Information card for entry 4314425

Structure parameters

• Formula: C47 H39 Fe K N8 O3
• Calculated formula: C47 H39 Fe K N8 O3
• SMILES: [Fe]123([N](c4c(cccc4)N1C(=O)c1ccccc1)(c1c(cccc1)N2C(=O)c1ccccc1)c1c(cccc1)N3C(=O)c1ccccc1)[N]#CC.[K+].N#CC.N#CC.N#CC
• 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: 10.208 ± 0.003 Å
• b: 23.532 ± 0.007 Å
• c: 18.691 ± 0.005 Å
• α: 90°
• β: 103.422 ± 0.005°
• γ: 90°
• Cell volume: 4367 ± 2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections included in the refinement: 0.1672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No