Information card for entry 7029772

Structure parameters

• Formula: C18 H18 Cu N2 O6 S
• Calculated formula: C18 H14 Cu N2 O6 S
• Title of publication: A copper based pillared-bilayer metal organic framework: its synthesis, sorption properties and catalytic performance.
• Authors of publication: Parshamoni, Srinivasulu; Sanda, Suresh; Jena, Himanshu Sekhar; Konar, Sanjit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 19
• Pages of publication: 7191 - 7199
• a: 10.0921 ± 0.0003 Å
• b: 10.4958 ± 0.0003 Å
• c: 10.8431 ± 0.0003 Å
• α: 86.403 ± 0.002°
• β: 79.041 ± 0.002°
• γ: 81.993 ± 0.002°
• Cell volume: 1115.84 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.2273
• Weighted residual factors for all reflections included in the refinement: 0.2467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No