Information card for entry 4035009

Structure parameters

• Formula: C47 H52 Co2 O4 P2 Si2
• Calculated formula: C47 H52 Co2 O4 P2 Si2
• SMILES: C(#[O])[Co]123(C#[O])[C]4(C#C[Si](C)(C)C)=[C]1(C#C[Si](C(C)C)(C(C)C)C(C)C)[Co]24(C#[O])(C#[O])[P](c1ccccc1)(c1ccccc1)C[P]3(c1ccccc1)c1ccccc1
• Title of publication: Synthesis of Polyynes Using Dicobalt Masking Groups.
• Authors of publication: Kohn, Daniel R.; Gawel, Przemyslaw; Xiong, Yaoyao; Christensen, Kirsten E.; Anderson, Harry L.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 4
• Pages of publication: 2077 - 2086
• a: 14.1381 ± 0.0001 Å
• b: 15.8779 ± 0.0001 Å
• c: 20.5634 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4616.14 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for all reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No