Information card for entry 7011438

Structure parameters

• Formula: C20 H36 Cl4 Co2 N8 O10 Zn
• Calculated formula: C20 H36 Cl4 Co2 N8 O10 Zn
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].[Co]1234(OC(=O)C(=[N]1CC[NH2]3)C)OC(=O)C(=[N]4CC[NH2]2)C.[Co]1234(OC(=O)C(=[N]2CC[NH2]3)C)[NH2]CC[N]4=C(C(=O)O1)C.O.O
• 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: 12.501 ± 0.003 Å
• b: 19.753 ± 0.004 Å
• c: 14.227 ± 0.003 Å
• α: 90°
• β: 111.397 ± 0.007°
• γ: 90°
• Cell volume: 3271 ± 1.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0928
• 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