Information card for entry 4303813

Structure parameters

• Formula: C84 H126 Ce4 N12 Nd2 O92
• Calculated formula: C84 H124 Ce4 N12 Nd2 O92
• SMILES: [Nd]1([O]=C2c3[n]4[Ce]5678([n]9c(cccc9C(O6)=[O][Nd]([O]=C6c9cccc%10C(=O)O[Ce]%11%12%13%14([n]%15c(cccc%15C(O%12)=[O]1)C(=O)O%11)([n]9%10)([n]1c(cccc1C(=O)O%14)C(=O)O%13)O6)([O]=C1c6cccc9C(=O)O[Ce]%10%11%12%13([n]69)([n]6c(cccc6C(=O)O%11)C(=O)O%10)([n]6c(cccc6C(=O)O%13)C(=O)O%12)O1)([OH2])([OH2])([OH2])([OH2])[OH2])C(=O)O5)([n]1c(cccc1C(=O)O8)C(=O)O7)(O2)OC(=O)c4ccc3)([O]=C1c2cccc3C(=O)O[Ce]4567([n]23)([n]2c(cccc2C(=O)O4)C(=O)O7)([n]2c(C(=O)O5)cccc2C(=O)O6)O1)([OH2])([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.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: 14.3621 ± 0.0012 Å
• b: 16.2103 ± 0.0013 Å
• c: 17.1486 ± 0.0014 Å
• α: 115.652 ± 0.001°
• β: 113.932 ± 0.001°
• γ: 91.899 ± 0.001°
• Cell volume: 3182.2 ± 0.5 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: 0.0652
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No