Information card for entry 2015560

Structure parameters

• Chemical name: diaqua(diethyl ether)[2,6-bis(3-tert-butylpyrazol-1-yl)pyridine]iron(II) bis(tetrafluoroborate) diethyl ether disolvate
• Formula: C28 H47 B2 F8 Fe N5 O5
• Calculated formula: C28 H47 B2 F8 Fe N5 O5
• Title of publication: An unusual example of a linearly coordinated acetone ligand in a six-coordinate iron(II) complex
• Authors of publication: Colin A. Kilner; Malcolm A. Halcrow
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m437 - m439
• a: 24.4575 ± 0.0004 Å
• b: 12.7827 ± 0.0001 Å
• c: 14.5598 ± 0.0004 Å
• α: 90°
• β: 126.323 ± 0.001°
• γ: 90°
• Cell volume: 3667.4 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes