Information card for entry 7011928

Structure parameters

• Formula: C32 H26 N2 O6
• Calculated formula: C32 H26 N2 O6
• SMILES: c1cc(ccn1)c1ccncc1.c1c(C(=O)O)c(ccc1)COc1ccc(OCc2c(C(=O)O)cccc2)cc1
• Title of publication: Synthesis, X-ray structures, electrochemistry, magnetic properties, and theoretical studies of the novel monomeric [CoI2(dppfO2)] and polymeric chain [CoI2(μ-dppfO2)n]
• Authors of publication: Teresa Avilés; António Dinis; José Orlando Gonçalves; Vitor Félix; Maria José Calhorda; Ângela Prazeres; Michael G. B. Drew; Helena Alves; Rui T. Henriques; Vasco da Gama; Piero Zanello; Marco Fontani
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 24
• Pages of publication: 4595 - 4602
• a: 6.1009 ± 0.0007 Å
• b: 8.0739 ± 0.0009 Å
• c: 13.4904 ± 0.0015 Å
• α: 83.523 ± 0.002°
• β: 80.384 ± 0.001°
• γ: 87.233 ± 0.002°
• Cell volume: 650.7 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No