Information card for entry 4345113

Structure parameters

• Formula: C8 H14 Co Fe N O12
• Calculated formula: C8 H6 Co Fe N1.002 O12
• Title of publication: Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.
• Authors of publication: Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 197 - 207
• a: 8.2114 ± 0.0001 Å
• b: 8.2114 ± 0.0001 Å
• c: 13.6951 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 799.71 ± 0.02 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 6
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation wavelength: 0.66951 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No