Information card for entry 4347584

Structure parameters

• Common name: BSA-53
• Formula: C20 H40 Cl Co F6 N P3
• Calculated formula: C20 H40 Cl Co F6 N P3
• SMILES: C1=C[P](C(C)(C)C)(C(C)(C)C)[Co]2(N1C=C[P]2(C(C)(C)C)C(C)(C)C)Cl.[P](F)(F)(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: 19.1704 ± 0.0008 Å
• b: 19.1269 ± 0.0008 Å
• c: 14.7424 ± 0.0006 Å
• α: 90°
• β: 94.854 ± 0.002°
• γ: 90°
• Cell volume: 5386.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0388
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No