Information card for entry 4347585

Structure parameters

• Common name: BS-A114
• Formula: C21 H44 Co N O P2
• Calculated formula: C21 H44 Co N O P2
• SMILES: [Co]12([P](CCN1CC[P]2(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)C#[O]
• Title of publication: Square-Planar Cobalt(III) Pincer Complex.
• Authors of publication: Lagaditis, Paraskevi O.; Schluschaß, Bastian; Demeshko, Serhiy; Würtele, Christian; Schneider, Sven
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 4529 - 4536
• a: 12.1068 ± 0.0009 Å
• b: 14.3168 ± 0.0011 Å
• c: 14.3964 ± 0.0011 Å
• α: 90°
• β: 104.355 ± 0.002°
• γ: 90°
• Cell volume: 2417.4 ± 0.3 ų
• Cell temperature: 104 ± 2 K
• Ambient diffraction temperature: 104 ± 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: 0.0731
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No