Information card for entry 4301605

Structure parameters

• Chemical name: catena-[{μ4-1,2-bis(1,2,4-triazol-4-yl)ethane-κN1:κN2:κN1':κN2'}- copper(I)] perchlorate hydrate
• Formula: C6 H8 Cl Cu N6 O4.26
• Calculated formula: C6 H8 Cl Cu N6 O4.26
• 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: 11.0004 ± 0.0004 Å
• b: 18.6159 ± 0.0007 Å
• c: 7.2158 ± 0.0002 Å
• α: 90°
• β: 118.241 ± 0.002°
• γ: 90°
• Cell volume: 1301.77 ± 0.08 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No