Information card for entry 7223536

Structure parameters

• Formula: C84 H89.5 Fe2 N20 O8.75
• Calculated formula: C84 H89.5 Fe2 N20 O8.75
• Title of publication: Supramolecular complexes involving non-symmetric viologen cations and hexacyanoferrate(II) anions. A spectroscopic, crystallographic and computational study.
• Authors of publication: Papadakis, Raffaello; Deligkiozi, Ioanna; Giorgi, Michel; Faure, Bruno; Tsolomitis, Athanase
• Journal of publication: RSC Advances
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 575 - 585
• a: 14.6547 ± 0.0005 Å
• b: 34.5808 ± 0.0013 Å
• c: 35.0669 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17770.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.1107
• Residual factor for significantly intense reflections: 0.0875
• Weighted residual factors for significantly intense reflections: 0.242
• Weighted residual factors for all reflections included in the refinement: 0.2694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No