Information card for entry 7102920

Structure parameters

• Formula: C48 H67 Fe
• Calculated formula: C48 H67 Fe
• SMILES: c1(c(c(cc(c1c1c(cc(cc1C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)[Fe]12345[cH]6[cH]1[cH]2[cH]3[cH]4[cH]56
• Title of publication: Univalent transition metal complexes of arenes stabilized by a bulky terphenyl ligand: differences in the stability of Cr(I), Mn(I) or Fe(I) complexes.
• Authors of publication: Ni, Chengbao; Ellis, Bobby D; Fettinger, James C; Long, Gary J; Power, Philip P
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 8
• Pages of publication: 1014 - 1016
• a: 22.0866 ± 0.0014 Å
• b: 10.9907 ± 0.0007 Å
• c: 17.4459 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4234.9 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No