Information card for entry 7118306

Structure parameters

• Formula: C41 H51 B Mo N6 O3 S3 Zn
• Calculated formula: C41 H51 B Mo N6 O3 S3 Zn
• SMILES: [Zn]12([Mo]3456([cH]7[cH]5[cH]6[cH]3[cH]47)(C#[O])(C#[O])C#[O])[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.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: 10.2866 ± 0.001 Å
• b: 12.0489 ± 0.0012 Å
• c: 19.226 ± 0.0019 Å
• α: 92.635 ± 0.001°
• β: 93.904 ± 0.001°
• γ: 114.888 ± 0.001°
• Cell volume: 2149.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No