Information card for entry 4314427

Structure parameters

• Formula: C72 H93 Fe2 K2 N11 O9
• Calculated formula: C72 H93 Fe2 K2 N11 O9
• SMILES: [Fe]123[O]=C(N4[Fe]5([O]=C(N3c3c(N(c6c(N1C(=O)C(C)C)cccc6)c1c(N2C(=O)C(C)C)cccc1)cccc3)C(C)C)N(c1c(N(c2c4cccc2)c2c(N5C(=O)C(C)C)cccc2)cccc1)C(=O)C(C)C)C(C)C.[K+].[K+].O=C(C)N(C)C.O=C(C)N(C)C.O=C(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: 20.365 ± 0.003 Å
• b: 20.45 ± 0.003 Å
• c: 21.442 ± 0.003 Å
• α: 64.44 ± 0.002°
• β: 81.256 ± 0.002°
• γ: 67.663 ± 0.002°
• Cell volume: 7450.7 ± 1.9 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.1358
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.1917
• Weighted residual factors for all reflections included in the refinement: 0.2416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No