Information card for entry 7707021

Structure parameters

• Formula: C96 H98 Cl4 F12 Fe2 N6 P6 Ru
• Calculated formula: C96 H98 Cl4 F12 Fe2 N6 P6 Ru
• Title of publication: Tuning metal to metal charge transfer properties in cyanidometal-bridged complexes by changing the auxiliary ligand on the bridge.
• Authors of publication: Xu, Qing-Dou; Zeng, Chen; Su, Shao-Dong; Yang, Yu-Ying; Hu, Sheng-Min; Li, Ting-Ya; Wu, Xin-Tao; Sheng, Tian-Lu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 18
• Pages of publication: 6161 - 6169
• a: 11.9194 ± 0.0005 Å
• b: 14.9993 ± 0.0005 Å
• c: 16.549 ± 0.0005 Å
• α: 106.505 ± 0.003°
• β: 105.512 ± 0.003°
• γ: 95.595 ± 0.003°
• Cell volume: 2684.81 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1001
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.196
• Weighted residual factors for all reflections included in the refinement: 0.2123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No