Information card for entry 7013194

Structure parameters

• Formula: C32 H44 Cl2 Fe2 N6 O15
• Calculated formula: C32 H40 Cl2 Fe2 N6 O15
• SMILES: [Fe]1234(O[Fe]56([O]=C(O1)C)(OC(=[O]2)C)[n]1ccccc1CC[N]6(Cc1[n]5cccc1)C)[n]1ccccc1C[N]4(C)CCc1[n]3cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=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: 13.453 ± 0.006 Å
• b: 17.69 ± 0.02 Å
• c: 18.692 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4448 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P 21 n b
• Hall space group symbol: P -2bc 2a
• Residual factor for all reflections: 0.2369
• Residual factor for significantly intense reflections: 0.101
• Weighted residual factors for significantly intense reflections: 0.2328
• Weighted residual factors for all reflections included in the refinement: 0.3235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No