Information card for entry 7118305

Structure parameters

• Formula: C34 H47 B N6 O2 S3 Zn
• Calculated formula: C34 H47 B N6 O2 S3 Zn
• SMILES: [Zn]123(OC=[O]1)[S]=c1n([BH](n4c(=[S]2)n(cc4)C(C)(C)C)n2c(=[S]3)n(cc2)C(C)(C)C)ccn1C(C)(C)C.c1ccccc1.c1ccccc1
• 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: 10.3568 ± 0.0008 Å
• b: 19.5721 ± 0.0015 Å
• c: 10.5278 ± 0.0011 Å
• α: 90°
• β: 119.424 ± 0.001°
• γ: 90°
• Cell volume: 1858.8 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No