Information card for entry 7707024

Structure parameters

• Formula: C398 H420 Cl12 F72 Fe8 N24 O3 P28 Ru4
• Calculated formula: C398 H420 Cl12 F72 Fe8 N24 O3 P28 Ru4
• 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: 15.54011 ± 0.00005 Å
• b: 20.78264 ± 0.00009 Å
• c: 33.67197 ± 0.00016 Å
• α: 107.885 ± 0.0004°
• β: 95.1931 ± 0.0003°
• γ: 90.3443 ± 0.0003°
• Cell volume: 10300.3 ± 0.08 ų
• Cell temperature: 110.6 ± 0.3 K
• Ambient diffraction temperature: 110.6 ± 0.3 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No