Information card for entry 7007205

Structure parameters

• Common name: (Cd(12S4)2)(ClO4)2
• Formula: C18 H38 Cd Cl2 N2 O12 S8
• Calculated formula: C18 H38 Cd Cl2 N2 O11.98 S8
• Title of publication: Cadmium-113 NMR studies on homoleptic complexes containing thioether ligands: the crystal structures of [Cd([12]aneS4)2](ClO4)2, [Cd([18]aneS4N2)](PF6)2 and [Cd([9]aneS3)2](PF6)2.
• Authors of publication: Helm, Monte L.; Hill, Lensey L.; Lee, John P.; Van Derveer, Donald G.; Grant, Gregory J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 29
• Pages of publication: 3534 - 3543
• a: 21.323 ± 0.003 Å
• b: 8.4702 ± 0.0013 Å
• c: 21.334 ± 0.003 Å
• α: 90°
• β: 114.441 ± 0.002°
• γ: 90°
• Cell volume: 3507.8 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No