Information card for entry 4347591

Structure parameters

• Common name: BS-A-074
• Formula: C20 H45 B Cl Co F4 N P2
• Calculated formula: C20 H45 B Cl Co F4 N P2
• SMILES: C1C[P](C(C)(C)C)(C(C)(C)C)[Co]2([NH]1CC[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: 29.0335 ± 0.0009 Å
• b: 14.0241 ± 0.0004 Å
• c: 14.3063 ± 0.0005 Å
• α: 90°
• β: 112.5 ± 0.002°
• γ: 90°
• Cell volume: 5381.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No