Information card for entry 7200678

Structure parameters

• Formula: C40 H40 Cl2 Cu N8 O6
• Calculated formula: C40 H40 Cl2 Cu N8 O6
• Title of publication: An unprecedented all helical 3D network and a rarely observed non-interpenetrated octahedral network in homochiral Cu(II) MOFs: effect of steric bulk and π‒π stacking interactions of the ligand backbone
• Authors of publication: Banerjee, Subhabrata; Adarsh, N. N.; Dastidar, Parthasarathi
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 746
• a: 12.9207 ± 0.0003 Å
• b: 12.9207 ± 0.0003 Å
• c: 19.932 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2881.73 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No