Information card for entry 7008028

Structure parameters

• Formula: C59 H124 Cl10 O3 P6 Ru3
• Calculated formula: C59 H124 Cl10 O3 P6 Ru3
• SMILES: [Ru]123([Cl][Ru]4([Cl]1)([Cl]2)([P](CC[P]4(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)C#[O])([P](CC[P]3(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)C#[O].[Ru]1(Cl)(Cl)(Cl)([P](CC[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)C#[O].ClCCl.ClCCl
• Title of publication: Mononuclear and dinuclear complexes with a [Ru(tBu2PCH2CH2PtBu2)(CO)] core.
• Authors of publication: Goicoechea, Jose M.; Mahon, Mary F.; Whittlesey, Michael K.; Kumar, P. G. Anil; Pregosin, Paul S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 3
• Pages of publication: 588 - 597
• a: 11.293 ± 0.0003 Å
• b: 16.989 ± 0.0005 Å
• c: 40.701 ± 0.0015 Å
• α: 90°
• β: 96.158 ± 0.001°
• γ: 90°
• Cell volume: 7763.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.2107
• Residual factor for significantly intense reflections: 0.1092
• Weighted residual factors for significantly intense reflections: 0.2611
• Weighted residual factors for all reflections included in the refinement: 0.2929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No