Information card for entry 4314433

Structure parameters

• Formula: C63 H50 Cl N4 O3 P
• Calculated formula: C63 H50 Cl N4 O3 P
• SMILES: [Cl-].[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.N(c1ccccc1NC(=O)c1ccccc1)(c1ccccc1NC(=O)c1ccccc1)c1ccccc1NC(=O)c1ccccc1
• 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: 12.4609 ± 0.0016 Å
• b: 30.241 ± 0.004 Å
• c: 13.0681 ± 0.0016 Å
• α: 90°
• β: 96.255 ± 0.008°
• γ: 90°
• Cell volume: 4895.1 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.2438
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.2114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No