Information card for entry 4301598

Structure parameters

• Chemical name: catena-[{μ4-1,2-bis(1,2,4-triazol-4-yl)ethane-κN1:κN2:κN1':κN2'}- di-μ2-cyano-κN:κC-dicopper(I)]
• Formula: C4 H4 Cu N4
• Calculated formula: C4 H4 Cu N4
• Title of publication: Crystal Structure Solid-State Cross Polarization Magic Angle Spinning 13C NMR Correlation in Luminescent d10 Metal-Organic Frameworks Constructed with the 1,2-Bis(1,2,4-triazol-4-yl)ethane Ligand
• Authors of publication: Hesham A. Habib; Anke Hoffmann; Henning A. Höppe; Gunther Steinfeld; Christoph Janiak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2166 - 2180
• a: 6.1253 ± 0.0003 Å
• b: 12.9739 ± 0.0009 Å
• c: 7.6245 ± 0.0005 Å
• α: 90°
• β: 103.989 ± 0.002°
• γ: 90°
• Cell volume: 587.94 ± 0.06 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• 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: 0.0331
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No