Information card for entry 4068619

Structure parameters

• Formula: C26 H22 F12 N10 Ni P2
• Calculated formula: C26 H22 F12 N10 Ni P2
• SMILES: [Ni]12([n]3c(CN4C=1N(C=C4)c1ncccn1)cccc3)[n]1c(CN3C=2N(C=C3)c2ncccn2)cccc1.[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: 7.5625 ± 0.0008 Å
• b: 10.6624 ± 0.0012 Å
• c: 21.579 ± 0.002 Å
• α: 94.329 ± 0.001°
• β: 96.184 ± 0.001°
• γ: 110.657 ± 0.002°
• Cell volume: 1606.6 ± 0.3 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: 0.1132
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.2126
• Weighted residual factors for all reflections included in the refinement: 0.2307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No