Information card for entry 7118307

Structure parameters

• Formula: C27 H38 B F N6 S4 Zn
• Calculated formula: C27 H38 B F N6 S4 Zn
• SMILES: [Zn]12([S]=c3n([BH](n4c(=[S]1)n(C(C)(C)C)cc4)n1c(=[S]2)n(cc1)C(C)(C)C)ccn3C(C)(C)C)Sc1ccc(F)cc1
• 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: 13.199 ± 0.005 Å
• b: 17.979 ± 0.006 Å
• c: 13.504 ± 0.005 Å
• α: 90°
• β: 92.785 ± 0.005°
• γ: 90°
• Cell volume: 3201 ± 2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1651
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No