Information card for entry 7057724

Structure parameters

• Formula: C29 H36 Fe0.5 N7 O7
• Calculated formula: C29 H36 Fe0.5 N7 O7
• Title of publication: Supramolecular inter-ionic charge-transfer complexes between derivatives of pyridinium-4-oxime cations and hexacyanoferrate(ii) anions
• Authors of publication: Foretić, Blaženka; Vianello, Robert; Matković-Čalogović, Dubravka; Jadreško, Dijana; Picek, Igor
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 19
• Pages of publication: 16115
• a: 9.215 ± 0.0005 Å
• b: 12.2553 ± 0.0005 Å
• c: 16.2052 ± 0.0008 Å
• α: 108.627 ± 0.004°
• β: 95.042 ± 0.004°
• γ: 105.537 ± 0.004°
• Cell volume: 1640.43 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No