Information card for entry 4502737

Structure parameters

• Formula: C16 H28 Co2 N2 O18
• Calculated formula: C16 H12 Co2 N2 O18
• SMILES: [Co]12(OC(=O)CC(=[O]1)O[Co]([O]=n1ccc(cc1)c1ccn(=O)cc1)([OH2])([OH2])([OH2])[OH2])(OC(=O)CC(=O)O2)([OH2])[OH2].O.O
• Title of publication: Novel Malonate-Containing Coordination Compounds with Ligands Having N- and NO-Donors: Synthesis, Structures, and Magnetic Properties
• Authors of publication: Delgado, Fernando S.; Jiménez, Claudio A.; Lorenzo-Luis, Pablo; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Lloret, Frances; Julve, Miguel; Ruiz-Pérez, Catalina
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 599
• a: 7.308 ± 0.003 Å
• b: 32.068 ± 0.007 Å
• c: 10.378 ± 0.002 Å
• α: 90°
• β: 93.66 ± 0.02°
• γ: 90°
• Cell volume: 2427.2 ± 1.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1934
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No