Information card for entry 7117888

Structure parameters

• Formula: C18 H30 Fe7 N2 O40
• Calculated formula: C18 H30 Fe7 N2 O40
• Title of publication: Divalent metal ions modulated strong frustrated M(ii)-Fe(iii)3O (M = Fe, Mn, Mg) chains with metamagnetism only in a mixed valence iron complex.
• Authors of publication: Wu, Qi-Long; Han, Song-De; Wang, Qing-Lun; Zhao, Jiong-Peng; Ma, Feng; Jiang, Xue; Liu, Fu-Chen; Bu, Xian-He
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 83
• Pages of publication: 15336 - 15339
• a: 6.8366 ± 0.0014 Å
• b: 10.967 ± 0.002 Å
• c: 14.884 ± 0.003 Å
• α: 111.35 ± 0.03°
• β: 97.42 ± 0.03°
• γ: 92.39 ± 0.03°
• Cell volume: 1025.9 ± 0.4 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: 0.1188
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.1908
• Weighted residual factors for all reflections included in the refinement: 0.2038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No