Information card for entry 7013205

Structure parameters

• Formula: C57 H39 N3 O15 P2 Ru6
• Calculated formula: C57 H39 N3 O15 P2 Ru6
• SMILES: c12cccc(C)[n]2[Ru]2(C#[O])(C#[O])(C#[O])[Ru]34567(C#[O])(C#[O])N891[Ru]1%10%1123(C#[O])(C#[O])[Ru]239(C(=O)[Ru]482(C#[O])(C#[O])([Ru]513(C#[O])(C#[O])(C#[O])[H]6%11)[H]7)(C#[O])(C#[O])[H]%10.c1(ccccc1)P(c1ccccc1)(c1ccccc1)=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Hexaruthenium cluster complexes of basal edge-bridged square pyramidal metallic skeleton. First efficient synthesis and reactivity studies
• Authors of publication: Javier A. Cabeza; Ignacio del Río; Pablo García-Álvarez; Víctor Riera; Marta Suárez; Santiago García-Granda
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 14
• Pages of publication: 2808 - 2809
• a: 11.7624 ± 0.0004 Å
• b: 15.2986 ± 0.0006 Å
• c: 17.4724 ± 0.0007 Å
• α: 108.457 ± 0.002°
• β: 94.069 ± 0.003°
• γ: 96.956 ± 0.002°
• Cell volume: 2940.4 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0611
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No