Information card for entry 7040079

Structure parameters

• Formula: C34 H46 N3 Zn
• Calculated formula: C34 H46 N3 Zn
• SMILES: [Zn]12([n]3c(C(=[N]1c1c(cccc1C(C)C)C(C)C)C)cccc3C(=[N]2c1c(cccc1C(C)C)C(C)C)C)C
• Title of publication: Unique molecular geometries of reduced 4- and 5-coordinate zinc complexes stabilised by diiminopyridine ligand.
• Authors of publication: Chu, Terry; Belding, Lee; Poddutoori, Prashanth K.; van der Est, Art; Dudding, Travis; Korobkov, Ilia; Nikonov, Georgii I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 34
• Pages of publication: 13440 - 13448
• a: 14.328 ± 0.002 Å
• b: 8.7698 ± 0.0013 Å
• c: 25.005 ± 0.004 Å
• α: 90°
• β: 93.489 ± 0.007°
• γ: 90°
• Cell volume: 3136.1 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1723
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No