Information card for entry 7011242

Structure parameters

• Formula: C25 H15 Ga O15 Rh6
• Calculated formula: C25 H15 Ga O15 Rh6
• SMILES: [Rh]12345([Rh]6789([Rh]%10%111([Rh]1%12%132([Rh]236([Rh]7%101([C]92=O)([C]%11%13=O)(C#[O])C#[O])([C]5%12=O)(C#[O])C#[O])(C#[O])C#[O])([Ga]123548[c]4([c]1([c]2([c]3([c]54C)C)C)C)C)(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Unusual selective substitution of triply bridging carbonyl ligands for GaCp* in Rh6(CO)16. Synthesis and structural characterization of the Rh6(μ3-CO)4 −x(μ3-GaCp*)x(CO)12 clusters, x = 1‒4
• Authors of publication: Elena V. Grachova; Peter Jutzi; Beate Neumann; Lars O. Schebaum; Hans-Georg Stammler; Sergey P. Tunik
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 3
• Pages of publication: 302 - 304
• a: 12.554 ± 0.0003 Å
• b: 15.597 ± 0.0004 Å
• c: 17.11 ± 0.0005 Å
• α: 90°
• β: 98.229 ± 0.0011°
• γ: 90°
• Cell volume: 3315.72 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No