Information card for entry 4318131

Structure parameters

• Common name: [FeCl(depe)2]BPh4
• Formula: C44 H68 B Cl Fe P4
• Calculated formula: C44 H68 B Cl Fe P4
• Title of publication: Five-Coordinate Complexes [FeX(depe)2]BPh4, X = Cl, Br: Electronic Structure and Spin-Forbidden Reaction with N2
• Authors of publication: Oliver Franke; Beatrix E. Wiesler; Nicolai Lehnert; Christian Näther; Vadim Ksenofontov; Jörg Neuhausen; Felix Tuczek
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3491 - 3499
• a: 10.935 ± 0.002 Å
• b: 15.883 ± 0.001 Å
• c: 25.52 ± 0.003 Å
• α: 90 ± 0.006°
• β: 90 ± 0.009°
• γ: 90 ± 0.008°
• Cell volume: 4432.3 ± 1 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for all reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.07
• Goodness-of-fit parameter for all reflections: 0.94
• Goodness-of-fit parameter for significantly intense reflections: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No