Information card for entry 7116558

Structure parameters

• Formula: C26 H35 B2 F8 Fe N5 O6
• Calculated formula: C26 H35 B2 F8 Fe N5 O6
• Title of publication: Single-ion magnet behaviour of heptacoordinated Fe(II) complexes: on the importance of supramolecular organization
• Authors of publication: Arun Kumar Bar; Celine Pichon; Nayanmoni Gogoi; Carine Duhayon; S. Ramasesha; Jean-Pascal Sutter
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 3616
• a: 7.7688 ± 0.0004 Å
• b: 8.5125 ± 0.0004 Å
• c: 24.4247 ± 0.0011 Å
• α: 82.716 ± 0.002°
• β: 85.057 ± 0.002°
• γ: 84.926 ± 0.002°
• Cell volume: 1591.34 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0875
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No