Information card for entry 7118465

Structure parameters

• Formula: C104 H100 Cd2 N8 O13.63 V2
• Calculated formula: C104 H100 Cd2 N8 O13.6285 V2
• Title of publication: A homochiral vanadium-salen based cadmium bpdc MOF with permanent porosity as an asymmetric catalyst in solvent-free cyanosilylation.
• Authors of publication: Bhunia, Asamanjoy; Dey, Subarna; Moreno, José María; Diaz, Urbano; Concepcion, Patricia; Van Hecke, Kristof; Janiak, Christoph; Van Der Voort, Pascal
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1401 - 1404
• a: 17.046 ± 0.0005 Å
• b: 24.0462 ± 0.0006 Å
• c: 28.8442 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11823 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 17
• Hermann-Mauguin space group symbol: P 2 2 21
• Hall space group symbol: P 2c 2
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No