Information card for entry 4349419

Structure parameters

• Formula: C26 H38 B Cd N7 S3 Se
• Calculated formula: C26 H38 B Cd N7 S3 Se
• SMILES: [Cd]12([Se]c3ncccc3)[S]=C3N([BH](N4C(=[S]1)N(C=C4)C(C)(C)C)N1C(=[S]2)N(C=C1)C(C)(C)C)C=CN3C(C)(C)C
• 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: 10.27 ± 0.002 Å
• b: 32.396 ± 0.007 Å
• c: 10.672 ± 0.002 Å
• α: 90°
• β: 114.875 ± 0.003°
• γ: 90°
• Cell volume: 3221.2 ± 1.1 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0445
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No