Information card for entry 4349288

Structure parameters

• Formula: C160 H188 B4 Br4 Co5 D8 Fe4 N44 O20
• Calculated formula: C130 H128 B4 Br4 Co5 D4 Fe4 N44 O8
• Title of publication: A Cyanide-Bridged Magnetically Switchable Cage with Encapsulated Water Molecules.
• Authors of publication: Wei, Rong-Jia; Shiga, Takuya; Newton, Graham N.; Robinson, David; Takeda, Sadamu; Oshio, Hiroki
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 23
• Pages of publication: 12114 - 12117
• a: 21.432 ± 0.004 Å
• b: 24.169 ± 0.004 Å
• c: 35.472 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18374 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No