Information card for entry 4071152

Structure parameters

• Formula: C23 H18 Br N2 Ni P
• Calculated formula: C23 H18 Br N2 Ni P
• SMILES: [Ni]12(Br)[P](c3c([N]2=Cc2n1ccc2)cccc3)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Characterization of Pyrrole-imine [N−NP] Nickel(II) and Palladium(II) Complexes and Their Applications to Norbornene Polymerization
• Authors of publication: Han, Fu-Bin; Zhang, Yu-Liang; Sun, Xiu-Li; Li, Bao-Guo; Guo, Yang-Hui; Tang, Yong
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 8
• Pages of publication: 1924
• a: 18.8941 ± 0.0017 Å
• b: 8.8776 ± 0.0008 Å
• c: 11.9195 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1999.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0886
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.2321
• Weighted residual factors for all reflections included in the refinement: 0.2415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No