Information card for entry 7030532

Structure parameters

• Formula: C38 H34 Fe Mn N8 O6
• Calculated formula: C38 H32 Fe Mn N8 O5.5
• Title of publication: Supramolecular metallomacrocycles based on trans-dicyanoferrite(III) building blocks: synthesis, crystal structure and magnetic properties
• Authors of publication: Ni, Zhong-Hai; Tao, Jun; Wernsdorfer, Wolfgang; Cui, Ai-Li; Kou, Hui-Zhong
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 15
• Pages of publication: 2788 - 2794
• a: 23.047 ± 0.003 Å
• b: 23.047 ± 0.003 Å
• c: 15.195 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8071 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0941
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.2304
• Weighted residual factors for all reflections included in the refinement: 0.2367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7000976
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No