Information card for entry 7009722

Structure parameters

• Formula: C48 H42 Cl4 Co2 N10 O18
• Calculated formula: C48 H42 Cl4 Co2 N10 O18
• SMILES: c1[n]2c(ccc1)C[NH]1[Co]32([n]2cccc4c2c2[n]3cccc2cc4)(OO[Co]234([n]5ccccc5C[NH]3Cc3cccc[n]23)[n]2cccc3c2c2[n]4cccc2cc3)[n]2ccccc2C1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=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: 21.652 ± 0.01 Å
• b: 11.32 ± 0.005 Å
• c: 12.352 ± 0.006 Å
• α: 90°
• β: 114.142 ± 0.006°
• γ: 90°
• Cell volume: 2763 ± 2 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 0.823
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No