Information card for entry 7055250

Structure parameters

• Formula: C21 H36 Cl2 N4 Ni2 O10
• Calculated formula: C21 H36 Cl2 N4 Ni2 O10
• SMILES: [Ni]1234[N](=Cc5c6[O]2[Ni]21([N](=Cc6cc(c5)C)CC[N]2(CC)CC)[OH]4)CC[N]3(CC)CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Dinuclear nickel complexes of divergent Ni⋯Ni separation showing ancillary ligand addition and bio-macromolecular interaction
• Authors of publication: Mahapatra, Tufan Singha; Chaudhury, Susmitnarayan; Dasgupta, Swagata; Bertolasi, Valerio; Ray, Debashis
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 3
• Pages of publication: 2268
• a: 7.5074 ± 0.0006 Å
• b: 15.984 ± 0.0013 Å
• c: 23.982 ± 0.002 Å
• α: 90°
• β: 96.482 ± 0.003°
• γ: 90°
• Cell volume: 2859.4 ± 0.4 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.1263
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.2066
• Weighted residual factors for all reflections included in the refinement: 0.228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No