Information card for entry 7211858

Structure parameters

• Formula: C50 H68 Fe N18 O36
• Calculated formula: C50 H44 Fe N18 O36
• Title of publication: Photo- and thermally-enhanced charge separation in supramolecular viologen‒hexacyanoferrate complexes
• Authors of publication: Abouelwafa, Ahmed S.; Mereacre, Valeriu; Balaban, Teodor S.; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 94
• a: 26.442 ± 0.003 Å
• b: 11.3715 ± 0.0012 Å
• c: 22.311 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6708.6 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1904
• Weighted residual factors for all reflections included in the refinement: 0.2028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No