Information card for entry 1556530

Structure parameters

• Formula: C50 H32 Fe N6 S2
• Calculated formula: C50 H32 Fe N6 S2
• Title of publication: Structure and Spin State of Iron(II) Assembled Complexes Using 9,10-Bis(4-pyridyl)anthracene as Bridging Ligand
• Authors of publication: Iwai, S.; Yoshinami, K.; Nakashima, S.
• Journal of publication: Inorganics
• Year of publication: 2017
• Journal volume: 5
• Pages of publication: 61
• a: 9.602 ± 0.0007 Å
• b: 18.9796 ± 0.0014 Å
• c: 23.8123 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4339.6 ± 0.6 ų
• Cell temperature: 173 ± 0.2 K
• Ambient diffraction temperature: 173 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1666
• Weighted residual factors for all reflections included in the refinement: 0.1786
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No