Information card for entry 7031944

Structure parameters

• Formula: C48 H46 B Cd I N6 S3
• Calculated formula: C48 H46 B Cd I N6 S3
• Title of publication: Synthesis and structural characterization of tris(2-mercapto-1-methylbenzimidazolyl)hydroborato cadmium halide complexes, {[Tm(MeBenz)]Cd(μ-Cl)}2 and [Tm(MeBenz)]CdI: a rare example of cadmium in a trigonal bipyramidal sulfur-rich coordination environment.
• Authors of publication: Palmer, Joshua H.; Parkin, Gerard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 37
• Pages of publication: 13874 - 13882
• a: 12.414 ± 0.003 Å
• b: 12.87 ± 0.003 Å
• c: 15.611 ± 0.003 Å
• α: 77.113 ± 0.003°
• β: 77.354 ± 0.003°
• γ: 78.37 ± 0.003°
• Cell volume: 2341.5 ± 0.9 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No