Information card for entry 4134382

Structure parameters

• Formula: C47 H51 Ge I N4
• Calculated formula: C47 H51 Ge I N4
• SMILES: [Ge]1(I)[N](=C(N2C1(N(/C(=N/c1c(cccc1C(C)C)C(C)C)c1ccccc1)C=C2)c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C
• Title of publication: Ge(0) Compound Stabilized by a Diimino-Carbene Ligand: Synthesis and Ambiphilic Reactivity.
• Authors of publication: Nguyen, Minh Tho; Gusev, Dmitry; Dmitrienko, Anton; Gabidullin, Bulat M.; Spasyuk, Denis; Pilkington, Melanie; Nikonov, Georgii I.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 12
• Pages of publication: 5852 - 5861
• a: 11.1696 ± 0.0006 Å
• b: 18.5499 ± 0.001 Å
• c: 22.1637 ± 0.0011 Å
• α: 75.451 ± 0.002°
• β: 77.193 ± 0.002°
• γ: 74.606 ± 0.003°
• Cell volume: 4226 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.02 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No