Information card for entry 7007207

Structure parameters

• Common name: (Cd(18S4N2))(PF6)2
• Formula: C12.5 H25.5 Cd F12 N2.5 O P2 S4
• Calculated formula: C12.5 H24 Cd F12 N2.5 O P2 S4
• 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: 22.635 ± 0.004 Å
• b: 10.0366 ± 0.0017 Å
• c: 23.85 ± 0.004 Å
• α: 90°
• β: 111.377 ± 0.003°
• γ: 90°
• Cell volume: 5045.4 ± 1.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No