Information card for entry 4063189

Structure parameters

• Formula: C15 H8 O5 Ru2
• Calculated formula: C15 H8 O5 Ru2
• SMILES: [Ru]123([Ru]4567([cH]8[cH]4[cH]5[c]47C1[CH]2=[CH]3C=C[c]684)(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Facile Changes in Bonding Modes of Azulene in Di- and Triruthenium Clusters upon Interaction with CO
• Authors of publication: A. J. Arce; Y. De Sanctis; E. Galarza; M. T. Garland; R. Gobetto; R. Machado; J. Manzur; A. Russo; E. Spodine; M. J. Stchedroff
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Pages of publication: 359 - 362
• a: 7.897 ± 0.002 Å
• b: 8.115 ± 0.002 Å
• c: 13.434 ± 0.003 Å
• α: 80.04 ± 0.02°
• β: 74.95 ± 0.02°
• γ: 61.56 ± 0.02°
• Cell volume: 729.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for all reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.0446
• Goodness-of-fit parameter for all reflections: 1.08
• Goodness-of-fit parameter for significantly intense reflections: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No