Information card for entry 4314424

Structure parameters

• Formula: C40 H29 Cl6 Fe K N4 O
• Calculated formula: C40 H29 Cl6 Fe K N4 O
• SMILES: [Fe]123([N](c4c(cccc4)N1c1cc(Cl)cc(Cl)c1)(c1c(cccc1)N2c1cc(Cl)cc(Cl)c1)c1c(cccc1)N3c1cc(Cl)cc(Cl)c1)[O]1CCCC1.[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: 27.8793 ± 0.0015 Å
• b: 13.0277 ± 0.0007 Å
• c: 21.2649 ± 0.0011 Å
• α: 90°
• β: 102.354 ± 0.001°
• γ: 90°
• Cell volume: 7544.6 ± 0.7 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No