Information card for entry 7112200

Structure parameters

• Formula: C110 H148 B2 Co2 F12 Fe2 N26 O2 P2
• Calculated formula: C110 H148 B2 Co2 F12 Fe2 N26 O2 P2
• Title of publication: X-ray-induced phase transitions by selective excitation of heterometal ions in a cyanide-bridged Fe-Co molecular square
• Authors of publication: Yoshihiro Sekine; Masayuki Nihei; Reiji Kumai; Hironori Nakao; Youichi Murakami; Hiroki Oshio
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 4050
• a: 24.639 ± 0.002 Å
• b: 19.1926 ± 0.0016 Å
• c: 29.908 ± 0.002 Å
• α: 90°
• β: 115.207 ± 0.002°
• γ: 90°
• Cell volume: 12796.3 ± 1.7 ų
• Cell temperature: 14 ± 2 K
• Ambient diffraction temperature: 14 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1162
• Residual factor for significantly intense reflections: 0.107
• Weighted residual factors for significantly intense reflections: 0.3193
• Weighted residual factors for all reflections included in the refinement: 0.3334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.446
• Diffraction radiation wavelength: 1 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No