Information card for entry 4336405

Structure parameters

• Formula: C10 H14 Ce6 N12 O54
• Calculated formula: C10 H14 Ce6 N12 O54
• SMILES: C1=[O][Ce]234567([OH]8[Ce]9%10%11%12%13([O]%14[Ce]%15%16%17%18%19%20([OH]%10[Ce]%10%21([O]29)([O]=CO%11)(OC=[O]3)([O]%17[Ce]239([O]%16[Ce]8%14([OH]42)([O]=CO%12)(OC=[O]3)(OC=[O]%15)[O]=CO6)([OH]5%10)([O]=CO%18)(OC=[O]%21)ON(=O)=[O]9)[O]=CO%19)[O]=N(=O)[O]%20)(O1)ON(=[O]%13)=O)[O]=N(=O)O7.N(=O)(=O)[O-].N(=O)(=O)[O-].[NH4+].[NH4+].[NH4+].O.O.O.N(=O)(=O)[O-].[NH4+].[NH4+].O.O
• Title of publication: Crystal Structure and Solution Species of Ce(III) and Ce(IV) Formates: From Mononuclear to Hexanuclear Complexes
• Authors of publication: Christoph Hennig; Atsushi Ikeda-Ohno; Werner Kraus; Stephan Weiss; Philip Pattison; Hermann Emerich; Paula M. Abdala; Andreas C. Scheinost
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11734 - 11743
• a: 12.3752 ± 0.0017 Å
• b: 26.152 ± 0.003 Å
• c: 15.698 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5080.4 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.291
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No