Information card for entry 7241705

Structure parameters

• Formula: C26 H26 Cl2 Fe N10 O2
• Calculated formula: C26 H26 Cl2 Fe N10 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: 8.7562 ± 0.0006 Å
• b: 13.1732 ± 0.001 Å
• c: 12.6457 ± 0.0007 Å
• α: 90°
• β: 95.04 ± 0.006°
• γ: 90°
• Cell volume: 1453.01 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1193
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 0.845
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No