Information card for entry 7005321

Structure parameters

• Formula: C52 H30 Cl8 O14 P2 Ru2
• Calculated formula: C52 H30 Cl8 O14 P2 Ru2
• SMILES: c1(ccccc1)O[P](Oc1ccccc1)(Oc1ccccc1)[Ru]12(C#[O])(C#[O])[O]3c4c(c(c(c(c4Cl)Cl)Cl)Cl)O[Ru]3(C#[O])(C#[O])([O]2c2c(c(c(c(c2Cl)Cl)Cl)Cl)O1)[P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
• Title of publication: Homobinuclear cyanide-bridged linkage isomers containing the redox-active unit [(micro-XY)Ru(CO)2L(o-O2C6Cl4)] (XY=CN or NC).
• Authors of publication: Adams, Christopher J.; Charmant, Jonathan P. H.; Connelly, Neil G.; Gill, Martin; Kantacha, Anob; Onganusorn, Sriwipha; Orpen, A. Guy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 22
• Pages of publication: 2283 - 2294
• a: 10.627 ± 0.002 Å
• b: 13.614 ± 0.003 Å
• c: 19.419 ± 0.004 Å
• α: 92.28 ± 0.03°
• β: 90.11 ± 0.03°
• γ: 106.27 ± 0.03°
• Cell volume: 2694.6 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No