Information card for entry 2012235

Structure parameters

• Chemical name: bis(methanol-κO)tris(nitrato-κ^2^O,O')(2,2':6',2''-terpyridine-κ^3^N) cerium(III)
• Formula: C17 H19 Ce N6 O11
• Calculated formula: C17 H19 Ce N6 O11
• SMILES: [Ce]12345(ON(=O)=[O]1)(ON(=O)=[O]2)(ON(=[O]3)=O)([OH]C)([OH]C)[n]1ccccc1c1[n]4c(ccc1)c1[n]5cccc1
• Title of publication: Pyridinium tetrakis(nitrato-κ^2^<i>O</i>,<i>O</i>')(2,2':6',2''-terpyridine-κ^3^<i>N</i>)cerate(III) pyridine solvate and bis(methanol-κ<i>O</i>)tris(nitrato-κ^2^<i>O</i>,<i>O</i>')(2,2':6',2''-terpyridine-κ^3^<i>N</i>)cerium(III)
• Authors of publication: Grigoriev, Mikhail S.; Den Auwer, Christophe; Madic, Charles
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: 1141 - 1143
• a: 7.746 ± 0.0002 Å
• b: 12.228 ± 0.0003 Å
• c: 12.3405 ± 0.0003 Å
• α: 91.253 ± 0.002°
• β: 103.238 ± 0.002°
• γ: 96.51 ± 0.002°
• Cell volume: 1129.09 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No