Information card for entry 2201905

Structure parameters

• Chemical name: Bis(4,4'-bipyridine)-tetraaquacobalt(II) 2,6-naphathalenedicarboxylate dihydrate
• Formula: C32 H34 Co N4 O10
• Calculated formula: C32 H34 Co N4 O10
• SMILES: C(=O)(c1cc2ccc(C(=O)[O-])cc2cc1)[O-].[Co]([n]1ccc(cc1)c1ccncc1)([n]1ccc(cc1)c1ccncc1)([OH2])([OH2])([OH2])[OH2].O.O
• Title of publication: Bis(4,4'-bipyridine)tetraaquacobalt(II) 2,6-naphathalenedicarboxylate dihydrate
• Authors of publication: Almeida Paz, Filipe A.; Khimyak, Yaroslav Z.; Klinowski, Jacek
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: m8 - m10
• a: 6.9856 ± 0.0005 Å
• b: 9.2926 ± 0.0011 Å
• c: 12.3538 ± 0.0014 Å
• α: 78.585 ± 0.005°
• β: 84.015 ± 0.007°
• γ: 73.74 ± 0.007°
• Cell volume: 753.62 ± 0.14 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0662
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes