Information card for entry 4122953

Structure parameters

• Formula: C100 H120 B4 Co2 Fe4 N44 O12
• Calculated formula: C100 H105.372 B4 Co2 Fe4 N44 O12
• Title of publication: Thermochromic and Photoresponsive Cyanometalate Fe/Co Squares: Toward Control of the Electron Transfer Temperature.
• Authors of publication: Zhang, Yuan-Zhu; Ferko, Philip; Siretanu, Diana; Ababei, Rodica; Rath, Nigam P.; Shaw, Michael J.; Clérac, Rodolphe; Mathonière, Corine; Holmes, Stephen M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Pages of publication: 141119160917008
• a: 13.347 ± 0.002 Å
• b: 14.903 ± 0.003 Å
• c: 16.519 ± 0.003 Å
• α: 86.703 ± 0.009°
• β: 67.965 ± 0.009°
• γ: 76.033 ± 0.01°
• Cell volume: 2953.7 ± 0.9 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 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: 0.0997
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No