Information card for entry 7205407

Structure parameters

• Formula: C25 H28 Cu2 N4 O14 S2
• Calculated formula: C25 H28 Cu2 N4 O14 S2
• Title of publication: pH-Triggered construction of NLO active CMOFs: change in supramolecular assembly, water clusters, helical architectures and their properties
• Authors of publication: Saha, Rajat; Biswas, Susobhan; Mostafa, Golam
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 1018
• a: 17.0525 ± 0.0006 Å
• b: 8.4867 ± 0.0003 Å
• c: 22.6931 ± 0.0008 Å
• α: 90°
• β: 111.708 ± 0.002°
• γ: 90°
• Cell volume: 3051.23 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No