Information card for entry 7712469

Structure parameters

• Formula: C56 H54 N8 Zn3
• Calculated formula: C56 H54 N8 Zn3
• SMILES: C(C)[Zn]12[N](=C[N]3(c4ccccc4)[Zn]4(CC)[N](=C[N]1(c1ccccc1)[Zn]3(N(C=[N]2c1ccccc1)c1ccccc1)N(C=[N]4c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Factors controlling the structure of alkylzinc amidinates: on the role of N-substituents
• Authors of publication: Terlecki, Michał; Justyniak, Iwona; Leszczyński, Michał K.; Bernatowicz, Piotr; Lewiński, Janusz
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2712 - 2721
• a: 11.73 ± 0.0002 Å
• b: 13.406 ± 0.0003 Å
• c: 31.694 ± 0.0007 Å
• α: 90°
• β: 100.505 ± 0.001°
• γ: 90°
• Cell volume: 4900.42 ± 0.18 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: 0.0789
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No