Information card for entry 7013193

Structure parameters

• Formula: C14 H17 Fe N12
• Calculated formula: C14 H17 Fe N12
• SMILES: C1Cc2[n]([Fe]3(N=N#N)([n]4ccccc4C[N]13C)(N=N#N)N=N#N)cccc2
• 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: 8.526 ± 0.005 Å
• b: 14.119 ± 0.005 Å
• c: 15.25 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1835.8 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P c 21 n
• Hall space group symbol: P -2n -2ac
• Residual factor for all reflections: 0.0972
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No