Information card for entry 4065418

Structure parameters

• Common name: [(3,3-diethoxypropylbenzene)RuCl2(pta)]
• Formula: C19 H32 Cl2 N3 O2 P Ru
• Calculated formula: C19 H32 Cl2 N3 O2 P Ru
• SMILES: [Ru]12345(Cl)(Cl)([P]67CN8CN(C7)CN(C6)C8)[cH]6[cH]1[cH]2[cH]3[cH]4[c]56CCC(OCC)OCC
• Title of publication: Acetal-Functionalized RAPTA Complexes for Conjugation and Labeling
• Authors of publication: Tan, Yu Qian; Dyson, Paul J.; Ang, Wee Han
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 21
• Pages of publication: 5965
• a: 13.8 ± 0.002 Å
• b: 11.815 ± 0.002 Å
• c: 26.418 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4307.4 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0502
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No