Information card for entry 7219431

Structure parameters

• Common name: Coordination polymer
• Formula: C14 H14 Cu N4 O4 S
• Calculated formula: C14 H14 Cu N4 O4 S
• Title of publication: Coordination polymers based on copper carboxylates and angular 2,5-bis(imidazol-1-yl)thiophene (thim2) ligand: sequential structural transformations
• Authors of publication: Singh, Namita; Vishnoi, Pratap; Anantharaman, Ganapathi
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 10
• Pages of publication: 2153
• a: 9.671 ± 0.002 Å
• b: 16.721 ± 0.003 Å
• c: 9.76 ± 0.002 Å
• α: 90°
• β: 94.855 ± 0.004°
• γ: 90°
• Cell volume: 1572.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0854
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No