Information card for entry 2243923

Structure parameters

• Chemical name: Hexakis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)iron(III) μ-chlorido-bis(trichloridocadmium)
• Formula: C18 H42 Cd2 Cl7 Fe N6 O6
• Calculated formula: C18 H42 Cd2 Cl7 Fe N6 O6
• SMILES: C(N(C)C)=[O][Fe]([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C.[Cd]([Cl][Cd](Cl)(Cl)Cl)(Cl)(Cl)Cl
• Title of publication: Crystal structure of hexakis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)iron(III) μ-chlorido-bis(trichloridocadmium)
• Authors of publication: Vassilyeva, Olga Yu.; Kokozay, Vladimir N.; Petrusenko, Svitlana; Sobolev, Alexandre N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 10
• a: 13.7143 ± 0.0002 Å
• b: 13.7143 Å
• c: 16.1312 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2627.51 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0221
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes