Information card for entry 4326661

Structure parameters

• Formula: C52 H60 B4 F16 Fe4 N8 S4
• Calculated formula: C52 H60 B4 F16 Fe4 N8 S4
• Title of publication: Self-Assembly and Redox Modulation of the Cavity Size of an Unusual Rectangular Iron Thiolate Aryldiisocyanide Metallocyclophane
• Authors of publication: Pei-Chin Lin; Hsing-Yin Chen; Po-Yu Chen; Ming-Hsi Chiang; Michael Y. Chiang; Ting-Shen Kuo; Sodio C. N. Hsu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10825 - 10834
• a: 9.9319 ± 0.0005 Å
• b: 10.0189 ± 0.0006 Å
• c: 16.4568 ± 0.0009 Å
• α: 89.47 ± 0.004°
• β: 88.841 ± 0.004°
• γ: 72.603 ± 0.003°
• Cell volume: 1562.32 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0917
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1705
• Weighted residual factors for all reflections included in the refinement: 0.1846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No