Information card for entry 7014438

Structure parameters

• Formula: C14 H14 Ca N2 O11
• Calculated formula: C14 H14 Ca N2 O11
• Title of publication: Heteronuclear (Co-Ca, Co-Ba) 2,3-pyridinedicarboxylate complexes: synthesis, structure and physico-chemical properties.
• Authors of publication: Lazarescu, Ana; Shova, Sergiu; Bartolome, Juan; Alonso, Pablo; Arauzo, Ana; Balu, Alina M.; Simonov, Yuri A.; Gdaniec, Maria; Turta, Constantin; Filoti, George; Luque, Rafael
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 2
• Pages of publication: 463 - 471
• a: 6.6149 ± 0.0013 Å
• b: 30.137 ± 0.006 Å
• c: 8.2217 ± 0.0016 Å
• α: 90°
• β: 90.14 ± 0.03°
• γ: 90°
• Cell volume: 1639 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.0938
• Weighted residual factors for significantly intense reflections: 0.2235
• Weighted residual factors for all reflections included in the refinement: 0.2254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No