Information card for entry 7713978

Structure parameters

• Formula: C29 H26 Cl2 N5 Ni O9
• Calculated formula: C29 H26 Cl2 N5 Ni O9
• Title of publication: Observation of protonation-induced intra-molecular metal-to-metal charge transfer in cyano-bridged [Fe−CN−Mn/Ni] dinuclear complexes
• Authors of publication: Jia, Shuwen; Zhu, Xinrui; Li, Dongfeng
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 21.388 ± 0.004 Å
• b: 12.49 ± 0.002 Å
• c: 12.86 ± 0.002 Å
• α: 90°
• β: 120.023 ± 0.007°
• γ: 90°
• Cell volume: 2974.4 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.054
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No