Information card for entry 7000669

Structure parameters

• Formula: C22 H26 I2 N2 Ni S2
• Calculated formula: C22 H26 I2 N2 Ni S2
• SMILES: C1(N(c2ccccc2S1)CC(C)C)=[Ni](I)(=C1N(c2ccccc2S1)CC(C)C)I
• Title of publication: Formation and crystallographic elucidation of stable [4 + 2]-coordinate nickel(ii) N,S-heterocyclic carbene (NSHC) complexes
• Authors of publication: Ding, Nini; Zhang, Jun; Hor, T. S. Andy
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 10
• Pages of publication: 1853 - 1858
• a: 17.3549 ± 0.0015 Å
• b: 9.921 ± 0.0009 Å
• c: 14.9512 ± 0.0012 Å
• α: 90°
• β: 93.931 ± 0.002°
• γ: 90°
• Cell volume: 2568.2 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.082
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.2037
• Weighted residual factors for all reflections included in the refinement: 0.2055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.264
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No