Information card for entry 7040081

Structure parameters

• Formula: C33 H43 Cl N3 Zn
• Calculated formula: C33 H43 Cl N3 Zn
• SMILES: [Zn]12(Cl)[n]3c(C(=[N]1c1c(cccc1C(C)C)C(C)C)C)cccc3C(=[N]2c1c(cccc1C(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: 8.6852 ± 0.0002 Å
• b: 13.9641 ± 0.0004 Å
• c: 25.8243 ± 0.0007 Å
• α: 90°
• β: 92.0765 ± 0.0012°
• γ: 90°
• Cell volume: 3129.94 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0671
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No