Information card for entry 7118303

Structure parameters

• Formula: C24 H38 B N6 S3 Zn
• Calculated formula: C24 H38 B N6 S3 Zn
• SMILES: c1ccccc1.[BH]12N3C(N(C=C3)C(C)(C)C)=[S][ZnH]([S]=C3N1C=CN3C(C)(C)C)[S]=C1N2C=CN1C(C)(C)C
• Title of publication: Synthesis, structure and reactivity of [Tm(Bu(t))]ZnH, a monomeric terminal zinc hydride compound in a sulfur-rich coordination environment: access to a heterobimetallic compound.
• Authors of publication: Kreider-Mueller, Ava; Quinlivan, Patrick J.; Rauch, Michael; Owen, Jonathan S.; Parkin, Gerard
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2358 - 2361
• a: 13.3984 ± 0.0011 Å
• b: 13.3984 ± 0.0011 Å
• c: 27.542 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4281.9 ± 0.6 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No