Information card for entry 7038030

Structure parameters

• Formula: C84.83 H68.33 F12 Fe2 N11 O16.83 S4
• Calculated formula: C82.8333 H65.3333 F12 Fe2 N10 O16.8333 S4
• Title of publication: Novel iminopyridine derivatives: ligands for preparation of Fe(ii) and Cu(ii) dinuclear complexes.
• Authors of publication: Martínez-Ferraté, Oriol; López-Valbuena, Josep M; Belmonte, Marta Martínez; White, Andrew J. P.; Benet-Buchholz, Jordi; Britovsek, George J. P.; Claver, Carmen; van Leeuwen, Piet W. N. M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3564 - 3576
• a: 13.0865 ± 0.0003 Å
• b: 24.7981 ± 0.0006 Å
• c: 24.8927 ± 0.0006 Å
• α: 114.155 ± 0.002°
• β: 98.177 ± 0.0018°
• γ: 104.821 ± 0.0019°
• Cell volume: 6840.8 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.2104
• Weighted residual factors for all reflections included in the refinement: 0.2318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No