Information card for entry 4314423

Structure parameters

• Formula: C41 H57 Fe K N6 O5
• Calculated formula: C41 H57 Fe K N6 O5
• SMILES: [Fe]123OC(=Nc4c([N]1(c1c(N2C(=O)C(C)(C)C)cccc1)c1c(N3C(=O)C(C)(C)C)cccc1)cccc4)C(C)(C)C.[K+].O=C(N(C)C)C.O=C(N(C)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: 11.054 ± 0.004 Å
• b: 11.624 ± 0.004 Å
• c: 17.167 ± 0.006 Å
• α: 101.488 ± 0.006°
• β: 91.197 ± 0.006°
• γ: 95.524 ± 0.006°
• Cell volume: 2149.8 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.2131
• Weighted residual factors for all reflections included in the refinement: 0.2304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No