Information card for entry 4065417

Structure parameters

• Common name: [(3,3-diethoxypropylbenzene)RuCl2]2
• Formula: C26 H40 Cl4 O4 Ru2
• Calculated formula: C26 H40 Cl4 O4 Ru2
• SMILES: [cH]12[cH]3[cH]4[Ru]56713([cH]2[cH]5[c]46CCC(OCC)OCC)(Cl)[Cl][Ru]12345([cH]6[cH]5[cH]4[c]3([cH]2[cH]16)CCC(OCC)OCC)(Cl)[Cl]7
• 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: 14.922 ± 0.004 Å
• b: 10.535 ± 0.003 Å
• c: 9.7 ± 0.003 Å
• α: 90°
• β: 104.268 ± 0.006°
• γ: 90°
• Cell volume: 1477.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0988
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1643
• Weighted residual factors for all reflections included in the refinement: 0.1957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No