Information card for entry 7003010

Structure parameters

• Formula: C50 H70 N2 O2 P2 Ru2
• Calculated formula: C50 H70 N2 O2 P2 Ru2
• SMILES: [Ru]12345([N]#[N][Ru]6789%10([P](C%11=C(O6)Cc6c%11cccc6)(C(C)C)C(C)C)[c]6([c]%10([c]9([c]8([c]76C)C)C)C)C)([P](C6=C(O1)Cc1c6cccc1)(C(C)C)C(C)C)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C
• Title of publication: Exploring the reactivity of a coordinatively unsaturated Cp*Ru(kappa(2)-P,O) complex with small molecule substrates: application in E-H bond activation (E = H, B, and Si).
• Authors of publication: Rankin, Matthew A; Hesp, Kevin D; Schatte, Gabriele; McDonald, Robert; Stradiotto, Mark
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2009
• Journal issue: 24
• Pages of publication: 4756 - 4765
• a: 17.4049 ± 0.0011 Å
• b: 13.5276 ± 0.0008 Å
• c: 23.149 ± 0.0019 Å
• α: 90°
• β: 118.873 ± 0.003°
• γ: 90°
• Cell volume: 4772.8 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1098
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No