Information card for entry 2009568

Structure parameters

• Formula: C36 H44 Fe N3 O4
• Calculated formula: C38 H39 Fe N3 O4
• Title of publication: Synthesis and structure of the new complex Et~3~NH[Fe(tben)]
• Authors of publication: Vencato, Ivo; Neves, Ademir; Vincent, Beverly R.; Erasmus-Buhr, Claudia; Haase, Wolfgang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 3
• Pages of publication: 386 - 388
• a: 14.053 ± 0.003 Å
• b: 10.781 ± 0.005 Å
• c: 21.406 ± 0.005 Å
• α: 90°
• β: 102.84 ± 0.02°
• γ: 90°
• Cell volume: 3162 ± 1.8 ų
• Cell temperature: 294 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.058
• Goodness-of-fit parameter for significantly intense reflections: 1.31
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No