Information card for entry 4309937

Structure parameters

• Formula: C28 H24 N4 Ni O6
• Calculated formula: C28 H20 N4 Ni O6
• Title of publication: Influence of the Reaction Temperature and pH on the Coordination Modes of the 1,4-Benzenedicarboxylate (BDC) Ligand: A Case Study of the NiII(BDC)/2,2'-Bipyridine System
• Authors of publication: Yong Bok Go; Xiqu Wang; Ekaterina V. Anokhina; Allan J. Jacobson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8265 - 8271
• a: 14.266 ± 0.002 Å
• b: 10.6915 ± 0.0015 Å
• c: 17.171 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2619 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No