Information card for entry 7701807

Structure parameters

• Formula: C138 H97 B4 F16 Fe7 N30 O14
• Calculated formula: C138 H97 B4 F16 Fe7 N30 O14
• Title of publication: A triple-triangle cluster derived from a simple tridentate ligand
• Authors of publication: Shiga, Takuya; Okawa, Natsumi; Oshio, Hiroki
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 31.366 ± 0.002 Å
• b: 21.3 ± 0.0016 Å
• c: 25.0526 ± 0.0019 Å
• α: 90°
• β: 100.357 ± 0.001°
• γ: 90°
• Cell volume: 16465 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1217
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1859
• Weighted residual factors for all reflections included in the refinement: 0.2291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No