Information card for entry 2017201

Structure parameters

• Chemical name: Trinitratobis{<i>N</i>'-[1-(2- pyridyl)ethylidene]isonicotinohydrazide}cerium(III)
• Formula: C26 H24 Ce N11 O11
• Calculated formula: C26 H24 Ce N11 O11
• SMILES: C(=[N]1NC(c2ccncc2)=[O][Ce]23451(ON(=[O]2)=O)(ON(=O)=[O]5)([N](=C(c1ccccn1)C)NC(c1ccncc1)=[O]3)ON(=[O]4)=O)(c1ccccn1)C
• Title of publication: Trinitratobis{<i>N</i>'-[1-(2-pyridyl)ethylidene]isonicotinohydrazide}cerium(III): a three-dimensional cerium‒organic supramolecular structure
• Authors of publication: Zhang, Ying-Ying; Liu, Shi-Xiong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m269 - m272
• a: 21.842 ± 0.011 Å
• b: 10.591 ± 0.004 Å
• c: 15.105 ± 0.005 Å
• α: 90°
• β: 122.317 ± 0.015°
• γ: 90°
• Cell volume: 2953 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes