Information card for entry 4348039

Structure parameters

• Chemical name: Cs2[(C13H9NO8)Ni(H2O)]
• Formula: C13 H11 Cs2 N Ni O9
• Calculated formula: C13 H11 Cs2 N Ni O9
• 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: 10.7371 ± 0.0016 Å
• b: 7.9321 ± 0.0012 Å
• c: 19.908 ± 0.003 Å
• α: 90°
• β: 100.781 ± 0.002°
• γ: 90°
• Cell volume: 1665.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0219
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No