Information card for entry 7027591

Structure parameters

• Chemical name: trans(N)-bis(alaninato)(2,2'-bipyridine)cobalt(III) perchlorate monohydrate
• Formula: C16 H22 Cl Co N4 O9
• Calculated formula: C16 H22 Cl Co N4 O9
• SMILES: [Co]123([NH2][C@@H](C)C(=O)O1)([NH2][C@H](C(=O)O2)C)[n]1ccccc1c1[n]3cccc1.Cl(=O)(=O)(=O)[O-].O.[Co]123([NH2][C@H](C)C(=O)O1)([NH2][C@@H](C(=O)O2)C)[n]1ccccc1c1[n]3cccc1.Cl(=O)(=O)(=O)[O-].O
• Title of publication: Formation of trans(N)-bis(amino acidato)(2,2′-bipyridine)cobalt(III) complexes following the UV irradiation of amino acidatobis(2,2′bipyridine)cobalt(III) complexes in dimethyl sulfoxide
• Authors of publication: Hartshorn, Richard M.; Telfer, Shane G.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 18
• Pages of publication: 3217
• a: 10.556 ± 0.007 Å
• b: 10.345 ± 0.007 Å
• c: 18.62 ± 0.03 Å
• α: 90°
• β: 99.06 ± 0.08°
• γ: 90°
• Cell volume: 2008 ± 4 ų
• Cell temperature: 144 ± 2 K
• Ambient diffraction temperature: 144 ± 2 K
• Number of distinct elements: 6
• 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: 0.1134
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No