Information card for entry 7003121

Structure parameters

• Formula: C20 H36 Br Cu N4
• Calculated formula: C20 H36 Br Cu N4
• SMILES: [Br-].C([Cu](C#[N]C(C)(C)C)(C#[N]C(C)(C)C)C#[N]C(C)(C)C)#[N]C(C)(C)C
• Title of publication: Structural and spectroscopic studies of some copper(i) halide tert-butyl isocyanide adducts
• Authors of publication: Bowmaker, Graham A.; Hanna, John V.; Hahn, F. Ekkehardt; Lipton, Andrew S.; Oldham, Carolyn E.; Skelton, Brian W.; Smith, Mark E.; White, Allan H.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 13
• Pages of publication: 1710 - 1720
• a: 15.2887 ± 0.0005 Å
• b: 15.2887 ± 0.0005 Å
• c: 5.6096 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1311.21 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 119
• Hermann-Mauguin space group symbol: I -4 m 2
• Hall space group symbol: I -4 -2
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.0457
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No