Information card for entry 4303811

Structure parameters

• Formula: C98 H134 Ce4 N14 O102 Pr4
• Calculated formula: C98 H134 Ce4 N14 O102 Pr4
• SMILES: c12C(=O)O[Ce]34567([n]1c(C(=O)O3)ccc2)([n]1c(cccc1C(=O)O5)C(=O)O4)[n]1c(cccc1C(=O)O6)C(O7)=[O][Pr]123([n]4c(cccc4C(O3)=[O][Pr]([O]=C3c4cccc5C(O[Ce]6789([n]%10c(cccc%10C(=O)O7)C(=O)O6)([n]6c(cccc6C(=O)O9)C(=O)O8)([n]45)O3)=[O][Pr]34([n]5c(cccc5C(O4)=[O][Pr]([O]=C4c5cccc6C(O[Ce]789%10([n]%11c(cccc%11C(=O)O8)C(=O)O7)([n]56)(O4)[n]4c(cccc4C(=O)O%10)C(=O)O9)=[O]1)([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2])C(=O)O3)([O]=C1c3cccc4C(=O)O[Ce]5678([n]9c(cccc9C(=O)O6)C(=O)O5)([n]5c(cccc5C(=O)O8)C(=O)O7)([n]34)O1)([OH2])([OH2])([OH2])[OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2])C(=O)O2)([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Cerium(IV)-Lanthanide(III)-Pyridine-2,6-dicarboxylic Acid System: Coordination Salts, Chains, and Rings
• Authors of publication: T. K. Prasad; M. V. Rajasekharan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11543 - 11550
• a: 14.8383 ± 0.0007 Å
• b: 15.1286 ± 0.0007 Å
• c: 17.5109 ± 0.0008 Å
• α: 106.704 ± 0.001°
• β: 100.715 ± 0.001°
• γ: 100.745 ± 0.001°
• Cell volume: 3577.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No