Information card for entry 4349420

Structure parameters

• Formula: C27 H38 B Cd F N6 S4
• Calculated formula: C27 H38 B Cd F N6 S4
• SMILES: [Cd]12([S]=C3N([BH](N4C(=[S]2)N(C=C4)C(C)(C)C)N2C(=[S]1)N(C=C2)C(C)(C)C)C=CN3C(C)(C)C)Sc1ccc(F)cc1
• Title of publication: Tris(2-mercaptoimidazolyl)hydroborato Cadmium Thiolate Complexes, [Tm^{Bu^t}]CdSAr: Thiolate Exchange at Cadmium in a Sulfur-Rich Coordination Environment.
• Authors of publication: Kreider-Mueller, Ava; Quinlivan, Patrick J.; Owen, Jonathan S.; Parkin, Gerard
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 4644 - 4654
• a: 10.2278 ± 0.0011 Å
• b: 33.45 ± 0.004 Å
• c: 10.4301 ± 0.0012 Å
• α: 90°
• β: 114.637 ± 0.002°
• γ: 90°
• Cell volume: 3243.5 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.075
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No