Information card for entry 2202844

Structure parameters

• Formula: C40 H52 N8 Ni2 O14
• Calculated formula: C40 H52 N8 Ni2 O14
• SMILES: c12c(cccc1)[N]13CCc4[n](cccc4)[Ni]43([n]3c(cccc3)CC1)([O]2[Ni]123([N](c5c(cccc5)[O]43)(CCc3[n]1cccc3)CCc1[n]2cccc1)[OH2])[OH2].N(=O)(=O)[O-].O.O.N(=O)(=O)[O-].O.O
• Title of publication: Bis[μ-2-{bis(2-pyridylethyl)amino}phenolato]bis[aquanickel(II)] dinitrate tetrahydrate
• Authors of publication: Pal Chaudhuri, Urmila; Varghese, Babu; Murthy, Narasimha N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: m627 - m629
• a: 10.902 ± 0.004 Å
• b: 10.613 ± 0.004 Å
• c: 19.505 ± 0.008 Å
• α: 90°
• β: 103.32 ± 0.03°
• γ: 90°
• Cell volume: 2196.1 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.078
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes