Information card for entry 7209782

Structure parameters

• Formula: C23 H30 Ce N5 O14
• Calculated formula: C23 H30 Ce N5 O14
• SMILES: [Ce]123456(ON(=O)=[O]1)([O]=N(=O)O3)(ON(=O)=[O]2)([O](C)c1c(c(ccc1)C=[NH+][C@@H]1[C@H](CCCC1)[NH+]=Cc1cccc(c1O4)[O]6C)O5)[OH]C.[Ce]123456(ON(=O)=[O]1)([O]=N(=O)O3)(ON(=O)=[O]2)([O](C)c1c(c(ccc1)C=[NH+][C@H]1[C@@H](CCCC1)[NH+]=Cc1cccc(c1O4)[O]6C)O5)[OH]C
• Title of publication: Crystal engineering of salen type cerium complexes tuned by various cerium counterions
• Authors of publication: Gao, Bo; Zhang, Qian; Yan, Pengfei; Hou, Guangfeng; Li, Guangming
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 20
• Pages of publication: 4167
• a: 29.134 ± 0.006 Å
• b: 14.254 ± 0.003 Å
• c: 14.244 ± 0.003 Å
• α: 90°
• β: 104.1 ± 0.03°
• γ: 90°
• Cell volume: 5737 ± 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: 0.1183
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.2104
• Weighted residual factors for all reflections included in the refinement: 0.2347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No