Information card for entry 2210723

Structure parameters

• Chemical name: Tris(guanidinium) tris(pyridine-2,6-dicarboxylato-κ^3^O,N,O)cerate(III) trihydrate
• Formula: C24 H33 Ce N12 O15
• Calculated formula: C24 H33 Ce N12 O15
• SMILES: [Ce]123456(OC(=O)c7[n]4c(ccc7)C(=O)O1)(OC(=O)c1[n]5c(ccc1)C(=O)O2)OC(=O)c1[n]6c(ccc1)C(=O)O3.NC(=[NH2+])N.O.O.O.[NH2+]=C(N)N.[NH2+]=C(N)N
• Title of publication: Tris(guanidinium) tris(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>)cerate(III) trihydrate
• Authors of publication: Aghabozorg, Hossein; Mohammad Panah, Fahimeh; Sadr-khanlou, Elahe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2509 - m2511
• a: 19.0405 ± 0.0007 Å
• b: 17.1308 ± 0.0007 Å
• c: 20.5597 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6706.1 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes