Information card for entry 4303812

Structure parameters

• Formula: C98 H138 Ce4 N14 Nd4 O104
• Calculated formula: C98 H138 Ce4 N14 Nd4 O104
• SMILES: c12C(=O)O[Ce]34567([n]8c(C(=O)O3)cccc8C(=O)O6)(OC(=[O][Nd]368([O]=C9c%10cccc%11C(=[O][Nd]([O]=C%12c%13cccc%14C(=O)O[Nd]([n]%13%14)([O]=C%13c%14cccc%15C(=O)O[Ce]%16%17%18%19([n]%20c(cccc%20C(=O)O%17)C(=O)O%16)([n]%16c(cccc%16C(=O)O%19)C(=O)O%18)([n]%14%15)O%13)([O]=C%13c%14cccc%15C(=[O][Nd]([O]=C(c%16cccc(C(=O)O3)[n]6%16)O8)([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2])O[Ce]368%16([n]%17c(cccc%17C(=O)O6)C(=O)O3)([n]3c(cccc3C(=O)O%16)C(=O)O8)([n]%14%15)O%13)(O%12)([OH2])([OH2])([OH2])[OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2])O[Ce]368%12([n]%13c(cccc%13C(=O)O6)C(=O)O3)([n]3c(cccc3C(=O)O%12)C(=O)O8)([n]%10%11)O9)([OH2])([OH2])([OH2])[OH2])c3cccc(C(=O)O7)[n]43)[n]2c(ccc1)C(=O)O5.O.O.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: 14.8485 ± 0.0006 Å
• b: 15.1267 ± 0.0006 Å
• c: 17.5505 ± 0.0007 Å
• α: 106.557 ± 0.001°
• β: 100.907 ± 0.001°
• γ: 100.926 ± 0.001°
• Cell volume: 3584 ± 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: 0.0409
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No