Information card for entry 4068612

Structure parameters

• Formula: C34 H40 F12 N8 Ni P2
• Calculated formula: C34 H40 F12 N8 Ni P2
• SMILES: C12N(C=CN1CCCC)Cc1ccc3c([n]1[Ni]1=2=C2N(C=CN2CCCC)Cc2ccc4c([n]12)nc(cc4)C)nc(cc3)C.[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: 10.9966 ± 0.0011 Å
• b: 24.219 ± 0.002 Å
• c: 15.543 ± 0.0018 Å
• α: 90°
• β: 95.253 ± 0.002°
• γ: 90°
• Cell volume: 4122.1 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No