Information card for entry 7008102

Structure parameters

• Common name: s-(Co(tren-tngly)) ZnCl4 H2O
• Formula: C11 H28 Cl4 Co N5 O3 Zn
• Calculated formula: C11 H28 Cl4 Co N5 O3 Zn
• SMILES: [Co]12345OC(=O)C[NH]1CCC[NH]2CC[N]3(CC[NH2]4)CC[NH2]5.[Zn](Cl)(Cl)([Cl-])[Cl-].O
• Title of publication: Facile cobalt(III) template synthesis of novel branched hexadentate polyamine monocarboxylates.
• Authors of publication: Barfod, Rasmus; Eriksen, Jette; Golding, Bernard T.; Hammershøi, Anders; Jacobsen, Thomas Amos; Langkilde, Annette; Larsen, Sine; Mønsted, Ole; Sargeson, Alan M.; Sørensen, Henning Osholm
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 3
• Pages of publication: 491 - 500
• a: 11.625 ± 0.0005 Å
• b: 8.853 ± 0.0004 Å
• c: 20.297 ± 0.002 Å
• α: 90°
• β: 100.172 ± 0.0016°
• γ: 90°
• Cell volume: 2056.1 ± 0.2 ų
• Cell temperature: 122.4 ± 0.5 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: 0.0362
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No