Information card for entry 4347589

Structure parameters

• Common name: BS-A_075
• Formula: C20 H41 B Cl Co F4 N P2
• Calculated formula: C20 H41 B Cl Co F4 N P2
• SMILES: C1=C[P](C(C)(C)C)(C(C)(C)C)[Co]2([N]1=CC[P]2(C(C)(C)C)C(C)(C)C)Cl.[B](F)(F)(F)[F-]
• 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: 13.8511 ± 0.0006 Å
• b: 13.8909 ± 0.0007 Å
• c: 16.2469 ± 0.0008 Å
• α: 113.737 ± 0.002°
• β: 109.182 ± 0.002°
• γ: 90.202 ± 0.002°
• Cell volume: 2669.1 ± 0.2 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No