Information card for entry 4083023

Structure parameters

• Formula: C46 H60 N4 Zn2
• Calculated formula: C46 H60 N4 Zn2
• SMILES: [Zn]12([Zn]([H]1)([H]2)(=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)CC)(=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)CC
• 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: 24.9574 ± 0.0015 Å
• b: 24.9574 ± 0.0015 Å
• c: 13.8473 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8625.1 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No