Information card for entry 7116559

Structure parameters

• Formula: C27 H21 Fe N9 Ni O2
• Calculated formula: C27 H21 Fe N9 Ni O2
• 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: 17.3572 ± 0.0006 Å
• b: 15.1852 ± 0.0004 Å
• c: 10.1318 ± 0.0002 Å
• α: 90°
• β: 91.117 ± 0.002°
• γ: 90°
• Cell volume: 2669.96 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0689
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No