Information card for entry 4339247

Structure parameters

• Formula: C15 H24 Cl2 Fe N24 O8
• Calculated formula: C15 H24 Cl2 Fe N24 O8
• Title of publication: Tetrazol-2-yl as a donor group for incorporation of a spin-crossover function based on Fe(II) ions into a coordination network.
• Authors of publication: Bronisz, Robert
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 6733 - 6739
• a: 11.869 ± 0.003 Å
• b: 11.869 ± 0.003 Å
• c: 19.284 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2352.6 ± 1 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1713
• Weighted residual factors for all reflections included in the refinement: 0.1887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No