Information card for entry 7003100

Structure parameters

• Formula: C13 H2 O14 Os4
• Calculated formula: C13 H2 O14 Os4
• SMILES: [Os]123([Os]4([H]1)([Os]12([Os]4(C#[O])(C#[O])(C#[O])(C1=O)[OH]3)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis and structure of two tetranuclear osmium carbonyl isotopomers: a crystallographic isotope effect
• Authors of publication: Canal, John P.; Jennings, Michael; Yap, Glenn P. A.; Pomeroy, Roland K.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 10
• Pages of publication: 1375 - 1382
• a: 9.2448 ± 0.0002 Å
• b: 14.2439 ± 0.0003 Å
• c: 15.2035 ± 0.0004 Å
• α: 90°
• β: 97.04 ± 0.01°
• γ: 90°
• Cell volume: 1986.93 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0597
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No