Information card for entry 7241709

Structure parameters

• Formula: C34 H32 Cl4 Fe2 N16 O2
• Calculated formula: C34 H32 Cl4 Fe2 N16 O2
• Title of publication: The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines
• Authors of publication: Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir
• Journal of publication: CrystEngComm
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 46
• Pages of publication: 8142 - 8150
• a: 8.1771 ± 0.0009 Å
• b: 11.2544 ± 0.0012 Å
• c: 12.1692 ± 0.0015 Å
• α: 91.426 ± 0.009°
• β: 108.865 ± 0.01°
• γ: 90.318 ± 0.009°
• Cell volume: 1059.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0674
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No