Information card for entry 7000627

Structure parameters

• Formula: C20 H34 N4 Ni3 O22
• Calculated formula: C20 H34 N4 Ni3 O22
• Title of publication: Coordination polymers with pyridine-2,4,6-tricarboxylic acid and alkaline-earth/lanthanide/transition metals: synthesis and X-ray structures
• Authors of publication: Das, Madhab C.; Ghosh, Sujit K.; Sañudo, E. Carolina; Bharadwaj, Parimal K.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 9
• Pages of publication: 1644 - 1658
• a: 7.472 ± 0.003 Å
• b: 8.752 ± 0.004 Å
• c: 11.646 ± 0.004 Å
• α: 92.638 ± 0.005°
• β: 101.187 ± 0.004°
• γ: 90.541 ± 0.005°
• Cell volume: 746.2 ± 0.5 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0339
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No