Information card for entry 4314432

Structure parameters

• Formula: C33 H42 N4 O3
• Calculated formula: C33 H42 N4 O3
• SMILES: N(c1c(cccc1)NC(=O)C(C)(C)C)(c1c(cccc1)NC(=O)C(C)(C)C)c1c(cccc1)NC(=O)C(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: 9.216 ± 0.002 Å
• b: 15.926 ± 0.004 Å
• c: 20.36 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2988.3 ± 1.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No