Information card for entry 7062370

Structure parameters

• Formula: C106 H122 F24 Fe2 N6 P8 Ru
• Calculated formula: C106 H122 F24 Fe2 N6 P8 Ru
• Title of publication: MMCT energy change in cyanidometal-bridged trinuclear complexes by changing the ligand electron donating ability
• Authors of publication: Qian, Wang; Liu, Xiao-Lin; Tan, Bing-Chang; Song, Ying; Jiang, Long-Long; Wu, Xin-Tao; Sheng, Tian-Lu
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 15
• Pages of publication: 7134 - 7142
• a: 12.4822 ± 0.0001 Å
• b: 14.6612 ± 0.0003 Å
• c: 17.9543 ± 0.0003 Å
• α: 106.982 ± 0.002°
• β: 101.599 ± 0.001°
• γ: 101.399 ± 0.001°
• Cell volume: 2960.78 ± 0.09 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0468
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No