Information card for entry 4337332

Structure parameters

• Formula: C22 H36 Cl4 N8 Ni2 O10
• Calculated formula: C22 H36 Cl4 N8 Ni2 O10
• SMILES: c12cc(cc3C[NH]4CC[NH]5CC[NH](C2)[Ni]245([n]13)[Cl][Ni]134([NH]5Cc6cc(cc([n]46)C[NH]3CC[NH]1CC5)O)[Cl]2)O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Structural, Spectral, and Electrochemical Properties of Nickel(II), Copper(II), and Zinc(II) Complexes Containing 12-Membered Pyridine- and Pyridol-Based Tetra-aza Macrocycles.
• Authors of publication: Lincoln, Kimberly M.; Offutt, Michael E.; Hayden, Travis D.; Saunders, Ryker E.; Green, Kayla N.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1406 - 1416
• a: 7.065 ± 0.004 Å
• b: 10.659 ± 0.007 Å
• c: 11.799 ± 0.007 Å
• α: 72.958 ± 0.016°
• β: 80.072 ± 0.016°
• γ: 78.071 ± 0.017°
• Cell volume: 825.2 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 373.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No