Information card for entry 4064598

Structure parameters

• Common name: NiI2(CNArDipp2)2
• Formula: C62 H74 I2 N2 Ni
• Calculated formula: C62 H74 I2 N2 Ni
• SMILES: [Ni](I)(I)(C#[N]c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)C#[N]c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Protecting-Group-Free Access to a Three-Coordinate Nickel(0) Tris-isocyanide
• Authors of publication: Emerich, Brian M.; Moore, Curtis E.; Fox, Brian J.; Rheingold, Arnold L.; Figueroa, Joshua S.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 9
• Pages of publication: 2598
• a: 23.519 ± 0.003 Å
• b: 23.567 ± 0.003 Å
• c: 21.497 ± 0.003 Å
• α: 90°
• β: 107.949 ± 0.003°
• γ: 90°
• Cell volume: 11335 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No