Information card for entry 4347588

Structure parameters

• Formula: C20 H40 Cl Co N P2
• Calculated formula: C20 H40 Cl Co N P2
• 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
• 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: 11.4745 ± 0.0004 Å
• b: 8.357 ± 0.0003 Å
• c: 13.5663 ± 0.0006 Å
• α: 90°
• β: 114.23 ± 0.003°
• γ: 90°
• Cell volume: 1186.3 ± 0.08 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No