Information card for entry 4318657

Structure parameters

• Formula: C68 H66 Cl4 Fe2 N11 O
• Calculated formula: C68 H58 Cl4 Fe2 N11 O0.25
• Title of publication: Trigonal Bipyramidal Geometry and Tridentate Coordination Mode of the Tripod in FeCl2 Complexes with Tris(2-pyridylmethyl)amine Derivatives Bis-α-Substituted with Bulky Groups. Structures and Spectroscopic Comparative Studies
• Authors of publication: Dominique Mandon; Ahmed Machkour; Sandrine Goetz; Richard Welter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5364 - 5372
• a: 9.1141 ± 0.0003 Å
• b: 12.6745 ± 0.0007 Å
• c: 15.6581 ± 0.0007 Å
• α: 113.786 ± 0.006°
• β: 94.924 ± 0.006°
• γ: 91.108 ± 0.006°
• Cell volume: 1646.13 ± 0.15 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.117
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections: 2.78
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No