Information card for entry 2005524

Structure parameters

• Chemical name: (3-amidyl-3-metoxy-2-nitroso-acrylonitrile)-bipyridine- dicyanamidecopper(II)
• Formula: C16 H12 Cu N8 O2
• Calculated formula: C16 H12 Cu N8 O2
• SMILES: [Cu]12([n]3ccccc3c3[n]1cccc3)(N(=O)=C(C(OC)=[NH]2)C#N)N=C=NC#N
• Title of publication: Addition of Methanol to Copper(II)-Coordinated Dicyanonitrosomethanide: (3-Amino-3-methoxy-2-nitrosoacrylonitrilato-<i>N</i>^2^,<i>N</i>^3^)(bipyridine-<i>N</i>,<i>N</i>')(dicyanamido-<i>N</i>)copper(II)
• Authors of publication: Dunaj-Jurčo, M.; Mikloš, D.; Potočňák, I.; Jäger, L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 10
• Pages of publication: 2409 - 2412
• a: 9.18 ± 0.0009 Å
• b: 7.344 ± 0.0007 Å
• c: 25.385 ± 0.003 Å
• α: 90 ± 0.02°
• β: 91.22 ± 0.02°
• γ: 90 ± 0.02°
• Cell volume: 1711 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1176
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections: 0.1078
• Weighted residual factors for significantly intense reflections: 0.0905
• Goodness-of-fit parameter for all reflections: 0.929
• Goodness-of-fit parameter for significantly intense reflections: 1.106
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No