Information card for entry 7013195

Structure parameters

• Formula: C32 H42 Cl3 Co2 N7 O16
• Calculated formula: C32 H42 Cl3 Co2 N7 O16
• SMILES: Cl(=O)(=O)(=O)[O-].C(#N)C.[Co]1234([OH][Co]56([OH]1)([O]=C(O3)C)[n]1ccccc1CC[N]6(Cc1cccc[n]51)C)[n]1c(cccc1)CC[N]4(Cc1[n]2cccc1)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Synthesis and properties of FeIII and CoIII complexes: structures of [(L2)Fe(N3)3], [(L2)2Fe2(�-O)(�-O2CMe)2][ClO4]2�2H2O and [(L2)2Co2(�-OH)2(�-O2CMe)][ClO4]3�MeCN [L2 = methyl[2-(2-pyridyl)ethyl](2-pyridylmethyl)amine]Electronic supplementary information (ESI) available: Fig. S1?S3 discussed in the text. See http://www.rsc.org/suppdata/dt/b3/b305470e/
• Authors of publication: Mukherjee, Jhumpa; Balamurugan, V.; Gupta, Rajeev; Mukherjee, Rabindranath
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 19
• Pages of publication: 3686
• a: 12.699 ± 0.002 Å
• b: 17.571 ± 0.003 Å
• c: 18.091 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4036.7 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.083
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No