Information card for entry 7058156

Structure parameters

• Formula: C44 H37 Cl3 Cu F3 Fe N4 O4 P2
• Calculated formula: C44 H37 Cl3 Cu F3 Fe N4 O4 P2
• Title of publication: Heterobimetallic copper(i) complexes bearing both 1,1′-bis(diphenylphosphino)ferrocene and functionalized 3-(2′-pyridyl)-1,2,4-triazole
• Authors of publication: Chen, Jing-Lin; Zeng, Xue-Hua; Ganesan, Paramaguru; He, Li-Hua; Liao, Jin-Sheng; Liu, Sui-Jun; Wen, He-Rui; Zhao, Feng; Chi, Yun
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 10
• Pages of publication: 4261
• a: 14.662 ± 0.0009 Å
• b: 17.0542 ± 0.0011 Å
• c: 17.7433 ± 0.0011 Å
• α: 90°
• β: 95.218 ± 0.002°
• γ: 90°
• Cell volume: 4418.3 ± 0.5 ų
• Cell temperature: 194 ± 2 K
• Ambient diffraction temperature: 194 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0991
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1616
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No