Information card for entry 4310884

Structure parameters

• Formula: C52 H56 Co2 N4 O7
• Calculated formula: C52 H56 Co2 N4 O7
• SMILES: [Co](=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(C#[O])(C#[O])(C#[O])[Co](C#[O])(C#[O])(C#[O])=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.O1CCCC1
• Title of publication: The Synthesis and X-ray Structure of the First Cobalt Carbonyl-NHC Dimer. Implications for the Use of NHCs in Hydroformylation Catalysis
• Authors of publication: Hendrik van Rensburg; Robert P. Tooze; Douglas F. Foster; Alexandra M. Z. Slawin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2468 - 2470
• a: 10.811 ± 0.002 Å
• b: 13.08 ± 0.003 Å
• c: 18.794 ± 0.004 Å
• α: 82.83 ± 0.03°
• β: 74.96 ± 0.03°
• γ: 70.92 ± 0.03°
• Cell volume: 2423.3 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1879
• Residual factor for significantly intense reflections: 0.1251
• Weighted residual factors for significantly intense reflections: 0.3043
• Weighted residual factors for all reflections included in the refinement: 0.3673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No