
• Calculated formula: C76 H80 Cl14 F6 N8 O6 P4 Ru2 S2
• SMILES: C(F)(F)(F)S(=O)(=O)[O-].C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.[P]1([Ru]23([Cl][Ru]45([P](CCn6ccc[n]46)(c4ccccc4)c4ccccc4)([P](CCn4ccc[n]54)(c4ccccc4)c4ccccc4)[Cl]3)([n]3cccn3CC[P]2(c2ccccc2)c2ccccc2)[n]2cccn2CC1)(c1ccccc1)c1ccccc1.C(F)(F)(F)S(=O)(=O)[O-].C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Ru and Os Complexes Containing a P,N-Donor Heterotopic Ligand: The Effect of Solvent on Stereochemistry
• Authors of publication: Dabb, Serin L.; Messerle, Barbara A.; Smith, Matthew K.; Willis, Anthony C.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Journal issue: 8
• Pages of publication: 3034 - 3044
• a: 33.779 ± 0.007 Å
• b: 12.67 ± 0.003 Å
• c: 26.597 ± 0.005 Å
• α: 90°
• β: 126.83 ± 0.03°
• γ: 90°
• Cell volume: 9111 ± 5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No