Information card for entry 7062367

Structure parameters

• Formula: C102 H114 F12 Fe2 N6 P6 Ru
• Calculated formula: C102 H114 F12 Fe2 N6 P6 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: 15.273 ± 0.0001 Å
• b: 17.4784 ± 0.0001 Å
• c: 19.053 ± 0.0001 Å
• α: 90°
• β: 105.506 ± 0.001°
• γ: 90°
• Cell volume: 4901.03 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No