Information card for entry 4348043

Structure parameters

• Chemical name: Na2[(C13H9NO8)Ni(H2O)] 6(H2O)
• Formula: C13 H23 N Na2 Ni O15
• Calculated formula: C13 H23 N Na2 Ni O15
• SMILES: C1(=O)C2(C(=O)O[Ni]34([n]5c2cccc5C(C)(C(=O)O3)C(=O)O4)(O1)[OH2])C.[Na+].O.[Na+].O.O.O.O.O
• Title of publication: Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.
• Authors of publication: Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 15
• Pages of publication: 7527 - 7534
• a: 7.2909 ± 0.0016 Å
• b: 10.357 ± 0.002 Å
• c: 13.365 ± 0.003 Å
• α: 96.831 ± 0.003°
• β: 91.503 ± 0.003°
• γ: 90.596 ± 0.003°
• Cell volume: 1001.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0393
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No