Information card for entry 7011930

Structure parameters

• Formula: C14 H31 Cl4 Co N6 O3 Zn
• Calculated formula: C14 H31 Cl4 Co N6 O3 Zn
• SMILES: O.[Zn](Cl)(Cl)([Cl-])[Cl-].[Co]1234([N](CC[NH2]3)=C(C(=N1=O)C)CC)[N](=C(C(C)=[N]4O)CC)CC[NH2]2
• Title of publication: Polydentate ligand construction: preparation of oxime???imine complexes via intramolecular condensation reactions
• Authors of publication: Otter, Carl A.; Hartshorn, Richard M.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 22
• Pages of publication: 4193
• a: 13.598 ± 0.005 Å
• b: 11.705 ± 0.004 Å
• c: 15.371 ± 0.005 Å
• α: 90°
• β: 107.312 ± 0.006°
• γ: 90°
• Cell volume: 2335.7 ± 1.4 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 7
• 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: 0.0356
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No