Information card for entry 7024210

Structure parameters

• Formula: C41 H37 Br2 Cl2 N2 Ni P
• Calculated formula: C41 H37 Br2 Cl2 N2 Ni P
• SMILES: c12ccccc1C(c1ccccc1)=[N](c1c(C)cc(C)cc1C)[Ni]([N]2=P(c1ccccc1)(c1ccccc1)c1ccccc1)(Br)Br.C(Cl)Cl
• Title of publication: Electron rich bidentate phosphinimine-imine ligands: synthesis and reactivity of late transition metal complexes.
• Authors of publication: Wallis, Christopher J.; Kraft, Ira L.; Patrick, Brian O.; Mehrkhodavandi, Parisa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 2
• Pages of publication: 541 - 547
• a: 21.2062 ± 0.0012 Å
• b: 13.2498 ± 0.0007 Å
• c: 13.7667 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3868.1 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0436
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No