Information card for entry 7116493

Structure parameters

• Formula: C54 H65 N5 O10 Os3 P2
• Calculated formula: C54 H65 N5 O10 Os3 P2
• SMILES: c12[n](ccn1c1c(cccc1)OC)[Os]13(C#[O])(C#[O])[n]4c(n(cc4)c4c(cccc4)OC)[Os](C#[O])(C#[O])(C#[O])([Os]1(C#[O])(C#[O])(C#[O])[P]2(C1CCCCC1)C1CCCCC1)[P]3(C1CCCCC1)C1CCCCC1.C(#N)C
• Title of publication: Highly regioselective osmium-catalyzed hydroformylation
• Authors of publication: Lipeng Wu; Qiang Liu; Anke Spannenberg; alf Jackstell; Matthias Beller
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 3080
• a: 12.4416 ± 0.0009 Å
• b: 15.7773 ± 0.0011 Å
• c: 28.046 ± 0.002 Å
• α: 90°
• β: 102.532 ± 0.002°
• γ: 90°
• Cell volume: 5374.1 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0265
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0408
• Weighted residual factors for all reflections included in the refinement: 0.043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No