Information card for entry 7011599

Structure parameters

• Chemical name: [(en)2Co(O2CCH=NMe)]S2O6,1.5H2O
• Formula: C7 H23 Co N5 O9.5 S2
• Calculated formula: C7 H20 Co N5 O9.482 S2
• Title of publication: Metal complex amino acid synthons: syntheses, structures and stereoselective reactions of (iminoacetato)cobalt(iii) complexes
• Authors of publication: Bendahl, Lars; Hammershøi, Anders; Jensen, Dan Kjærgaard; Larsen, Sine; Riisager, Anders; Sargeson, Alan M.; Sørensen, Henning Osholm
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 15
• Pages of publication: 3054
• a: 7.339 ± 0.0002 Å
• b: 16.354 ± 0.0003 Å
• c: 14.364 ± 0.0003 Å
• α: 90°
• β: 92.778 ± 0.0016°
• γ: 90°
• Cell volume: 1721.97 ± 0.07 ų
• Cell temperature: 122 ± 1 K
• Ambient diffraction temperature: 122 ± 1 K
• Number of distinct elements: 6
• 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: 0.0446
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No