Information card for entry 7011933

Structure parameters

• Formula: C12 H28 Cl5 Co N6 O3 Zn
• Calculated formula: C12 H28 Cl5 Co N6 O3 Zn
• SMILES: [Co]1234([N](O)=C(C(=[N]1CC[NH2]2)C)C)[N](O)=C(C(=[N]3CC[NH2]4)C)C.O.[Zn](Cl)(Cl)([Cl-])[Cl-].[Cl-]
• 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: 8.229 ± 0.002 Å
• b: 20.348 ± 0.006 Å
• c: 14.258 ± 0.004 Å
• α: 90°
• β: 99.293 ± 0.004°
• γ: 90°
• Cell volume: 2356.1 ± 1.1 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 7
• 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: 0.0849
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.1963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No