Information card for entry 4313377

Structure parameters

• Formula: C28 H48 B2 N8 S4 Zn
• Calculated formula: C28 H48 B2 N8 S4 Zn
• SMILES: [Zn]12([S]=c7n(C(C)(C)C)ccn7[BH2]n3c(=[S]1)n(C(C)(C)C)cc3)[S]=c1n(C(C)(C)C)ccn1[BH2]n1c(=[S]2)n(C(C)(C)C)cc1
• 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: 10.031 ± 0.004 Å
• b: 10.484 ± 0.004 Å
• c: 18.559 ± 0.007 Å
• α: 83.741 ± 0.007°
• β: 78.966 ± 0.007°
• γ: 71.408 ± 0.009°
• Cell volume: 1813.3 ± 1.2 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1695
• Residual factor for significantly intense reflections: 0.0988
• Weighted residual factors for significantly intense reflections: 0.2419
• Weighted residual factors for all reflections included in the refinement: 0.2843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No