Information card for entry 4342644

Structure parameters

• Formula: C38 H51 Cl2 N3 Ni
• Calculated formula: C38 H51 Cl2 N3 Ni
• SMILES: [Ni](Cl)(Cl)(=C1N(c2c(cccc2C(C)C)C(C)C)C=CN1c1c(cccc1C(C)C)C(C)C)C#[N]C12CC3CC(CC(C3)C1)C2
• Title of publication: Synthesis and Reactivity of NHC-Supported Ni2(μ(2)-η(2),η(2)-S2)-Bridging Disulfide and Ni2(μ-S)2-Bridging Sulfide Complexes.
• Authors of publication: Olechnowicz, Frank; Hillhouse, Gregory L.; Jordan, Richard F.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 2705 - 2712
• a: 12.4795 ± 0.0005 Å
• b: 18.3976 ± 0.0007 Å
• c: 16.8933 ± 0.0006 Å
• α: 90°
• β: 93.9125 ± 0.0012°
• γ: 90°
• Cell volume: 3869.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.051
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No