Information card for entry 7011437

Structure parameters

• Formula: C24 H40 Cl4 Co2 N8 O8 Zn
• Calculated formula: C24 H40 Cl4 Co2 N8 O8 Zn
• SMILES: C1(C)=[N]2CC[NH]3[Co]452(OC1=O)[N](=C(C(=O)O5)C)CC[NH]4CC3.Cl[Zn](Cl)([Cl-])[Cl-].C1(=O)C(C)=[N]2CC[NH]3CC[NH]4CC[N]5=C(C(=O)O[Co]2345O1)C
• 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: 10.797 ± 0.003 Å
• b: 10.797 ± 0.003 Å
• c: 30.419 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3546 ± 2 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0264
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No