Information card for entry 7706078

Structure parameters

• Formula: C34 H58 B2 F8 Fe N24 O13
• Calculated formula: C34 H50 B4.7 F8 Fe N24 O13
• Title of publication: Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids.
• Authors of publication: Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 47
• Pages of publication: 17183 - 17193
• a: 10.53 ± 0.003 Å
• b: 10.576 ± 0.003 Å
• c: 13.836 ± 0.004 Å
• α: 75.4 ± 0.008°
• β: 73.122 ± 0.007°
• γ: 64.974 ± 0.007°
• Cell volume: 1321.1 ± 0.7 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2313
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.1728
• Weighted residual factors for all reflections included in the refinement: 0.2172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No