Information card for entry 4068618

Structure parameters

• Formula: C33 H42 F12 N12 Ni P2
• Calculated formula: C33 H42 F12 N12 Ni P2
• SMILES: [Ni]123(=C4N(C=CN4CCCC)c4[n]1cccn4)([n]1c(N4C=2N(C=C4)CCCC)nccc1)[n]1c(N2C=3N(C=C2)CCCC)nccc1.[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: 11.216 ± 0.0011 Å
• b: 21.506 ± 0.002 Å
• c: 18.2667 ± 0.0017 Å
• α: 90°
• β: 104.389 ± 0.002°
• γ: 90°
• Cell volume: 4267.9 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.1164
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No