Information card for entry 4301607

Structure parameters

• Chemical name: catena-[(μ4-1,2-Bis(1,2,4-triazol-4-yl)ethane-κN1:κN2:κN1':κN2')- (μ2-1,2-bis(1,2,4-triazol-4-yl)ethane-κN1:κN2)cadmium(II)] diperchlorate
• Formula: C12 H16 Cd Cl2 N12 O8
• Calculated formula: C12 H16 Cd Cl2 N12 O8
• 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: 8.2335 ± 0.0001 Å
• b: 17.8751 ± 0.0004 Å
• c: 14.2061 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2090.78 ± 0.07 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No