Information card for entry 4301602

Structure parameters

• Chemical name: catena-[{μ4-1,2-Bis(1,2,4-triazol-4-yl)ethane-κN1:κN2:κN1':κN2'}- dichloro-dicopper(I)]
• Formula: C3 H4 Cl Cu N3
• Calculated formula: C3 H4 Cl Cu N3
• 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: 6.4 ± 0.0005 Å
• b: 6.5778 ± 0.0006 Å
• c: 7.0244 ± 0.0005 Å
• α: 81.555 ± 0.005°
• β: 69.126 ± 0.006°
• γ: 86.387 ± 0.006°
• Cell volume: 273.29 ± 0.04 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0527
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1605
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No