Information card for entry 7201108

Structure parameters

• Formula: C18 H24 B2 F8 Fe N10
• Calculated formula: C18 H24 B2 F8 Fe N10
• SMILES: [Fe]123456[N](CC[N]1=Cc1[n]2cc[nH]1)(CC[N]3=Cc1[n]4cc[nH]1)CC[N]5=Cc1[n]6cc[nH]1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Supramolecular assemblies prepared from an iron(II) tripodal complex, tetrafluoroborate, and alkali metal cations. The effect of cation size on coordination number, anion disorder and hydrogen bonding
• Authors of publication: Alvarado, Luigi; Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Straka, Alison; Viragh, Carol
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 2297
• a: 9.4059 ± 0.0003 Å
• b: 22.769 ± 0.0005 Å
• c: 12.165 ± 0.0003 Å
• α: 90°
• β: 110.168 ± 0.003°
• γ: 90°
• Cell volume: 2445.55 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0559
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No