Information card for entry 4068611

Structure parameters

• Formula: C51 H60 F12 N12 Ni P2
• Calculated formula: C51 H60 F12 N12 Ni P2
• SMILES: [Ni]12([n]3c4nc(cc(c4ccc3N3C=1N(C=C3)CCCC)C)C)([n]1c3nc(cc(c3ccc1N1C=2N(C=C1)CCCC)C)C)=C1N(c2nc3nc(cc(c3cc2)C)C)C=CN1CCCC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 11.8773 ± 0.0012 Å
• b: 15.6028 ± 0.0017 Å
• c: 17.647 ± 0.002 Å
• α: 86.581 ± 0.003°
• β: 75.458 ± 0.002°
• γ: 71.203 ± 0.002°
• Cell volume: 2995.9 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2682
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 0.657
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No