Information card for entry 4313378

Structure parameters

• Formula: C28 H48 B2 Cd N8 S4
• Calculated formula: C28 H48 B2 Cd N8 S4
• SMILES: [Cd]12([S]=c5n(ccn5[BH2]n5c(=[S]1)n(cc5)C(C)(C)C)C(C)(C)C)[S]=c1n(ccn1[BH2]n1c(=[S]2)n(cc1)C(C)(C)C)C(C)(C)C
• Title of publication: Homoleptic Group 12 Metal Bis(mercaptoimidazolyl)borate Complexes M(BmR)2(M = Zn, Cd, Hg)
• Authors of publication: Hamsell M. Alvarez; Thuy B. Tran; Mary A. Richter; Dania M. Alyounes; Daniel Rabinovich; Joseph M. Tanski; Mariusz Krawiec
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2149 - 2156
• a: 10.5846 ± 0.0006 Å
• b: 36.021 ± 0.002 Å
• c: 10.3516 ± 0.0006 Å
• α: 90°
• β: 110.799 ± 0.001°
• γ: 90°
• Cell volume: 3689.5 ± 0.4 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 6
• 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: 0.0638
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No