Information card for entry 7218055

Structure parameters

• Formula: C15 H15 Cd N7 S2
• Calculated formula: C15 H15 Cd N7 S2
• Title of publication: Anion-dependent assemblies of a series of Cd(ii) coordination complexes based on an asymmetric multi-dentate ligand and inorganic SBUs: syntheses, crystal structures, and fluorescent properties
• Authors of publication: Liang, Guorui; Liu, Yaru; Zhang, Xiao; Yi, Zhihui
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 42
• Pages of publication: 9896
• a: 9.4788 ± 0.0004 Å
• b: 10.2419 ± 0.0005 Å
• c: 10.5173 ± 0.0002 Å
• α: 95.716 ± 0.003°
• β: 99.798 ± 0.003°
• γ: 109.484 ± 0.004°
• Cell volume: 934.99 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No