Information card for entry 7241903

Structure parameters

• Chemical name: catena-[bis(u-cyano)-cyano-tetrakis(1-methylimidazole)-nitrosyl-iron-copper]
• Formula: C21 H24 Cu Fe N14 O
• Calculated formula: C21 H24 Cu Fe N14 O
• Title of publication: A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations
• Authors of publication: Pérez, Hiram; Di Santo, Alejandro; Piro, Oscar E.; Echeverría, Gustavo A.; Cano, A.; González, M.; Rodríguez-Hernández, J.; Ben Altabef, A.; Frontera, Antonio; Gil, Diego M.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 5
• Pages of publication: 1158 - 1171
• a: 9.167 ± 0.0005 Å
• b: 10.2296 ± 0.0005 Å
• c: 15.6179 ± 0.0008 Å
• α: 73.752 ± 0.004°
• β: 80.35 ± 0.004°
• γ: 84.476 ± 0.004°
• Cell volume: 1384.29 ± 0.13 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0611
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No