Information card for entry 4303633

Structure parameters

• Formula: C18 H21 N2 Na2 Ni O10.5
• Calculated formula: C18 H12 N2 Na2 Ni O10.5
• SMILES: c12cc(ccc1C=[N]1CC[N]3=Cc4c(cc(c4)C(=O)[O-])O[Ni]13O2)C(=O)[O-].O.O.O.O.O.[Na+].[Na+]
• Title of publication: Salen-Based Infinite Coordination Polymers of Nickel and Copper
• Authors of publication: Asamanjoy Bhunia; Peter W. Roesky; Yanhua Lan; George E. Kostakis; Annie K. Powell
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10483 - 10485
• a: 8.8599 ± 0.0018 Å
• b: 14.669 ± 0.003 Å
• c: 17.013 ± 0.003 Å
• α: 83.43 ± 0.03°
• β: 77.74 ± 0.03°
• γ: 79.98 ± 0.03°
• Cell volume: 2120.8 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No