Information card for entry 7011434

Structure parameters

• Formula: C11 H24 Cl4 Co N5 O2 Zn
• Calculated formula: C11 H24 Cl4 Co N5 O2 Zn
• SMILES: [Co]12345OC(=O)C(=[N]1CC[NH]2CC[NH]4CC[NH]3CC[NH2]5)C.[Zn](Cl)(Cl)([Cl-])[Cl-]
• Title of publication: Polydentate ligand construction: intramolecular condensation reactions in the synthesis of imine-containing ligands
• Authors of publication: Browne, Julian M. W.; Wikaira, Jan; Fitchett, Christopher M.; Hartshorn, Richard M.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 10
• Pages of publication: 2227
• a: 8.927 ± 0.003 Å
• b: 15.035 ± 0.005 Å
• c: 14.714 ± 0.005 Å
• α: 90°
• β: 104.915 ± 0.004°
• γ: 90°
• Cell volume: 1908.3 ± 1.1 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 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: 0.0281
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No