Information card for entry 4309985

Structure parameters

• Chemical name: [{(PCP)Ru(CO)}2(mu-Cl)][BAr'4]
• Formula: C93 H124 B Cl3 F24 O2 P4 Ru2
• Calculated formula: C93 H98 B Cl3 F24 O2 P4 Ru2
• SMILES: [Ru]12([Cl][Ru]34([P](Cc5c4c(ccc5)C[P]3(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)C#[O])([P](Cc3c2c(ccc3)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)C#[O].[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.ClCCl.CCCCC.CCCCC
• Title of publication: Synthesis of the Five-Coordinate Ruthenium(II) Complexes [(PCP)Ru(CO)(L)][BAr'4] {PCP = 2,6-(CH2PtBu2)2C6H3, BAr'4= 3,5-(CF3)2C6H3, L = η1-ClCH2Cl, η1-N2, or μ-Cl-Ru(PCP)(CO)}: Reactions with Phenyldiazomethane and Phenylacetylene
• Authors of publication: Jubo Zhang; Khaldoon A. Barakat; Thomas R. Cundari; T. Brent Gunnoe; Paul D. Boyle; Jeffrey L. Petersen; Cynthia S. Day
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8379 - 8390
• a: 12.97 ± 0.004 Å
• b: 27.644 ± 0.007 Å
• c: 29.174 ± 0.008 Å
• α: 90°
• β: 96.932 ± 0.005°
• γ: 90°
• Cell volume: 10384 ± 5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2109
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 0.699
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No