Information card for entry 2200076

Structure parameters

• Common name: trans-Bis(pyridine-4-carboxylate)tetraaquonickel(II)
• Chemical name: trans-Bis(pyridine-4-carboxylate)tetraaquonickel(II)
• Formula: C12 H16 N2 Ni O8
• Calculated formula: C12 H16 N2 Ni O8
• SMILES: c1[n](ccc(c1)C(=O)[O-])[Ni]([OH2])([OH2])([n]1ccc(cc1)C(=O)[O-])([OH2])[OH2]
• Title of publication: <i>trans</i>-Tetraaquabis(pyridine-4-carboxylate-κ<i>N</i>)nickel(II)
• Authors of publication: Batten, Stuart R.; Harris, Alexander R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: m7 - m8
• a: 6.2862 ± 0.0003 Å
• b: 6.8598 ± 0.0002 Å
• c: 9.2394 ± 0.0004 Å
• α: 96.511 ± 0.003°
• β: 104.929 ± 0.002°
• γ: 113.692 ± 0.003°
• Cell volume: 341.77 ± 0.03 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.028
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes