Information card for entry 1548205

Structure parameters

• Common name: Californium(III) 2,6-Pyridinedicarboxylic acid
• Formula: C21 H12 Cf N3 O13
• Calculated formula: C21 H12 Cf N3 O13
• SMILES: [Cf]123456(OC(=O)c7[n]4c(ccc7)C(=[O]1)O)([O]=C(O)c1[n]5c(ccc1)C(=O)O2)OC(=O)c1[n]6c(C(=[O]3)O)ccc1.O
• Title of publication: Emergence of californium as the second transitional element in the actinide series
• Authors of publication: Samantha K. Cary; Monica Vasiliu; Ryan E. Baumbach; Jared T. Stritzinger; Thomas D. Green; Kariem Diefenbach; Justin N. Cross; Kenneth L. Knappenberger; Guokui Liu; Mark A. Silver; A. Eugene DePrince; Matthew J. Polinski; Shelley M. Van Cleve; Jane H. House; Naoki Kikugawa; Andrew Gallagher; Alexandra A. Arico; David A. Dixon; Thomas E. Albrecht-Schmitt
• Journal of publication: Nature Communications
• Year of publication: 2015
• Journal volume: 6
• Pages of publication: 6827
• a: 11.7542 ± 0.0004 Å
• b: 13.4315 ± 0.0005 Å
• c: 15.1978 ± 0.0006 Å
• α: 91.118 ± 0.0012°
• β: 95.911 ± 0.0011°
• γ: 103.107 ± 0.0012°
• Cell volume: 2322.17 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No