Information card for entry 7011934

Structure parameters

• Formula: C16 H40 Cl5 Co N6 O5 Zn
• Calculated formula: C16 H40 Cl5 Co N6 O5 Zn
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].[Co]1234([N](=C(C(=[N]2O)C)C)CC([NH2]1)(C)C)[NH2]C(C[N]3=C(C(=[N]4O)C)C)(C)C.[Cl-].O.O.O
• 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: 10.144 ± 0.003 Å
• b: 10.782 ± 0.003 Å
• c: 14.234 ± 0.004 Å
• α: 106.538 ± 0.004°
• β: 93.305 ± 0.005°
• γ: 96.088 ± 0.004°
• Cell volume: 1477.7 ± 0.7 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No