Information card for entry 7011435

Structure parameters

• Formula: C11 H26 Cl4 Co N5 O3 Zn
• Calculated formula: C11 H26 Cl4 Co N5 O3 Zn
• SMILES: [Co]12345OC(=O)C(=[N]1CC[NH]2CC[N]3(CC[NH2]4)CC[NH2]5)C.[Zn](Cl)(Cl)([Cl-])[Cl-].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: 7.933 ± 0.003 Å
• b: 22.849 ± 0.01 Å
• c: 11.323 ± 0.005 Å
• α: 90°
• β: 90.984 ± 0.007°
• γ: 90°
• Cell volume: 2052.1 ± 1.5 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: 0.0522
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No