Information card for entry 7008097

Structure parameters

• Common name: p-(Co(tren)((MeO)2CHCH2gly))(O3SCF3)2
• Formula: C14 H30 Co F6 N5 O10 S2
• Calculated formula: C14 H30 Co F6 N5 O10 S2
• SMILES: [Co]1234([N](CC[NH2]1)(CC[NH2]2)CC[NH2]3)OC(=O)C[NH]4CC(OC)OC.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• 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: 9.349 ± 0.0001 Å
• b: 12.657 ± 0.0001 Å
• c: 21.256 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2515.23 ± 0.04 ų
• Cell temperature: 122.4 ± 0.5 K
• Ambient diffraction temperature: 122.4 ± 0.5 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.728
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No