Information card for entry 4314428

Structure parameters

• Formula: C32 H30 F9 Fe K N6 O5
• Calculated formula: C32 H30 F9 Fe K N6 O5
• SMILES: [Fe]123([N](c4c(cccc4)N1C(=O)C(F)(F)F)(c1c(cccc1)N2C(=O)C(F)(F)F)c1c(cccc1)N3C(=O)C(F)(F)F)[O]=C(C)N(C)C.[K+].C(=O)(C)N(C)C
• Title of publication: Synthesis and Characterization of a Series of Structurally and Electronically Diverse Fe(II) Complexes Featuring a Family of Triphenylamido-Amine Ligands
• Authors of publication: Patrina Paraskevopoulou; Lin Ai; Qiuwen Wang; Devender Pinnapareddy; Rama Acharyya; Rupam Dinda; Purak Das; Remle Çelenligil-Çetin; Georgios Floros; Yiannis Sanakis; Amitava Choudhury; Nigam P. Rath; Pericles Stavropoulos
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 108 - 122
• a: 18.2046 ± 0.0014 Å
• b: 10.7576 ± 0.0008 Å
• c: 19.0952 ± 0.0015 Å
• α: 90°
• β: 94.456 ± 0.001°
• γ: 90°
• Cell volume: 3728.3 ± 0.5 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1887
• Weighted residual factors for all reflections included in the refinement: 0.2071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No