Information card for entry 7706081

Structure parameters

• Formula: C34 H58 Cl2 Fe N24 O21
• Calculated formula: C34 H58 Cl2 Fe N24 O21
• 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: 10.6262 ± 0.0013 Å
• b: 11.0192 ± 0.0013 Å
• c: 27.044 ± 0.003 Å
• α: 96.08 ± 0.004°
• β: 93.16 ± 0.004°
• γ: 116.571 ± 0.003°
• Cell volume: 2797.5 ± 0.6 ų
• Cell temperature: 200.15 K
• Ambient diffraction temperature: 200.15 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: 0.1889
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.2197
• Weighted residual factors for all reflections included in the refinement: 0.2649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No