Information card for entry 4089066

Structure parameters

• Formula: C23 H42 Cl Cr N P2
• Calculated formula: C23 H42 Cl Cr N P2
• SMILES: c12cccc3C=P(C(C)(C)C)(C(C)(C)C)[Cr]([n]23)([P](C1)(C(C)(C)C)C(C)(C)C)Cl
• Title of publication: Chromium(II) Pincer Complexes with Dearomatized PNP and PNC Ligands: A Comparative Study of Their Catalytic Ethylene Oligomerization Activity
• Authors of publication: Simler, Thomas; Braunstein, Pierre; Danopoulos, Andreas A.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 24
• Pages of publication: 4044
• a: 22.961 ± 0.003 Å
• b: 8.1876 ± 0.001 Å
• c: 14.2393 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2676.9 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1077
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No