Information card for entry 7040174

Structure parameters

• Formula: C72.25 H56.5 Cl0.5 F6 Fe N6 O0.5 P3 Ru
• Calculated formula: C72.25 H55.5 Cl0.5 F6 Fe N6 O0.5 P3 Ru
• Title of publication: Syntheses, characterization and electrochemical and spectroscopic properties of ruthenium-iron complexes of 2,3,5,6-tetrakis(2-pyridyl)pyrazine and ferrocene-acetylide ligands.
• Authors of publication: Wen, Hui-Min; Wang, Jin-Yun; Zhang, Li-Yi; Shi, Lin-Xi; Chen, Zhong-Ning
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10620 - 10629
• a: 13.59 ± 0.003 Å
• b: 21.182 ± 0.005 Å
• c: 23.936 ± 0.006 Å
• α: 99.875 ± 0.004°
• β: 106.095 ± 0.002°
• γ: 91.09 ± 0.002°
• Cell volume: 6506 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.093
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.2047
• Weighted residual factors for all reflections included in the refinement: 0.225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No