Information card for entry 7013202

Structure parameters

• Formula: C27 H8 N2 O16 Ru6
• Calculated formula: C27 H8 N2 O16 Ru6
• SMILES: c12cccc3c4c(cccc4)[Ru]45(C(=O)[Ru]6789%104(C(=O)[Ru]4%11%128(C(=O)[Ru]8%13%14%11(C(=O)[Ru]%1157%13(C#[O])(C#[O])(N1648)[Ru]9%12%14(C#[O])(C#[O])(C#[O])[H]%10%11)(C#[O])C#[O])(C#[O])C#[O])C#[O])(C#[O])(C#[O])[n]23
• 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: 10.1497 ± 0.0003 Å
• b: 10.6673 ± 0.0003 Å
• c: 30.1217 ± 0.0009 Å
• α: 90°
• β: 92.41 ± 0.002°
• γ: 90°
• Cell volume: 3258.39 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0627
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No