Information card for entry 7003120

Structure parameters

• Formula: C10 H18 Cl Cu N2
• Calculated formula: C10 H18 Cl Cu N2
• SMILES: [Cu](Cl)(C#[N]C(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: 16.912 ± 0.007 Å
• b: 9.861 ± 0.004 Å
• c: 18.609 ± 0.006 Å
• α: 90°
• β: 116.64 ± 0.03°
• γ: 90°
• Cell volume: 2774 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.145
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.2117
• Weighted residual factors for all reflections included in the refinement: 0.2729
• 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