Information card for entry 7030534

Structure parameters

• Formula: C79 H77 Cl4 Fe2 Mn2 N17 O16
• Calculated formula: C79 H62 Cl4 Fe2 Mn2 N17 O16
• 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: 15.771 ± 0.006 Å
• b: 15.849 ± 0.005 Å
• c: 18.403 ± 0.006 Å
• α: 77.54 ± 0.016°
• β: 73.189 ± 0.015°
• γ: 78.68 ± 0.016°
• Cell volume: 4255 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1666
• Residual factor for significantly intense reflections: 0.1081
• Weighted residual factors for significantly intense reflections: 0.2467
• Weighted residual factors for all reflections included in the refinement: 0.2869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7000978
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No