Information card for entry 4347587

Structure parameters

• Common name: pvlb1-167
• Formula: C20 H44 Cl Co N P2
• Calculated formula: C20 H44 Cl Co N P2
• SMILES: C1C[P]([Co]2(Cl)N1CC[P]2(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
• 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: 12.1821 ± 0.0006 Å
• b: 14.182 ± 0.0006 Å
• c: 14.4863 ± 0.0007 Å
• α: 90°
• β: 104.471 ± 0.002°
• γ: 90°
• Cell volume: 2423.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0699
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No