Information card for entry 4078680

Structure parameters

• Formula: C37 H36 Cl N2 Ni P
• Calculated formula: C37 H36 Cl N2 Ni P
• SMILES: [Ni]12(N(c3ccccc3C=[N]2c2ccccc2[P]1(c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C)Cl
• 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: 9.342 ± 0.003 Å
• b: 22.935 ± 0.008 Å
• c: 30.025 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6433 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No