Information card for entry 2019518

Structure parameters

• Chemical name: Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)nickel(II) pentahydrate
• Formula: C22 H26 N4 Ni O9
• Calculated formula: C22 H26 N4 Ni O9
• SMILES: [Ni]123([n]4c(cccc4)c4cccc[n]14)([n]1c(cccc1)c1cccc[n]21)OC(=O)C(=O)O3.O.O.O.O.O
• Title of publication: Synthesis, characterization and crystal structure of the new pentahydrate of bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)nickel(II)
• Authors of publication: Farkašová, Nela; Černák, Juraj; Tomás, Milagros; Falvello, Larry R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: 477 - 481
• a: 10.7474 ± 0.0004 Å
• b: 22.7052 ± 0.0009 Å
• c: 9.9647 ± 0.0005 Å
• α: 90°
• β: 103.39 ± 0.004°
• γ: 90°
• Cell volume: 2365.5 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes