Information card for entry 4307153

Structure parameters

• Formula: C70 H58 Cl Co F8 Fe N8 O7
• Calculated formula: C62 H38 Cl Co F8 Fe N8 O5
• SMILES: [Co]123(O[Fe]456n7c8=C(C9=[N]4C(=C(c4n5c(cc4)C(=C4[N]6=C(C=C4)C(=c7cc8)c4c(F)cccc4F)c4c(F)cccc4F)c4c(F)cccc4F)C=C9)c4c(F)cccc4F)[N](Cc4[n]1cccc4)(Cc1[n]2cccc1)Cc1[n]3cccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Generation and Characterization of [(P)M-(X)-Co(TMPA)]n+ Assemblies; P = Porphyrinate, M = FeIII and CoIII, X = O2-, OH-, O22-, and TMPA = Tris(2-pyridylmethyl)amine
• Authors of publication: Eduardo E. Chufán; Claudio N. Verani; Simona C. Puiu; Eva Rentschler; Ulrich Schatzschneider; Christopher Incarvito; Arnold L. Rheingold; Kenneth D. Karlin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3017 - 3026
• a: 30.38 ± 0.04 Å
• b: 10.368 ± 0.014 Å
• c: 43.3 ± 0.06 Å
• α: 90°
• β: 94.66 ± 0.03°
• γ: 90°
• Cell volume: 13594 ± 3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0988
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.2291
• Weighted residual factors for all reflections included in the refinement: 0.2347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.651
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No