Information card for entry 7004604

Structure parameters

• Formula: C51 H52 Cl4 F12 N5 O3 P3 Ru Sb2
• Calculated formula: C51 H52 Cl4 F12 N5 O3 P3 Ru Sb2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)CP(c2ccccc2)(c2ccccc2)=NP(=[O][Ru]231([n]1ccccc1c1cccc[n]21)[n]1ccccc1c1cccc[n]31)(OCC)OCC.C(Cl)Cl.C(Cl)Cl.F[Sb](F)(F)(F)(F)[F-].[F-][Sb](F)(F)(F)(F)F
• Title of publication: Novel ruthenium(ii) complexes containing the N-phosphorylated iminophosphorane-phosphine ligand Ph2PCH2P{NP(O)(OEt)2}Ph2: a new coordination mode of its methanide anion
• Authors of publication: Cadierno, Victorio; Díez, Josefina; García-Álvarez, Joaquín; Gimeno, José; Rubio-García, Javier
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 42
• Pages of publication: 5737 - 5748
• a: 12.4217 ± 0.0002 Å
• b: 34.9367 ± 0.0006 Å
• c: 15.9704 ± 0.0003 Å
• α: 90°
• β: 120.276 ± 0.001°
• γ: 90°
• Cell volume: 5985.42 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• 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: 0.0551
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No