Information card for entry 4068622

Structure parameters

• Formula: C20 H24 Cl2 N8 Ni
• Calculated formula: C20 H24 Cl2 N8 Ni
• SMILES: [Ni]12(=C3N(C=CN3C(C)C)c3[n]1cccn3)(Cl)[n]1c(N3C=2N(C=C3)C(C)C)nccc1.[Cl-]
• Title of publication: Steric Bulkiness-Dependent Structural Diversity in Nickel(II) Complexes of N-Heterocyclic Carbenes: Synthesis and Structural Characterization of Tetra-, Penta-, and Hexacoordinate Nickel Complexes
• Authors of publication: Zhang, Xiaoming; Liu, Bin; Liu, Ailing; Xie, Weilong; Chen, Wanzhi
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 5
• Pages of publication: 1336
• a: 12.0525 ± 0.0013 Å
• b: 17.975 ± 0.002 Å
• c: 10.8381 ± 0.001 Å
• α: 90°
• β: 101.897 ± 0.002°
• γ: 90°
• Cell volume: 2297.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0989
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No