Information card for entry 4083022

Structure parameters

• Formula: C30 H72 N8 Zn4
• Calculated formula: C30 H72 N8 Zn4
• SMILES: C([Zn]123[N]4(CC[N]1(CC[N]2(CC[N]3(CC4)C)C)C)[Zn]12(CC)[H][Zn]2(CC)([H]1)[N]12CC[N]3(CC[N]4(CC[N](CC1)(C)[Zn]234CC)C)C)C
• Title of publication: Mixed Alkyl Hydrido Complexes of Zinc: Synthesis, Structure, and Reactivity
• Authors of publication: Rit, Arnab; Spaniol, Thomas P.; Maron, Laurent; Okuda, Jun
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 8
• Pages of publication: 2039
• a: 12.9266 ± 0.0015 Å
• b: 8.8077 ± 0.001 Å
• c: 16.9629 ± 0.0019 Å
• α: 90°
• β: 94.152 ± 0.003°
• γ: 90°
• Cell volume: 1926.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1045
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No