Information card for entry 7114435

Structure parameters

• Chemical name: bis((2,2'-dipyridyl)(mu-2-(2-oxobenzoato-O,O',O")iron(iii)) (nitrato-O,O')triaquacerium(iii) ethanol solvate
• Formula: C50 H44 Ce Fe2 N5 O19
• Calculated formula: C50 H38 Ce Fe2 N5 O19
• Title of publication: Heterometallic CeIII???FeIII???salicylate networks: models for corrosion mitigation of steel surfaces by the ???Green??? inhibitor, Ce(salicylate)3
• Authors of publication: Deacon, Glen B.; Forsyth, Craig M.; Behrsing, Thomas; Konstas, Kristina; Forsyth, Maria
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 23
• Pages of publication: 2820
• a: 12.5989 ± 0.0004 Å
• b: 19.9199 ± 0.0007 Å
• c: 20.643 ± 0.0008 Å
• α: 90°
• β: 100.614 ± 0.002°
• γ: 90°
• Cell volume: 5092.1 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2037
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No