Information card for entry 4072836

Structure parameters

• Formula: C32 H22 N2 O13 Ru6
• Calculated formula: C32 H22 N2 O13 Ru6
• SMILES: c12cccc(C)[n]2[Ru]2(C#[O])(C#[O])(C#[O])[Ru]3456(C(=O)[Ru]789%105([CH]5[c]%11%12[c]%13%14[cH]%15[cH]%16[cH]%11[Ru]%116%10%12%14%15%16(C#[O])[Ru]6%1024(C(=O)[Ru]249%11%10(C([CH]7=5)[CH]2=[CH]%134)(C#[O])N1386)(C#[O])C#[O])C#[O])(C#[O])C#[O].C1CCCO1
• Title of publication: Reactivity of Indene, Fluorene, Azulene, and Acenaphthylene with a Basal-Edge-Bridged Square-Pyramidal Hexaruthenium Dihydride
• Authors of publication: Cabeza, Javier A.; del Río, Ignacio; Fernández-Colinas, José M.; García-Álvarez, Pablo; Miguel, Daniel
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 6
• Pages of publication: 1414
• a: 37.447 ± 0.006 Å
• b: 10.154 ± 0.0016 Å
• c: 18.379 ± 0.003 Å
• α: 90°
• β: 96.543 ± 0.003°
• γ: 90°
• Cell volume: 6942.9 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No