Information card for entry 4309939

Structure parameters

• Formula: C44 H28 N4 Ni3 O12
• Calculated formula: C44 H28 N4 Ni3 O12
• 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: 9.6254 ± 0.0018 Å
• b: 17.98 ± 0.003 Å
• c: 25.131 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4349.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No