Information card for entry 7018861

Structure parameters

• Formula: C12 H18 Fe3 N4 O18
• Calculated formula: C12 H18 Fe3 N4 O18
• Title of publication: Solvent-modulated metamagnetism in an Fe(ii) system exhibiting a two-step field-induced magnetic transition.
• Authors of publication: Zhou, Chun-Ding; Chen, Chao; Cai, Li-Xuan; Zhang, Jie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 19
• Pages of publication: 5912 - 5918
• a: 7.505 ± 0.009 Å
• b: 9.049 ± 0.01 Å
• c: 9.245 ± 0.011 Å
• α: 111.494 ± 0.007°
• β: 107.567 ± 0.015°
• γ: 99.924 ± 0.002°
• Cell volume: 527.9 ± 1.1 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 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: 0.0589
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No