Information card for entry 7018815

Structure parameters

• Formula: C26 H18 B2 F8 Fe N10
• Calculated formula: C26 H18 B2 F8 Fe N10
• SMILES: [Fe]1234([n]5n(ccc5)c5[n]1c(n1[n]2ccc1)cc(c5)C#C)[n]1n(ccc1)c1[n]3c(n2[n]4ccc2)cc(c1)C#C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: The interplay of iron(ii) spin transition and polymorphism.
• Authors of publication: Salitroš, Ivan; Fuhr, Olaf; Eichhöfer, Andreas; Kruk, Robert; Pavlik, Ján; Dlháň, Lubor; Boča, Roman; Ruben, Mario
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 17
• Pages of publication: 5163 - 5171
• a: 15.681 ± 0.003 Å
• b: 16.3 ± 0.003 Å
• c: 23.553 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6020 ± 2 ų
• Cell temperature: 350 ± 2 K
• Ambient diffraction temperature: 350 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0929
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No