Information card for entry 4069763

Structure parameters

• Formula: C18 H27 Br2 N3 Ni
• Calculated formula: C18 H27 Br2 N3 Ni
• SMILES: [Ni]1(Br)(Br)[NH](C(C)(C)C)CCN2C=1N(C=C2)c1c(cc(cc1C)C)C
• Title of publication: Kinetic and Thermodynamic Study ofSyn−AntiIsomerization of Nickel Complexes Bearing Amino-Linked N-Heterocyclic Carbene Ligands: The Effect of the Pendant Arm of the NHC
• Authors of publication: Huang, Yi-Ping; Tsai, Chung-Chih; Shih, Wei-Chih; Chang, Yu-Chang; Lin, Shen-Ta; Yap, Glenn P. A.; Chao, Ito; Ong, Tiow-Gan
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 4316
• a: 14.469 ± 0.003 Å
• b: 10.019 ± 0.002 Å
• c: 14.071 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2039.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No