Information card for entry 7008029

Structure parameters

• Formula: C48 H95 Cl4 N5 O2 P4 Ru2
• Calculated formula: C48 H95 Cl4 N5 O2 P4 Ru2
• SMILES: [Ru]1(Cl)(Cl)([P](CC[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)([N]#CC)C#[O].N#CC.N#CC
• 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: 15.649 ± 0.0001 Å
• b: 21.677 ± 0.0002 Å
• c: 35.15 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11923.7 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1242
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No