Information card for entry 7009720

Structure parameters

• Formula: C26 H22 Cl2 Co N5 O10
• Calculated formula: C26 H22 Cl2 Co N5 O10
• SMILES: C1(=O)C[N]23Cc4cccc[n]4[Co]42([n]2ccccc2C3)([n]2cccc3ccc5c([n]4ccc5)c23)O1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: The photodecarboxylation of [N,N-bis(2-pyridylmethyl)amino acidato]phenanthrolinecobalt(III) complexes: ‒ formation and decomposition of metallacyclic species †
• Authors of publication: Hartshorn, Richard M.; Telfer, Shane G.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 16
• Pages of publication: 2801
• a: 11.62 ± 0.008 Å
• b: 24.487 ± 0.013 Å
• c: 10.296 ± 0.006 Å
• α: 90°
• β: 114.54 ± 0.03°
• γ: 90°
• Cell volume: 2665 ± 3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 293 ± 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: 0.056
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No