Information card for entry 7051573

Structure parameters

• Formula: C54 H52 Cl6 Fe3 N10 O
• Calculated formula: C54 H52 Cl6 Fe3 N10 O
• Title of publication: Square pyramidal geometry around the metal and tridentate coordination mode of the tripod in the [6-(3′-cyanophenyl)-2-pyridylmethyl]bis(2-pyridylmethyl)amine FeCl2 complex: a solid state effect
• Authors of publication: Thallaj, Nasser K.; Machkour, Ahmed; Mandon, Dominique; Welter, Richard
• Journal of publication: New Journal of Chemistry
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 12
• Pages of publication: 1555
• a: 21.396 ± 0.005 Å
• b: 11.286 ± 0.005 Å
• c: 22.693 ± 0.005 Å
• α: 90°
• β: 90.656 ± 0.005°
• γ: 90°
• Cell volume: 5479 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0972
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No