Information card for entry 7027502

Structure parameters

• Common name: [Cu(pyrazine)(NCO)]n
• Formula: C5 H4 Cu N3 O
• Calculated formula: C5 H4 Cu N3 O
• Title of publication: The first copper(I) complex containing a cyanato ligand. Synthesis and structural characterization of [Cu(pyz)(μ-NCO)]n (pyz = pyrazine)
• Authors of publication: Goher, Mohamed A. S.; Mautner, Franz A.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 12
• Pages of publication: 1923
• a: 5.904 ± 0.002 Å
• b: 11.593 ± 0.003 Å
• c: 9.038 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 618.6 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for all reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.0617
• Goodness-of-fit parameter for all reflections: 1.095
• Goodness-of-fit parameter for significantly intense reflections: 1.087
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No