Information card for entry 7203068

Structure parameters

• Common name: catena-(mu-cyanido-kappaC,N)(mu-isonicotinato-kappaN,O) (mu- isonicotinic acid-kappaN,O)dicopper(i)
• Chemical name: catena-(μ-cyanido-κC,N)(μ-isonicotinato-κN,O) (μ-isonicotinic acid-κN,O)dicopper(I)
• Formula: C13 H9 Cu2 N3 O4
• Calculated formula: C13 H9 Cu2 N3 O4
• Title of publication: An unusual triple parallel interpenetrated 2D Cu-polymer, with a 3D triple interpenetration via H-bonding
• Authors of publication: Amo-Ochoa, Pilar; Miguel, Pablo J. Sanz; Castillo, Oscar; Zamora, Félix
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 987
• a: 10.864 ± 0.002 Å
• b: 5.116 ± 0.001 Å
• c: 12.282 ± 0.002 Å
• α: 90°
• β: 104.53 ± 0.01°
• γ: 90°
• Cell volume: 660.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No