Information card for entry 4078678

Structure parameters

• Formula: C31 H32 N2 S
• Calculated formula: C31 H32 N2 S
• SMILES: S(c1c(/N=C/c2c(Nc3c(cccc3C(C)C)C(C)C)cccc2)cccc1)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: 17.59 ± 0.002 Å
• b: 8.4278 ± 0.0011 Å
• c: 18.031 ± 0.002 Å
• α: 90°
• β: 92.592 ± 0.002°
• γ: 90°
• Cell volume: 2670.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1152
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1873
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No