Information card for entry 2007097

Structure parameters

• Chemical name: (Isocyanato)bis(2,2'-bipyridine)copper(II) Tricyanomethanide
• Formula: C25 H16 Cu N8 O
• Calculated formula: C25 H16 Cu N8 O
• SMILES: [Cu]12([n]3c(cccc3)c3[n]1cccc3)([n]1c(cccc1)c1[n]2cccc1)N=C=O.[C-](C#N)(C#N)C#N
• Title of publication: Bis(2,2'-bipyridine-<i>N</i>,<i>N</i>')(isocyanato-<i>N</i>)copper(II) Tricyanomethanide
• Authors of publication: Potočňák, Ivan; Dunaj-Jurčo, Michal; Mikloš, Dušan; Jäger, Lothar
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 313 - 315
• a: 8.955 ± 0.004 Å
• b: 9.702 ± 0.005 Å
• c: 14.003 ± 0.005 Å
• α: 84.72 ± 0.03°
• β: 85 ± 0.03°
• γ: 68.74 ± 0.03°
• Cell volume: 1127.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.163
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections: 0.583
• Goodness-of-fit parameter for all reflections included in the refinement: 0.691
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No