Information card for entry 7044444

Structure parameters

• Formula: C24 H16 Cl Fe N6 O8
• Calculated formula: C24 H16 Cl Fe N6 O8
• SMILES: [Fe]1234([n]5c(C(=O)N1C(=O)c1[n]2cccc1)cccc5)[n]1ccccc1C(=O)N4C(=O)c1[n]3cccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Generation and transformation of a hemi-iminal-based metal-organic Fe(II) structure obtained via subcomponent self-assembly in water
• Authors of publication: Markiewicz, Grzegorz; Piechocki, Miłosz; Walczak, Anna; Połomska, Ewa; Harrowfield, Jack; Stefankiewicz, Artur Ryszard
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 8.9536 ± 0.0002 Å
• b: 11.9966 ± 0.0003 Å
• c: 13.8709 ± 0.0003 Å
• α: 107.694 ± 0.002°
• β: 105.087 ± 0.002°
• γ: 99.04 ± 0.002°
• Cell volume: 1324.54 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No