Information card for entry 4078677

Structure parameters

• Formula: C37 H37 N2 P
• Calculated formula: C37 H37 N2 P
• SMILES: P(c1c(/N=C/c2c(Nc3c(cccc3C(C)C)C(C)C)cccc2)cccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Characterization of Nickel(II) and Palladium(II) Complexes based on Tridentate [N‒NP] and [N‒NS] Ligands and Their Applications in Norbornene Polymerization
• Authors of publication: Shi, Xiao-Chao; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 13
• Pages of publication: 4748
• a: 8.415 ± 0.003 Å
• b: 9.746 ± 0.003 Å
• c: 19.733 ± 0.007 Å
• α: 81.192 ± 0.004°
• β: 80.322 ± 0.004°
• γ: 71.961 ± 0.004°
• Cell volume: 1508.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No