Information card for entry 7008115

Structure parameters

• Formula: C28 H40 Cl3 N2 O P Ru
• Calculated formula: C28 H40 Cl3 N2 O P Ru
• SMILES: [Ru]12345(Cl)(Cl)([P](N[NH+](C)C)(c6ccccc6)c6ccccc6)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C)C(C)C.[Cl-].O1CCCC1
• Title of publication: Preparation and characterization of diarylphosphazene and diarylphosphinohydrazide complexes of titanium, tungsten and ruthenium and phosphorylketimido complexes of rhenium.
• Authors of publication: Cowley, Andrew R.; Dilworth, Jonathan R.; Nairn, Alison K.; Robbie, Alasdair J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 4
• Pages of publication: 680 - 693
• a: 9.5016 ± 0.0002 Å
• b: 20.4988 ± 0.0003 Å
• c: 15.5874 ± 0.0002 Å
• α: 90°
• β: 95.288 ± 0.0007°
• γ: 90°
• Cell volume: 3023.06 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• 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: 0.04
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for all reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0321
• Weighted residual factors for all reflections included in the refinement: 0.0321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No