Information card for entry 7007634

Structure parameters

• Formula: C42 H68 B2 Cd N12 S6
• Calculated formula: C42 H68 B2 Cd N12 S6
• SMILES: [Cd]12([S]=C3N(C(C)(C)C)C=CN3[BH](N3C(=[S]1)N(C=C3)C(C)(C)C)N1C(=S)N(C=C1)C(C)(C)C)[S]=C1N([BH](N3C(=[S]2)N(C=C3)C(C)(C)C)N2C(=S)N(C=C2)C(C)(C)C)C=CN1C(C)(C)C
• Title of publication: Methyl and arylchalcogenolate complexes of cadmium in a sulfur rich coordination environment: syntheses and structural characterization of the tris(2-mercapto-1-tert-butylimidazolyl)hydroborato cadmium complexes [Tm(Bu(t))]CdMe, and [Tm(Bu(t))]CdEAr (E = O, S, Se, Te) and analysis of the bonding in chalcogenolate compounds.
• Authors of publication: Melnick, Jonathan G.; Parkin, Gerard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 35
• Pages of publication: 4207 - 4210
• a: 19.714 ± 0.0008 Å
• b: 19.714 ± 0.0008 Å
• c: 30.131 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11710.2 ± 0.9 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1937
• Weighted residual factors for all reflections included in the refinement: 0.2122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No