Information card for entry 4314422

Structure parameters

• Formula: C54 H45 F18 Fe K N4 O3
• Calculated formula: C54 H45 F18 Fe K N4 O3
• SMILES: [Fe]123([N](c4c(cccc4)N1c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1c(cccc1)N2c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(cccc1)N3c1cc(cc(c1)C(F)(F)F)C(F)(F)F)[O]1CCCC1.[K+].O1CCCC1.O1CCCC1
• 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: 12.732 ± 0.004 Å
• b: 14.506 ± 0.004 Å
• c: 16.574 ± 0.005 Å
• α: 111.68 ± 0.006°
• β: 92.961 ± 0.006°
• γ: 98.996 ± 0.005°
• Cell volume: 2789.5 ± 1.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2109
• Residual factor for significantly intense reflections: 0.117
• Weighted residual factors for significantly intense reflections: 0.276
• Weighted residual factors for all reflections included in the refinement: 0.3296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No