Information card for entry 4314430

Structure parameters

• Formula: C27 H33 Fe K N4
• Calculated formula: C27 H33 Fe K N4
• SMILES: [Fe]123[N](c4c(cccc4)N1C(C)C)(c1c(cccc1)N2C(C)C)c1c(cccc1)N3C(C)C.[K+]
• 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: 9.52 ± 0.003 Å
• b: 13.226 ± 0.004 Å
• c: 20.248 ± 0.006 Å
• α: 89.225 ± 0.005°
• β: 80.427 ± 0.005°
• γ: 86.355 ± 0.005°
• Cell volume: 2508.9 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2319
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.2118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.776
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No