Information card for entry 7011931

Structure parameters

• Formula: C8 H22 Cl4 Co N5 O2 Zn
• Calculated formula: C8 H22 Cl4 Co N5 O2 Zn
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].[Co]123(N(=O)=C(C(=[O]1)C)C)([NH2]CC[NH2]2)[NH2]CC[NH2]3
• 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: 10.006 ± 0.004 Å
• b: 10.967 ± 0.004 Å
• c: 16.506 ± 0.006 Å
• α: 90°
• β: 92.348 ± 0.005°
• γ: 90°
• Cell volume: 1809.8 ± 1.2 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: 0.0491
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No