Information card for entry 7225189

Structure parameters

• Chemical name: tri(chrysazinato)-di-iron(III) N,N-dimethylformamide solvate hemihydrate
• Formula: C45 H26 Fe2 N O13.5
• Calculated formula: C45 H26 Fe2 N O13.5
• Title of publication: Transition metal coordination complexes of chrysazin
• Authors of publication: Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 27
• Pages of publication: 5121
• a: 8.2927 ± 0.0004 Å
• b: 15.5166 ± 0.0007 Å
• c: 15.8042 ± 0.0006 Å
• α: 118.226 ± 0.004°
• β: 92.344 ± 0.004°
• γ: 92.239 ± 0.004°
• Cell volume: 1786.34 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No