Information card for entry 7209697

Structure parameters

• Formula: C9 H7 Cd0.5 I N7
• Calculated formula: C9 H7 Cd0.5 I N7
• Title of publication: Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands
• Authors of publication: Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 13
• Pages of publication: 2490
• a: 18.3342 ± 0.0006 Å
• b: 7.6172 ± 0.0002 Å
• c: 16.7658 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2341.43 ± 0.14 ų
• Cell temperature: 116 ± 1 K
• Ambient diffraction temperature: 116 ± 1 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No