Information card for entry 2008462

Structure parameters

• Chemical name: Trinitrato-bis[N-(2-pyridinylmethylene)-N'-benzoyl-hydrazino]cerium(III) acetone dihydrate
• Formula: C29 H32 Ce N9 O14
• Calculated formula: C29.5 H28 Ce N8.5 O14
• SMILES: [Ce]1234567([N](=Cc8cccc[n]18)NC(c1ccccc1)=[O]3)([N](=Cc1cccc[n]21)NC(c1ccccc1)=[O]4)(ON(=[O]5)=O)([O]=N(=O)O6)ON(=[O]7)=O.C(=O)(C)C.O.O
• Title of publication: Bis[<i>N</i>-benzoyl-<i>N</i>'-(2-pyridylmethylene)hydrazine]trinitratocerium(III) acetone dihydrate
• Authors of publication: Christidis, Panayiotis C.; Tossidis, Ioannis A.; Paschalidis, Damianos G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 707 - 710
• a: 18.6342 ± 0.0019 Å
• b: 11.1941 ± 0.0008 Å
• c: 34.734 ± 0.002 Å
• α: 90°
• β: 99.188 ± 0.009°
• γ: 90°
• Cell volume: 7152.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1077
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes